NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
481295 |
1bjx   |
4156 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bjx
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 1699
_Distance_constraint_stats_list.Viol_count 2626
_Distance_constraint_stats_list.Viol_total 6078.223
_Distance_constraint_stats_list.Viol_max 0.796
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0964
_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 1 ALA 0.770 0.542 3 1 "[ + . 1 . 2 ]"
1 2 ALA 0.095 0.037 21 0 "[ . 1 . 2 ]"
1 3 THR 1.057 0.182 16 0 "[ . 1 . 2 ]"
1 4 THR 0.311 0.070 17 0 "[ . 1 . 2 ]"
1 5 LEU 5.189 0.697 21 4 "[ . 1 * .- 2+ * ]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 ASP 7.115 0.522 14 1 "[ . 1 +. 2 ]"
1 8 GLY 6.521 0.675 24 2 "[ . 1 . - 2 +]"
1 9 ALA 0.904 0.250 12 0 "[ . 1 . 2 ]"
1 10 ALA 3.446 0.553 9 2 "[ . +1 .- 2 ]"
1 11 ALA 1.817 0.522 14 1 "[ . 1 +. 2 ]"
1 12 GLU 6.555 0.710 18 2 "[ . 1 . + 2- ]"
1 13 SER 2.263 0.460 11 0 "[ . 1 . 2 ]"
1 14 LEU 10.031 0.697 21 5 "[ . *1 * .- 2+ * ]"
1 15 VAL 2.950 0.469 21 0 "[ . 1 . 2 ]"
1 16 GLU 0.990 0.469 21 0 "[ . 1 . 2 ]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 SER 0.050 0.027 21 0 "[ . 1 . 2 ]"
1 19 GLU 6.179 0.430 11 0 "[ . 1 . 2 ]"
1 20 VAL 1.757 0.147 24 0 "[ . 1 . 2 ]"
1 21 ALA 0.101 0.027 20 0 "[ . 1 . 2 ]"
1 22 VAL 1.511 0.182 16 0 "[ . 1 . 2 ]"
1 23 ILE 6.507 0.610 17 2 "[ . 1- . + 2 ]"
1 24 GLY 0.574 0.098 4 0 "[ . 1 . 2 ]"
1 25 PHE 2.268 0.311 24 0 "[ . 1 . 2 ]"
1 26 PHE 6.123 0.402 5 0 "[ . 1 . 2 ]"
1 27 LYS 4.989 0.282 11 0 "[ . 1 . 2 ]"
1 28 ASP 6.645 0.536 24 1 "[ . 1 . 2 +]"
1 29 VAL 2.050 0.311 24 0 "[ . 1 . 2 ]"
1 30 GLU 4.637 0.508 7 1 "[ . + 1 . 2 ]"
1 31 SER 5.202 0.536 24 1 "[ . 1 . 2 +]"
1 32 ASP 1.395 0.326 19 0 "[ . 1 . 2 ]"
1 33 SER 1.142 0.326 19 0 "[ . 1 . 2 ]"
1 34 ALA 0.553 0.084 5 0 "[ . 1 . 2 ]"
1 35 LYS 2.827 0.753 10 1 "[ . + . 2 ]"
1 36 GLN 2.612 0.107 6 0 "[ . 1 . 2 ]"
1 37 PHE 4.675 0.402 5 0 "[ . 1 . 2 ]"
1 38 LEU 3.591 0.126 22 0 "[ . 1 . 2 ]"
1 39 GLN 1.418 0.285 3 0 "[ . 1 . 2 ]"
1 40 ALA 0.448 0.195 23 0 "[ . 1 . 2 ]"
1 41 ALA 0.032 0.015 7 0 "[ . 1 . 2 ]"
1 42 GLU 10.000 0.542 3 1 "[ + . 1 . 2 ]"
1 43 ALA 5.703 0.665 23 1 "[ . 1 . 2 + ]"
1 44 ILE 2.039 0.665 23 1 "[ . 1 . 2 + ]"
1 45 ASP 1.552 0.617 19 1 "[ . 1 . +2 ]"
1 46 ASP 1.087 0.138 21 0 "[ . 1 . 2 ]"
1 47 ILE 2.997 0.617 19 1 "[ . 1 . +2 ]"
1 48 PRO 1.341 0.300 21 0 "[ . 1 . 2 ]"
1 49 PHE 1.978 0.285 3 0 "[ . 1 . 2 ]"
1 50 GLY 10.493 0.697 21 6 "[ . 1** .-* 2+ * ]"
1 51 ILE 1.521 0.253 22 0 "[ . 1 . 2 ]"
1 52 THR 13.266 0.553 9 2 "[ . +1 .- 2 ]"
1 53 SER 3.856 0.142 14 0 "[ . 1 . 2 ]"
1 54 ASN 4.978 0.193 20 0 "[ . 1 . 2 ]"
1 55 SER 0.889 0.123 17 0 "[ . 1 . 2 ]"
1 56 ASP 0.870 0.084 17 0 "[ . 1 . 2 ]"
1 57 VAL 0.245 0.024 22 0 "[ . 1 . 2 ]"
1 58 PHE 16.206 0.629 17 24 [****************+****-**]
1 59 SER 1.684 0.123 17 0 "[ . 1 . 2 ]"
1 60 LYS 11.743 0.675 24 3 "[ . 1 *. - 2 +]"
1 61 TYR 10.205 0.775 15 3 "[ - 1 + 2 * ]"
1 62 GLN 0.286 0.094 2 0 "[ . 1 . 2 ]"
1 63 LEU 8.696 0.728 20 8 "[** .* 1 * ** + - ]"
1 64 ASP 0.529 0.333 24 0 "[ . 1 . 2 ]"
1 65 LYS 9.076 0.728 20 8 "[** .* 1 * ** + - ]"
1 66 ASP 4.933 0.532 8 2 "[ . + - . 2 ]"
1 67 GLY 2.693 0.532 8 2 "[ . + - . 2 ]"
1 68 VAL 4.635 0.786 23 1 "[ . 1 . 2 + ]"
1 69 VAL 4.212 0.775 15 3 "[ - 1 + 2 * ]"
1 70 LEU 6.263 0.190 13 0 "[ . 1 . 2 ]"
1 71 PHE 8.224 0.590 1 1 "[+ . 1 . 2 ]"
1 72 LYS 6.262 0.389 2 0 "[ . 1 . 2 ]"
1 73 LYS 14.919 0.796 15 5 "[ -. 1 ** + 2 * ]"
1 74 PHE 13.255 0.413 15 0 "[ . 1 . 2 ]"
1 75 ASP 17.785 0.546 15 1 "[ . 1 + 2 ]"
1 76 GLU 12.363 0.780 7 3 "[ . +*-1 . 2 ]"
1 77 GLY 0.063 0.013 21 0 "[ . 1 . 2 ]"
1 78 ARG 8.149 0.780 7 5 "[* . +**1 . 2 - ]"
1 79 ASN 12.563 0.579 22 1 "[ . 1 . 2 + ]"
1 80 ASN 3.216 0.105 24 0 "[ . 1 . 2 ]"
1 81 PHE 6.522 0.786 23 1 "[ . 1 . 2 + ]"
1 82 GLU 6.792 0.397 22 0 "[ . 1 . 2 ]"
1 83 GLY 1.358 0.189 5 0 "[ . 1 . 2 ]"
1 84 GLU 0.517 0.191 19 0 "[ . 1 . 2 ]"
1 85 VAL 0.701 0.360 23 0 "[ . 1 . 2 ]"
1 86 THR 1.334 0.422 23 0 "[ . 1 . 2 ]"
1 87 LYS 3.892 0.577 20 1 "[ . 1 . + ]"
1 88 GLU 3.826 0.700 20 2 "[ . 1 . - + ]"
1 89 ASN 8.489 0.700 20 2 "[ . 1 . - + ]"
1 90 LEU 0.116 0.024 14 0 "[ . 1 . 2 ]"
1 91 LEU 1.441 0.665 23 1 "[ . 1 . 2 + ]"
1 92 ASP 1.200 0.577 20 1 "[ . 1 . + ]"
1 93 PHE 1.037 0.109 23 0 "[ . 1 . 2 ]"
1 94 ILE 10.678 0.617 19 1 "[ . 1 . +2 ]"
1 95 LYS 8.174 0.616 11 4 "[ . - 1+ .* 2* ]"
1 96 HIS 0.915 0.226 22 0 "[ . 1 . 2 ]"
1 97 ASN 6.864 0.329 6 0 "[ . 1 . 2 ]"
1 98 GLN 0.590 0.273 8 0 "[ . 1 . 2 ]"
1 99 LEU 0.838 0.273 8 0 "[ . 1 . 2 ]"
1 100 PRO 1.138 0.546 15 1 "[ . 1 + 2 ]"
1 101 LEU 3.005 0.278 13 0 "[ . 1 . 2 ]"
1 102 VAL 1.741 0.180 21 0 "[ . 1 . 2 ]"
1 103 ILE 0.218 0.218 22 0 "[ . 1 . 2 ]"
1 104 GLU 0.218 0.218 22 0 "[ . 1 . 2 ]"
1 105 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 108 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 ALA H 2.800 . 3.900 2.686 2.302 3.593 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 ALA HA 1 2 ALA MB 4.000 . 5.500 4.054 3.831 4.514 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 ALA HA 1 41 ALA MB 3.000 . 3.500 3.195 2.532 3.515 0.015 7 0 "[ . 1 . 2 ]" 1
4 1 1 ALA HA 1 42 GLU HG2 4.000 . 5.000 3.191 2.011 5.196 0.196 3 0 "[ . 1 . 2 ]" 1
5 1 1 ALA HA 1 42 GLU HG3 4.000 . 5.000 3.616 1.955 5.542 0.542 3 1 "[ + . 1 . 2 ]" 1
6 1 1 ALA MB 1 2 ALA H 2.400 . 3.000 2.315 1.956 2.933 . 0 0 "[ . 1 . 2 ]" 1
7 1 1 ALA MB 1 41 ALA H 4.300 . 6.000 4.607 3.823 5.011 . 0 0 "[ . 1 . 2 ]" 1
8 1 2 ALA H 1 2 ALA MB 2.200 . 2.700 2.153 1.920 2.573 . 0 0 "[ . 1 . 2 ]" 1
9 1 2 ALA H 1 38 LEU QD 3.700 . 5.400 2.990 2.095 5.222 . 0 0 "[ . 1 . 2 ]" 1
10 1 2 ALA H 1 41 ALA MB 3.300 . 4.700 3.484 2.323 4.456 . 0 0 "[ . 1 . 2 ]" 1
11 1 2 ALA HA 1 3 THR H 2.300 . 2.800 2.518 2.262 2.753 . 0 0 "[ . 1 . 2 ]" 1
12 1 2 ALA HA 1 41 ALA MB 4.000 . 5.000 3.581 3.003 4.444 . 0 0 "[ . 1 . 2 ]" 1
13 1 2 ALA HA 1 49 PHE HB2 4.000 . 5.000 2.679 2.267 3.446 . 0 0 "[ . 1 . 2 ]" 1
14 1 2 ALA HA 1 49 PHE HB3 4.000 . 5.000 2.981 2.271 4.739 . 0 0 "[ . 1 . 2 ]" 1
15 1 2 ALA MB 1 3 THR H 2.600 . 3.300 2.466 2.039 3.015 . 0 0 "[ . 1 . 2 ]" 1
16 1 2 ALA MB 1 39 GLN H 4.200 . 6.000 4.912 4.324 5.253 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 ALA MB 1 41 ALA H 3.800 . 5.500 4.271 4.093 4.489 . 0 0 "[ . 1 . 2 ]" 1
18 1 2 ALA MB 1 41 ALA MB 4.000 . 5.000 2.704 2.083 3.502 . 0 0 "[ . 1 . 2 ]" 1
19 1 2 ALA MB 1 42 GLU H 4.400 . 6.000 5.143 4.812 5.563 . 0 0 "[ . 1 . 2 ]" 1
20 1 2 ALA MB 1 49 PHE HB2 4.000 . 5.000 3.072 2.030 3.888 . 0 0 "[ . 1 . 2 ]" 1
21 1 2 ALA MB 1 49 PHE HB3 4.000 . 5.000 2.349 1.915 3.960 . 0 0 "[ . 1 . 2 ]" 1
22 1 2 ALA MB 1 49 PHE QD 3.000 . 3.500 3.323 2.683 3.537 0.037 21 0 "[ . 1 . 2 ]" 1
23 1 2 ALA MB 1 50 GLY HA2 4.000 . 5.000 2.867 2.119 3.433 . 0 0 "[ . 1 . 2 ]" 1
24 1 2 ALA MB 1 50 GLY HA3 4.000 . 5.000 4.184 3.375 4.709 . 0 0 "[ . 1 . 2 ]" 1
25 1 2 ALA MB 1 51 ILE H 2.900 . 4.000 3.303 2.776 3.683 . 0 0 "[ . 1 . 2 ]" 1
26 1 2 ALA MB 1 51 ILE HB 4.000 . 5.000 2.867 2.255 3.587 . 0 0 "[ . 1 . 2 ]" 1
27 1 3 THR H 1 3 THR HA 2.900 . 3.700 2.974 2.909 3.002 . 0 0 "[ . 1 . 2 ]" 1
28 1 3 THR H 1 3 THR HB 2.500 . 3.100 2.641 2.264 3.076 . 0 0 "[ . 1 . 2 ]" 1
29 1 3 THR H 1 3 THR MG 2.900 . 3.700 2.316 1.894 3.727 0.027 11 0 "[ . 1 . 2 ]" 1
30 1 3 THR H 1 50 GLY HA2 2.700 . 3.400 1.997 1.865 2.147 . 0 0 "[ . 1 . 2 ]" 1
31 1 3 THR H 1 50 GLY HA3 2.900 . 3.700 3.605 3.431 3.734 0.034 7 0 "[ . 1 . 2 ]" 1
32 1 3 THR HA 1 4 THR H 2.100 . 2.500 2.413 2.212 2.503 0.003 14 0 "[ . 1 . 2 ]" 1
33 1 3 THR HA 1 4 THR HB 4.000 . 5.500 4.777 4.496 5.056 . 0 0 "[ . 1 . 2 ]" 1
34 1 3 THR HB 1 5 LEU MD2 4.000 . 5.000 4.540 3.182 4.996 . 0 0 "[ . 1 . 2 ]" 1
35 1 3 THR HB 1 50 GLY HA2 4.000 . 5.000 3.584 1.914 4.169 . 0 0 "[ . 1 . 2 ]" 1
36 1 3 THR HB 1 50 GLY HA3 4.000 . 5.000 4.551 2.557 5.039 0.039 20 0 "[ . 1 . 2 ]" 1
37 1 3 THR MG 1 4 THR H 2.700 . 3.400 3.311 2.844 3.460 0.060 17 0 "[ . 1 . 2 ]" 1
38 1 3 THR MG 1 5 LEU MD2 3.000 . 3.500 2.326 1.941 2.646 . 0 0 "[ . 1 . 2 ]" 1
39 1 3 THR MG 1 50 GLY H 3.200 . 4.500 3.916 3.594 4.682 0.182 16 0 "[ . 1 . 2 ]" 1
40 1 3 THR MG 1 50 GLY HA2 4.000 . 5.500 2.167 1.780 3.649 0.020 14 0 "[ . 1 . 2 ]" 1
41 1 4 THR H 1 4 THR HA 2.900 . 3.700 2.969 2.854 3.001 . 0 0 "[ . 1 . 2 ]" 1
42 1 4 THR H 1 4 THR HB 2.300 . 2.800 2.539 2.346 2.759 . 0 0 "[ . 1 . 2 ]" 1
43 1 4 THR H 1 4 THR MG 3.000 . 3.900 3.771 3.699 3.835 . 0 0 "[ . 1 . 2 ]" 1
44 1 4 THR H 1 5 LEU QD 3.800 . 5.500 4.519 4.197 4.854 . 0 0 "[ . 1 . 2 ]" 1
45 1 4 THR H 1 51 ILE MG 3.500 . 5.000 4.436 3.338 4.878 . 0 0 "[ . 1 . 2 ]" 1
46 1 4 THR HA 1 5 LEU H 2.300 . 2.800 2.240 2.207 2.273 . 0 0 "[ . 1 . 2 ]" 1
47 1 4 THR HA 1 51 ILE H 2.700 . 3.400 3.261 2.883 3.470 0.070 17 0 "[ . 1 . 2 ]" 1
48 1 4 THR HA 1 51 ILE MG 3.000 . 3.800 2.754 1.919 3.061 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 THR HB 1 5 LEU H 3.300 . 4.700 4.308 4.097 4.467 . 0 0 "[ . 1 . 2 ]" 1
50 1 4 THR MG 1 5 LEU H 2.600 . 3.300 3.085 2.375 3.311 0.011 1 0 "[ . 1 . 2 ]" 1
51 1 4 THR MG 1 6 PRO HD3 4.000 . 5.500 4.650 4.068 5.284 . 0 0 "[ . 1 . 2 ]" 1
52 1 4 THR MG 1 7 ASP H 4.200 . 6.000 5.169 4.873 5.448 . 0 0 "[ . 1 . 2 ]" 1
53 1 4 THR MG 1 51 ILE H 3.300 . 4.700 4.184 4.006 4.308 . 0 0 "[ . 1 . 2 ]" 1
54 1 4 THR MG 1 54 ASN HB2 4.000 . 5.500 4.280 3.992 5.515 0.015 20 0 "[ . 1 . 2 ]" 1
55 1 5 LEU H 1 5 LEU HB2 2.800 . 3.900 2.442 2.320 2.567 . 0 0 "[ . 1 . 2 ]" 1
56 1 5 LEU H 1 5 LEU HB3 2.900 . 4.000 3.591 3.534 3.742 . 0 0 "[ . 1 . 2 ]" 1
57 1 5 LEU H 1 5 LEU MD1 2.800 . 3.900 3.070 2.182 3.391 . 0 0 "[ . 1 . 2 ]" 1
58 1 5 LEU H 1 5 LEU HG 2.600 . 3.600 2.199 1.947 2.870 . 0 0 "[ . 1 . 2 ]" 1
59 1 5 LEU H 1 51 ILE H 3.000 . 3.900 3.341 2.851 3.936 0.036 17 0 "[ . 1 . 2 ]" 1
60 1 5 LEU H 1 51 ILE MG 2.900 . 4.000 3.800 3.341 3.995 . 0 0 "[ . 1 . 2 ]" 1
61 1 5 LEU H 1 52 THR HB 3.200 . 4.500 2.730 2.164 4.770 0.270 17 0 "[ . 1 . 2 ]" 1
62 1 5 LEU HA 1 6 PRO HD2 3.000 . 3.500 2.199 2.025 2.337 . 0 0 "[ . 1 . 2 ]" 1
63 1 5 LEU HA 1 6 PRO HD3 3.000 . 3.500 2.311 2.235 2.492 . 0 0 "[ . 1 . 2 ]" 1
64 1 5 LEU HA 1 7 ASP H 3.500 . 4.700 3.973 3.544 4.362 . 0 0 "[ . 1 . 2 ]" 1
65 1 5 LEU HA 1 10 ALA MB 3.000 . 3.500 2.769 2.277 3.250 . 0 0 "[ . 1 . 2 ]" 1
66 1 5 LEU HA 1 11 ALA H 4.400 . 6.000 5.737 5.030 5.982 . 0 0 "[ . 1 . 2 ]" 1
67 1 5 LEU HB2 1 52 THR HG1 4.000 . 5.000 3.279 2.933 3.777 . 0 0 "[ . 1 . 2 ]" 1
68 1 5 LEU HB2 1 52 THR MG 4.000 . 5.000 2.489 1.842 2.939 . 0 0 "[ . 1 . 2 ]" 1
69 1 5 LEU HB3 1 7 ASP H 3.800 . 5.200 3.330 2.991 3.837 . 0 0 "[ . 1 . 2 ]" 1
70 1 5 LEU HB3 1 11 ALA H 3.700 . 5.400 3.756 3.342 4.030 . 0 0 "[ . 1 . 2 ]" 1
71 1 5 LEU HB3 1 11 ALA HA 4.000 . 5.500 4.466 4.052 4.794 . 0 0 "[ . 1 . 2 ]" 1
72 1 5 LEU HB3 1 52 THR H 3.000 . 4.200 3.701 3.427 4.225 0.025 22 0 "[ . 1 . 2 ]" 1
73 1 5 LEU HB3 1 52 THR HG1 4.000 . 5.000 4.436 4.052 4.977 . 0 0 "[ . 1 . 2 ]" 1
74 1 5 LEU QD 1 11 ALA H 3.200 . 4.500 3.275 2.992 3.581 . 0 0 "[ . 1 . 2 ]" 1
75 1 5 LEU QD 1 13 SER H 4.200 . 6.000 4.948 4.643 5.303 . 0 0 "[ . 1 . 2 ]" 1
76 1 5 LEU QD 1 14 LEU H 2.900 . 4.000 3.701 3.462 3.904 . 0 0 "[ . 1 . 2 ]" 1
77 1 5 LEU MD1 1 11 ALA HA 4.000 . 5.500 2.786 2.137 3.890 . 0 0 "[ . 1 . 2 ]" 1
78 1 5 LEU MD1 1 11 ALA MB 3.000 . 3.800 3.029 2.200 3.628 . 0 0 "[ . 1 . 2 ]" 1
79 1 5 LEU MD1 1 11 ALA MB 3.000 . 3.800 2.905 2.180 3.285 . 0 0 "[ . 1 . 2 ]" 1
80 1 5 LEU MD1 1 23 ILE H 3.400 . 4.900 4.406 4.036 4.877 . 0 0 "[ . 1 . 2 ]" 1
81 1 5 LEU MD1 1 23 ILE MD 3.000 . 3.800 2.202 1.793 2.949 0.007 20 0 "[ . 1 . 2 ]" 1
82 1 5 LEU MD1 1 24 GLY H 3.000 . 4.200 4.066 3.742 4.298 0.098 4 0 "[ . 1 . 2 ]" 1
83 1 5 LEU MD1 1 50 GLY H 2.500 . 3.400 3.466 2.972 4.097 0.697 21 4 "[ . 1 * .- 2+ * ]" 1
84 1 5 LEU MD1 1 26 PHE H 3.000 . 4.200 4.189 4.045 4.281 0.081 17 0 "[ . 1 . 2 ]" 1
85 1 5 LEU MD1 1 50 GLY HA2 4.000 . 5.000 3.580 2.913 4.482 . 0 0 "[ . 1 . 2 ]" 1
86 1 5 LEU MD1 1 50 GLY HA3 4.000 . 5.000 2.427 1.942 3.289 . 0 0 "[ . 1 . 2 ]" 1
87 1 5 LEU MD1 1 51 ILE H 2.700 . 3.700 3.013 2.013 3.694 . 0 0 "[ . 1 . 2 ]" 1
88 1 5 LEU MD2 1 6 PRO HD2 4.000 . 5.500 3.027 2.541 3.706 . 0 0 "[ . 1 . 2 ]" 1
89 1 5 LEU MD2 1 6 PRO HD3 4.000 . 5.500 3.688 3.386 4.566 . 0 0 "[ . 1 . 2 ]" 1
90 1 5 LEU MD2 1 10 ALA MB 3.000 . 3.500 1.842 1.779 2.180 0.021 20 0 "[ . 1 . 2 ]" 1
91 1 5 LEU MD2 1 15 VAL H 2.800 . 3.900 3.560 2.571 3.920 0.020 17 0 "[ . 1 . 2 ]" 1
92 1 5 LEU HG 1 51 ILE MD 4.000 . 5.500 5.161 4.781 5.530 0.030 22 0 "[ . 1 . 2 ]" 1
93 1 5 LEU HG 1 50 GLY HA3 4.000 . 5.500 3.463 3.104 3.988 . 0 0 "[ . 1 . 2 ]" 1
94 1 5 LEU HG 1 51 ILE H 2.600 . 3.600 3.107 2.528 3.609 0.009 7 0 "[ . 1 . 2 ]" 1
95 1 6 PRO HA 1 7 ASP H 3.300 . 4.400 3.550 3.478 3.604 . 0 0 "[ . 1 . 2 ]" 1
96 1 6 PRO HB2 1 7 ASP H 3.600 . 4.900 3.249 2.844 3.629 . 0 0 "[ . 1 . 2 ]" 1
97 1 6 PRO HD2 1 7 ASP H 3.000 . 3.900 2.579 2.442 2.824 . 0 0 "[ . 1 . 2 ]" 1
98 1 6 PRO HD2 1 10 ALA H 3.800 . 5.500 3.940 3.706 4.337 . 0 0 "[ . 1 . 2 ]" 1
99 1 6 PRO HD2 1 10 ALA MB 3.000 . 3.500 1.852 1.808 1.908 . 0 0 "[ . 1 . 2 ]" 1
100 1 6 PRO HD3 1 7 ASP H 3.200 . 4.500 3.809 3.724 3.940 . 0 0 "[ . 1 . 2 ]" 1
101 1 6 PRO HD3 1 10 ALA H 3.500 . 5.000 3.566 3.455 3.685 . 0 0 "[ . 1 . 2 ]" 1
102 1 6 PRO HD3 1 10 ALA MB 4.000 . 5.000 3.164 3.061 3.290 . 0 0 "[ . 1 . 2 ]" 1
103 1 6 PRO QG 1 7 ASP H 2.800 . 3.600 2.320 1.936 2.769 . 0 0 "[ . 1 . 2 ]" 1
104 1 6 PRO QG 1 9 ALA H 3.800 . 5.500 4.680 4.376 4.895 . 0 0 "[ . 1 . 2 ]" 1
105 1 6 PRO QG 1 10 ALA H 3.600 . 5.200 3.851 3.468 4.267 . 0 0 "[ . 1 . 2 ]" 1
106 1 6 PRO QG 1 10 ALA MB 4.000 . 5.000 2.662 2.155 2.990 . 0 0 "[ . 1 . 2 ]" 1
107 1 6 PRO QG 1 11 ALA H 3.500 . 5.000 4.300 3.905 4.452 . 0 0 "[ . 1 . 2 ]" 1
108 1 7 ASP H 1 7 ASP HA 3.000 . 3.900 2.925 2.857 2.985 . 0 0 "[ . 1 . 2 ]" 1
109 1 7 ASP H 1 7 ASP HB2 3.700 . 5.100 3.803 3.547 3.931 . 0 0 "[ . 1 . 2 ]" 1
110 1 7 ASP H 1 7 ASP HB3 3.400 . 4.600 3.739 3.501 3.886 . 0 0 "[ . 1 . 2 ]" 1
111 1 7 ASP H 1 8 GLY H 3.200 . 4.500 4.362 4.344 4.375 . 0 0 "[ . 1 . 2 ]" 1
112 1 7 ASP H 1 9 ALA H 3.900 . 5.700 4.363 4.031 4.854 . 0 0 "[ . 1 . 2 ]" 1
113 1 7 ASP H 1 10 ALA H 3.300 . 4.400 3.275 3.156 3.411 . 0 0 "[ . 1 . 2 ]" 1
114 1 7 ASP H 1 10 ALA HA 3.800 . 5.500 5.325 5.120 5.481 . 0 0 "[ . 1 . 2 ]" 1
115 1 7 ASP H 1 10 ALA MB 2.500 . 3.100 2.678 2.364 2.967 . 0 0 "[ . 1 . 2 ]" 1
116 1 7 ASP H 1 11 ALA H 3.600 . 4.900 4.611 4.352 4.851 . 0 0 "[ . 1 . 2 ]" 1
117 1 7 ASP H 1 52 THR MG 3.700 . 5.400 5.133 4.574 5.407 0.007 1 0 "[ . 1 . 2 ]" 1
118 1 7 ASP H 1 52 THR MG 4.000 . 5.500 3.902 3.335 4.295 . 0 0 "[ . 1 . 2 ]" 1
119 1 7 ASP H 1 57 VAL MG2 3.600 . 4.900 3.717 3.478 4.000 . 0 0 "[ . 1 . 2 ]" 1
120 1 7 ASP HA 1 8 GLY H 2.300 . 2.800 2.666 2.632 2.692 . 0 0 "[ . 1 . 2 ]" 1
121 1 7 ASP HA 1 9 ALA H 3.800 . 5.200 4.407 4.254 4.656 . 0 0 "[ . 1 . 2 ]" 1
122 1 7 ASP HA 1 54 ASN HD21 2.700 . 3.700 2.271 1.961 2.701 . 0 0 "[ . 1 . 2 ]" 1
123 1 7 ASP HA 1 54 ASN HD22 2.900 . 4.000 3.610 1.991 3.970 . 0 0 "[ . 1 . 2 ]" 1
124 1 7 ASP HA 1 57 VAL MG2 3.000 . 3.500 2.072 1.847 2.454 . 0 0 "[ . 1 . 2 ]" 1
125 1 7 ASP HB2 1 8 GLY H 2.300 . 2.800 2.238 1.872 3.279 0.479 12 0 "[ . 1 . 2 ]" 1
126 1 7 ASP HB2 1 9 ALA H 3.200 . 4.200 3.051 2.491 4.450 0.250 12 0 "[ . 1 . 2 ]" 1
127 1 7 ASP HB2 1 11 ALA H 4.400 . 6.000 5.463 4.697 6.522 0.522 14 1 "[ . 1 +. 2 ]" 1
128 1 7 ASP HB2 1 54 ASN HD21 3.500 . 5.000 3.401 2.207 4.630 . 0 0 "[ . 1 . 2 ]" 1
129 1 7 ASP HB3 1 8 GLY H 2.500 . 3.100 2.883 1.889 3.299 0.199 1 0 "[ . 1 . 2 ]" 1
130 1 7 ASP HB3 1 9 ALA H 3.600 . 4.900 3.851 2.463 4.479 . 0 0 "[ . 1 . 2 ]" 1
131 1 7 ASP HB3 1 10 ALA H 4.300 . 6.000 5.191 4.130 5.613 . 0 0 "[ . 1 . 2 ]" 1
132 1 7 ASP HB3 1 54 ASN HD21 2.600 . 3.600 2.115 1.871 2.347 . 0 0 "[ . 1 . 2 ]" 1
133 1 7 ASP HB3 1 54 ASN HD22 2.700 . 3.700 2.801 2.308 3.248 . 0 0 "[ . 1 . 2 ]" 1
134 1 8 GLY H 1 8 GLY QA 2.200 . 2.700 2.240 2.228 2.260 . 0 0 "[ . 1 . 2 ]" 1
135 1 8 GLY H 1 9 ALA H 2.500 . 3.100 2.665 2.515 2.781 . 0 0 "[ . 1 . 2 ]" 1
136 1 8 GLY H 1 9 ALA MB 3.000 . 4.200 3.891 3.293 4.205 0.005 24 0 "[ . 1 . 2 ]" 1
137 1 8 GLY H 1 10 ALA H 4.200 . 6.000 4.333 4.054 4.501 . 0 0 "[ . 1 . 2 ]" 1
138 1 8 GLY H 1 11 ALA MB 3.200 . 4.500 3.953 3.335 4.314 . 0 0 "[ . 1 . 2 ]" 1
139 1 8 GLY H 1 54 ASN HD21 3.600 . 5.200 4.163 3.310 5.167 . 0 0 "[ . 1 . 2 ]" 1
140 1 8 GLY H 1 57 VAL MG2 2.700 . 3.400 2.571 2.145 3.126 . 0 0 "[ . 1 . 2 ]" 1
141 1 8 GLY QA 1 9 ALA H 3.000 . 3.900 2.817 2.741 2.876 . 0 0 "[ . 1 . 2 ]" 1
142 1 8 GLY QA 1 10 ALA H 3.700 . 5.100 3.605 3.475 3.747 . 0 0 "[ . 1 . 2 ]" 1
143 1 8 GLY QA 1 11 ALA H 3.400 . 4.600 2.916 2.855 2.994 . 0 0 "[ . 1 . 2 ]" 1
144 1 8 GLY QA 1 11 ALA H 2.700 . 3.700 2.566 2.533 2.614 . 0 0 "[ . 1 . 2 ]" 1
145 1 8 GLY QA 1 12 GLU H 3.100 . 4.400 3.339 3.255 3.393 . 0 0 "[ . 1 . 2 ]" 1
146 1 8 GLY QA 1 57 VAL MG1 4.000 . 5.500 2.993 2.314 3.535 . 0 0 "[ . 1 . 2 ]" 1
147 1 8 GLY QA 1 11 ALA MB 3.000 . 3.500 2.151 1.937 2.328 . 0 0 "[ . 1 . 2 ]" 1
148 1 8 GLY QA 1 57 VAL MG2 4.000 . 5.500 2.607 2.175 3.078 . 0 0 "[ . 1 . 2 ]" 1
149 1 8 GLY QA 1 60 LYS HD2 4.000 . 5.000 2.388 1.885 3.588 . 0 0 "[ . 1 . 2 ]" 1
150 1 8 GLY QA 1 60 LYS HD3 . . 3.500 2.909 1.898 4.175 0.675 24 2 "[ . 1 . - 2 +]" 1
151 1 8 GLY QA 1 60 LYS HE2 4.000 . 5.500 3.601 1.942 4.652 . 0 0 "[ . 1 . 2 ]" 1
152 1 8 GLY QA 1 60 LYS HG2 4.000 . 5.000 4.144 2.368 4.699 . 0 0 "[ . 1 . 2 ]" 1
153 1 9 ALA H 1 9 ALA HA 2.700 . 3.400 2.815 2.792 2.843 . 0 0 "[ . 1 . 2 ]" 1
154 1 9 ALA H 1 9 ALA MB 2.300 . 2.800 2.034 1.916 2.144 . 0 0 "[ . 1 . 2 ]" 1
155 1 9 ALA H 1 10 ALA H 2.900 . 3.700 2.791 2.711 2.856 . 0 0 "[ . 1 . 2 ]" 1
156 1 9 ALA H 1 10 ALA MB 3.500 . 5.000 4.389 4.280 4.481 . 0 0 "[ . 1 . 2 ]" 1
157 1 9 ALA H 1 11 ALA H 3.900 . 5.700 4.191 3.986 4.329 . 0 0 "[ . 1 . 2 ]" 1
158 1 9 ALA H 1 57 VAL MG2 3.700 . 5.400 4.442 4.182 4.887 . 0 0 "[ . 1 . 2 ]" 1
159 1 9 ALA HA 1 10 ALA H 2.500 . 3.400 2.809 2.795 2.820 . 0 0 "[ . 1 . 2 ]" 1
160 1 9 ALA HA 1 11 ALA H 3.000 . 4.200 3.413 3.308 3.467 . 0 0 "[ . 1 . 2 ]" 1
161 1 9 ALA HA 1 12 GLU H 2.900 . 3.700 3.503 3.348 3.701 0.001 3 0 "[ . 1 . 2 ]" 1
162 1 9 ALA HA 1 12 GLU QB 3.000 . 3.500 3.468 3.224 3.572 0.072 7 0 "[ . 1 . 2 ]" 1
163 1 9 ALA MB 1 10 ALA H 2.700 . 3.400 2.716 2.526 2.905 . 0 0 "[ . 1 . 2 ]" 1
164 1 9 ALA MB 1 13 SER H 3.800 . 5.500 5.043 4.754 5.281 . 0 0 "[ . 1 . 2 ]" 1
165 1 10 ALA H 1 10 ALA HA 2.600 . 3.300 2.950 2.925 2.960 . 0 0 "[ . 1 . 2 ]" 1
166 1 10 ALA H 1 10 ALA MB 2.400 . 3.000 2.154 1.995 2.215 . 0 0 "[ . 1 . 2 ]" 1
167 1 10 ALA H 1 11 ALA H 2.700 . 3.400 2.343 2.261 2.448 . 0 0 "[ . 1 . 2 ]" 1
168 1 10 ALA H 1 11 ALA MB 3.500 . 5.000 3.848 3.759 4.007 . 0 0 "[ . 1 . 2 ]" 1
169 1 10 ALA H 1 12 GLU H 3.600 . 5.200 3.977 3.805 4.137 . 0 0 "[ . 1 . 2 ]" 1
170 1 10 ALA H 1 14 LEU MD2 3.900 . 5.700 5.836 5.641 6.253 0.553 9 2 "[ . +1 .- 2 ]" 1
171 1 10 ALA HA 1 11 ALA H 3.000 . 3.900 3.534 3.477 3.563 . 0 0 "[ . 1 . 2 ]" 1
172 1 10 ALA HA 1 13 SER H 2.500 . 3.400 2.694 2.596 2.799 . 0 0 "[ . 1 . 2 ]" 1
173 1 10 ALA HA 1 14 LEU H 2.900 . 4.000 3.264 3.081 3.394 . 0 0 "[ . 1 . 2 ]" 1
174 1 10 ALA HA 1 15 VAL H 3.500 . 5.000 4.628 4.401 4.883 . 0 0 "[ . 1 . 2 ]" 1
175 1 10 ALA HA 1 13 SER QB 4.000 . 5.000 2.770 2.216 3.671 . 0 0 "[ . 1 . 2 ]" 1
176 1 10 ALA MB 1 11 ALA H 2.600 . 3.300 2.642 2.493 2.857 . 0 0 "[ . 1 . 2 ]" 1
177 1 11 ALA H 1 11 ALA HA 2.700 . 3.400 2.849 2.810 2.937 . 0 0 "[ . 1 . 2 ]" 1
178 1 11 ALA H 1 11 ALA MB 2.400 . 3.000 2.003 1.911 2.152 . 0 0 "[ . 1 . 2 ]" 1
179 1 11 ALA H 1 12 GLU H 2.700 . 3.400 2.680 2.375 2.799 . 0 0 "[ . 1 . 2 ]" 1
180 1 11 ALA H 1 12 GLU HA 4.000 . 5.900 5.345 5.069 5.461 . 0 0 "[ . 1 . 2 ]" 1
181 1 11 ALA H 1 13 SER H 3.800 . 5.500 4.426 4.090 4.956 . 0 0 "[ . 1 . 2 ]" 1
182 1 11 ALA H 1 23 ILE MD 4.300 . 6.000 4.626 4.157 5.484 . 0 0 "[ . 1 . 2 ]" 1
183 1 11 ALA H 1 25 PHE HZ 4.100 . 6.000 5.118 4.398 5.658 . 0 0 "[ . 1 . 2 ]" 1
184 1 11 ALA H 1 57 VAL MG1 3.700 . 5.400 4.433 3.978 4.909 . 0 0 "[ . 1 . 2 ]" 1
185 1 11 ALA HA 1 12 GLU H 3.300 . 4.400 3.511 3.472 3.567 . 0 0 "[ . 1 . 2 ]" 1
186 1 11 ALA HA 1 14 LEU H 4.000 . 5.500 3.880 3.702 4.096 . 0 0 "[ . 1 . 2 ]" 1
187 1 11 ALA HA 1 14 LEU HB3 4.000 . 5.000 3.268 2.834 3.759 . 0 0 "[ . 1 . 2 ]" 1
188 1 11 ALA HA 1 14 LEU MD2 4.000 . 5.500 3.785 2.773 5.064 . 0 0 "[ . 1 . 2 ]" 1
189 1 11 ALA HA 1 15 VAL H 4.000 . 5.500 4.560 4.253 4.949 . 0 0 "[ . 1 . 2 ]" 1
190 1 11 ALA HA 1 15 VAL MG2 4.000 . 5.000 4.135 3.731 4.445 . 0 0 "[ . 1 . 2 ]" 1
191 1 11 ALA HA 1 23 ILE MD 4.000 . 5.000 2.276 1.863 3.189 . 0 0 "[ . 1 . 2 ]" 1
192 1 11 ALA MB 1 12 GLU H 2.600 . 3.300 2.795 2.466 2.994 . 0 0 "[ . 1 . 2 ]" 1
193 1 11 ALA MB 1 15 VAL MG2 4.000 . 5.000 4.078 3.864 4.328 . 0 0 "[ . 1 . 2 ]" 1
194 1 11 ALA MB 1 23 ILE MD 3.000 . 3.500 2.568 2.069 3.377 . 0 0 "[ . 1 . 2 ]" 1
195 1 11 ALA MB 1 23 ILE MG 4.000 . 5.500 2.837 2.158 3.328 . 0 0 "[ . 1 . 2 ]" 1
196 1 11 ALA MB 1 25 PHE HZ 3.000 . 3.500 3.389 3.109 3.518 0.018 11 0 "[ . 1 . 2 ]" 1
197 1 11 ALA MB 1 57 VAL MG1 3.000 . 3.800 2.696 2.271 3.093 . 0 0 "[ . 1 . 2 ]" 1
198 1 11 ALA MB 1 57 VAL MG2 4.000 . 5.500 3.323 2.974 3.664 . 0 0 "[ . 1 . 2 ]" 1
199 1 11 ALA MB 1 61 TYR QD 4.000 . 5.500 4.341 3.976 4.715 . 0 0 "[ . 1 . 2 ]" 1
200 1 12 GLU H 1 12 GLU HA 2.700 . 3.400 2.943 2.906 2.961 . 0 0 "[ . 1 . 2 ]" 1
201 1 12 GLU H 1 12 GLU QB 2.500 . 3.100 2.163 1.995 2.487 . 0 0 "[ . 1 . 2 ]" 1
202 1 12 GLU H 1 12 GLU HG2 2.900 . 3.700 3.374 1.937 4.410 0.710 18 2 "[ . 1 . + 2- ]" 1
203 1 12 GLU H 1 12 GLU HG3 3.500 . 4.700 3.442 2.474 4.441 . 0 0 "[ . 1 . 2 ]" 1
204 1 12 GLU H 1 13 SER H 2.700 . 3.400 2.483 2.295 2.799 . 0 0 "[ . 1 . 2 ]" 1
205 1 12 GLU H 1 14 LEU H 3.600 . 5.200 3.720 3.513 4.011 . 0 0 "[ . 1 . 2 ]" 1
206 1 12 GLU H 1 15 VAL H 3.600 . 5.200 5.054 4.921 5.223 0.023 12 0 "[ . 1 . 2 ]" 1
207 1 12 GLU HA 1 13 SER H 3.100 . 4.100 3.576 3.529 3.593 . 0 0 "[ . 1 . 2 ]" 1
208 1 12 GLU HA 1 14 LEU H 4.000 . 5.500 4.125 3.866 4.529 . 0 0 "[ . 1 . 2 ]" 1
209 1 12 GLU HA 1 15 VAL H 3.100 . 4.400 3.750 3.432 4.160 . 0 0 "[ . 1 . 2 ]" 1
210 1 12 GLU HA 1 15 VAL HB 4.000 . 5.000 3.501 3.159 3.779 . 0 0 "[ . 1 . 2 ]" 1
211 1 12 GLU HA 1 15 VAL MG1 4.000 . 5.000 4.687 4.363 4.968 . 0 0 "[ . 1 . 2 ]" 1
212 1 12 GLU HA 1 15 VAL MG2 3.000 . 3.500 3.069 2.223 3.509 0.009 13 0 "[ . 1 . 2 ]" 1
213 1 12 GLU HA 1 16 GLU H 3.400 . 4.900 4.704 4.435 4.906 0.006 5 0 "[ . 1 . 2 ]" 1
214 1 12 GLU QB 1 13 SER H 2.700 . 3.400 2.525 2.163 3.413 0.013 7 0 "[ . 1 . 2 ]" 1
215 1 12 GLU QB 1 14 LEU H 3.700 . 5.400 4.104 3.854 4.452 . 0 0 "[ . 1 . 2 ]" 1
216 1 12 GLU QB 1 15 VAL H 3.100 . 4.400 4.240 4.072 4.373 . 0 0 "[ . 1 . 2 ]" 1
217 1 12 GLU HG2 1 13 SER H 3.400 . 4.600 4.201 1.999 5.060 0.460 11 0 "[ . 1 . 2 ]" 1
218 1 12 GLU HG2 1 15 VAL H 3.700 . 5.400 4.949 4.343 5.869 0.469 21 0 "[ . 1 . 2 ]" 1
219 1 12 GLU HG3 1 13 SER H 3.700 . 5.400 4.231 2.168 5.044 . 0 0 "[ . 1 . 2 ]" 1
220 1 13 SER H 1 13 SER HA 2.500 . 3.100 2.859 2.811 2.932 . 0 0 "[ . 1 . 2 ]" 1
221 1 13 SER H 1 13 SER QB 2.500 . 3.100 2.165 1.930 2.542 . 0 0 "[ . 1 . 2 ]" 1
222 1 13 SER H 1 14 LEU H 2.800 . 3.600 2.657 2.438 2.837 . 0 0 "[ . 1 . 2 ]" 1
223 1 13 SER H 1 14 LEU HB2 3.500 . 5.000 4.651 4.304 4.973 . 0 0 "[ . 1 . 2 ]" 1
224 1 13 SER H 1 14 LEU HB3 4.100 . 6.000 5.042 4.875 5.306 . 0 0 "[ . 1 . 2 ]" 1
225 1 13 SER H 1 15 VAL MG2 4.400 . 6.000 5.184 4.687 5.595 . 0 0 "[ . 1 . 2 ]" 1
226 1 13 SER HA 1 14 LEU H 3.100 . 4.100 3.512 3.468 3.565 . 0 0 "[ . 1 . 2 ]" 1
227 1 13 SER HA 1 16 GLU H 3.100 . 4.100 3.572 3.401 3.887 . 0 0 "[ . 1 . 2 ]" 1
228 1 13 SER HA 1 16 GLU QB 3.000 . 3.500 2.691 2.350 3.404 . 0 0 "[ . 1 . 2 ]" 1
229 1 13 SER HA 1 16 GLU QG 4.000 . 5.500 4.233 3.445 4.989 . 0 0 "[ . 1 . 2 ]" 1
230 1 13 SER QB 1 14 LEU H 2.800 . 3.600 2.919 2.605 3.617 0.017 24 0 "[ . 1 . 2 ]" 1
231 1 13 SER QB 1 16 GLU H 3.900 . 5.700 5.007 4.739 5.422 . 0 0 "[ . 1 . 2 ]" 1
232 1 14 LEU H 1 14 LEU HA 2.700 . 3.400 2.871 2.816 2.923 . 0 0 "[ . 1 . 2 ]" 1
233 1 14 LEU H 1 14 LEU HB2 2.500 . 3.100 2.257 2.085 2.400 . 0 0 "[ . 1 . 2 ]" 1
234 1 14 LEU H 1 14 LEU HB3 2.600 . 3.300 2.624 2.461 2.816 . 0 0 "[ . 1 . 2 ]" 1
235 1 14 LEU H 1 14 LEU MD1 3.200 . 4.500 3.885 3.629 4.177 . 0 0 "[ . 1 . 2 ]" 1
236 1 14 LEU H 1 14 LEU HG 3.300 . 4.700 4.346 4.066 4.437 . 0 0 "[ . 1 . 2 ]" 1
237 1 14 LEU H 1 15 VAL H 2.500 . 3.100 2.778 2.582 2.970 . 0 0 "[ . 1 . 2 ]" 1
238 1 14 LEU H 1 15 VAL MG1 3.800 . 5.500 5.552 5.409 5.709 0.209 12 0 "[ . 1 . 2 ]" 1
239 1 14 LEU H 1 15 VAL MG2 3.400 . 4.900 4.028 3.806 4.253 . 0 0 "[ . 1 . 2 ]" 1
240 1 14 LEU H 1 16 GLU H 3.500 . 5.000 4.056 3.789 4.512 . 0 0 "[ . 1 . 2 ]" 1
241 1 14 LEU H 1 21 ALA MB 4.100 . 6.000 5.504 5.090 5.757 . 0 0 "[ . 1 . 2 ]" 1
242 1 14 LEU H 1 23 ILE MD 4.100 . 6.000 4.420 3.882 5.095 . 0 0 "[ . 1 . 2 ]" 1
243 1 14 LEU HA 1 15 VAL H 2.800 . 3.900 3.542 3.451 3.581 . 0 0 "[ . 1 . 2 ]" 1
244 1 14 LEU HB2 1 15 VAL H 2.800 . 3.600 3.529 3.315 3.635 0.035 5 0 "[ . 1 . 2 ]" 1
245 1 14 LEU HB3 1 15 VAL H 2.600 . 3.600 2.210 1.993 2.407 . 0 0 "[ . 1 . 2 ]" 1
246 1 14 LEU MD1 1 15 VAL H 3.800 . 5.500 4.434 3.985 4.715 . 0 0 "[ . 1 . 2 ]" 1
247 1 14 LEU MD1 1 22 VAL H 2.800 . 3.900 1.913 1.867 2.029 . 0 0 "[ . 1 . 2 ]" 1
248 1 14 LEU MD1 1 48 PRO HG2 4.000 . 5.500 3.805 3.305 4.236 . 0 0 "[ . 1 . 2 ]" 1
249 1 14 LEU MD1 1 49 PHE HA 4.000 . 5.500 4.721 4.271 5.052 . 0 0 "[ . 1 . 2 ]" 1
250 1 14 LEU MD1 1 50 GLY H 3.000 . 4.200 2.674 2.213 2.963 . 0 0 "[ . 1 . 2 ]" 1
251 1 14 LEU MD1 1 48 PRO HB2 3.000 . 3.800 2.950 2.170 3.813 0.013 21 0 "[ . 1 . 2 ]" 1
252 1 14 LEU MD1 1 48 PRO HG3 4.000 . 5.500 4.752 3.689 5.800 0.300 21 0 "[ . 1 . 2 ]" 1
253 1 14 LEU MD1 1 50 GLY H 4.000 . 5.000 4.427 3.347 5.026 0.026 5 0 "[ . 1 . 2 ]" 1
254 1 14 LEU MD1 1 50 GLY HA3 4.000 . 5.500 3.272 2.250 3.946 . 0 0 "[ . 1 . 2 ]" 1
255 1 14 LEU MD2 1 21 ALA HA 4.000 . 5.500 3.503 3.293 3.828 . 0 0 "[ . 1 . 2 ]" 1
256 1 14 LEU MD2 1 21 ALA MB 4.000 . 5.500 2.274 1.774 2.895 0.026 16 0 "[ . 1 . 2 ]" 1
257 1 14 LEU MD2 1 23 ILE MG 4.000 . 5.500 3.861 3.005 5.185 . 0 0 "[ . 1 . 2 ]" 1
258 1 14 LEU MD2 1 48 PRO HB2 4.000 . 5.500 2.910 1.894 3.798 . 0 0 "[ . 1 . 2 ]" 1
259 1 14 LEU MD2 1 50 GLY H 4.000 . 5.000 3.714 3.075 4.681 . 0 0 "[ . 1 . 2 ]" 1
260 1 14 LEU MD2 1 50 GLY HA2 4.000 . 5.500 4.308 3.572 5.436 . 0 0 "[ . 1 . 2 ]" 1
261 1 14 LEU MD2 1 50 GLY HA3 4.000 . 5.500 3.151 2.357 4.456 . 0 0 "[ . 1 . 2 ]" 1
262 1 14 LEU HG 1 15 VAL H 3.300 . 4.700 4.072 3.432 4.694 . 0 0 "[ . 1 . 2 ]" 1
263 1 15 VAL H 1 15 VAL HA 2.700 . 3.400 2.824 2.794 2.869 . 0 0 "[ . 1 . 2 ]" 1
264 1 15 VAL H 1 15 VAL HB 2.400 . 3.000 2.484 2.402 2.553 . 0 0 "[ . 1 . 2 ]" 1
265 1 15 VAL H 1 15 VAL MG2 2.400 . 3.000 1.978 1.894 2.107 . 0 0 "[ . 1 . 2 ]" 1
266 1 15 VAL H 1 16 GLU H 2.700 . 3.400 2.804 2.638 3.000 . 0 0 "[ . 1 . 2 ]" 1
267 1 15 VAL H 1 21 ALA MB 3.300 . 4.700 3.973 3.600 4.174 . 0 0 "[ . 1 . 2 ]" 1
268 1 15 VAL H 1 23 ILE MD 3.200 . 4.500 3.600 3.066 3.965 . 0 0 "[ . 1 . 2 ]" 1
269 1 15 VAL HA 1 16 GLU H 3.100 . 4.400 3.552 3.501 3.593 . 0 0 "[ . 1 . 2 ]" 1
270 1 15 VAL HA 1 17 SER H 4.200 . 6.000 4.056 3.636 4.583 . 0 0 "[ . 1 . 2 ]" 1
271 1 15 VAL HA 1 18 SER H 3.500 . 5.000 4.108 3.660 4.410 . 0 0 "[ . 1 . 2 ]" 1
272 1 15 VAL HA 1 21 ALA MB 3.000 . 3.500 2.379 1.856 2.908 . 0 0 "[ . 1 . 2 ]" 1
273 1 15 VAL HA 1 73 LYS H 3.600 . 5.200 5.170 5.055 5.252 0.052 21 0 "[ . 1 . 2 ]" 1
274 1 15 VAL HB 1 16 GLU H 2.800 . 3.600 2.594 2.212 2.877 . 0 0 "[ . 1 . 2 ]" 1
275 1 15 VAL HB 1 17 SER H 4.300 . 6.000 4.757 4.442 5.054 . 0 0 "[ . 1 . 2 ]" 1
276 1 15 VAL MG1 1 16 GLU H 3.100 . 4.100 3.529 3.284 3.765 . 0 0 "[ . 1 . 2 ]" 1
277 1 15 VAL MG1 1 17 SER H 4.800 . 6.000 4.833 4.559 5.210 . 0 0 "[ . 1 . 2 ]" 1
278 1 15 VAL MG1 1 18 SER H 4.300 . 6.000 5.040 4.403 5.548 . 0 0 "[ . 1 . 2 ]" 1
279 1 15 VAL MG1 1 20 VAL HA 4.000 . 5.500 4.971 4.186 5.530 0.030 11 0 "[ . 1 . 2 ]" 1
280 1 15 VAL MG1 1 72 LYS HB3 4.000 . 5.500 5.147 4.816 5.369 . 0 0 "[ . 1 . 2 ]" 1
281 1 15 VAL MG1 1 71 PHE HB2 4.000 . 5.500 3.155 2.784 3.621 . 0 0 "[ . 1 . 2 ]" 1
282 1 15 VAL MG1 1 72 LYS H 3.100 . 4.400 3.136 2.900 3.393 . 0 0 "[ . 1 . 2 ]" 1
283 1 15 VAL MG1 1 71 PHE HA 4.000 . 5.500 3.787 3.498 4.285 . 0 0 "[ . 1 . 2 ]" 1
284 1 15 VAL MG1 1 71 PHE HB2 4.000 . 5.500 3.337 2.846 3.867 . 0 0 "[ . 1 . 2 ]" 1
285 1 15 VAL MG1 1 71 PHE QD 4.000 . 5.500 2.770 2.330 3.710 . 0 0 "[ . 1 . 2 ]" 1
286 1 15 VAL MG2 1 16 GLU H 3.000 . 4.200 3.796 3.641 3.938 . 0 0 "[ . 1 . 2 ]" 1
287 1 15 VAL MG2 1 17 SER H 4.700 . 6.000 5.065 4.913 5.282 . 0 0 "[ . 1 . 2 ]" 1
288 1 15 VAL MG2 1 18 SER H 4.700 . 6.000 5.754 5.410 5.968 . 0 0 "[ . 1 . 2 ]" 1
289 1 15 VAL MG2 1 61 TYR QE 4.000 . 5.000 4.911 4.474 5.048 0.048 11 0 "[ . 1 . 2 ]" 1
290 1 15 VAL MG2 1 71 PHE H 3.400 . 4.900 4.300 3.765 4.675 . 0 0 "[ . 1 . 2 ]" 1
291 1 15 VAL MG2 1 71 PHE HB2 4.000 . 5.500 2.328 1.884 2.684 . 0 0 "[ . 1 . 2 ]" 1
292 1 15 VAL MG2 1 71 PHE QD 4.000 . 5.500 2.232 1.918 2.979 . 0 0 "[ . 1 . 2 ]" 1
293 1 15 VAL MG2 1 71 PHE QE 4.000 . 5.500 3.666 3.397 4.431 . 0 0 "[ . 1 . 2 ]" 1
294 1 16 GLU H 1 16 GLU HA 2.600 . 3.300 2.923 2.870 2.957 . 0 0 "[ . 1 . 2 ]" 1
295 1 16 GLU H 1 16 GLU QB 2.400 . 3.000 2.066 1.939 2.258 . 0 0 "[ . 1 . 2 ]" 1
296 1 16 GLU H 1 16 GLU QG 2.800 . 3.600 3.015 2.251 3.753 0.153 3 0 "[ . 1 . 2 ]" 1
297 1 16 GLU H 1 17 SER H 2.700 . 3.700 2.505 2.295 2.650 . 0 0 "[ . 1 . 2 ]" 1
298 1 16 GLU H 1 18 SER H 3.800 . 5.200 4.574 4.142 4.990 . 0 0 "[ . 1 . 2 ]" 1
299 1 16 GLU QB 1 17 SER H 3.100 . 4.100 3.069 2.742 3.450 . 0 0 "[ . 1 . 2 ]" 1
300 1 16 GLU HB3 1 18 SER H 3.800 . 5.500 4.185 3.392 4.780 . 0 0 "[ . 1 . 2 ]" 1
301 1 16 GLU QG 1 17 SER H 3.900 . 5.400 4.407 3.526 4.699 . 0 0 "[ . 1 . 2 ]" 1
302 1 17 SER H 1 17 SER QB 2.900 . 3.700 2.181 1.933 2.570 . 0 0 "[ . 1 . 2 ]" 1
303 1 17 SER H 1 17 SER HB3 2.800 . 3.900 2.915 2.106 3.542 . 0 0 "[ . 1 . 2 ]" 1
304 1 17 SER H 1 18 SER H 2.700 . 3.400 2.708 2.286 3.042 . 0 0 "[ . 1 . 2 ]" 1
305 1 17 SER H 1 18 SER HB3 4.800 . 6.000 5.556 5.179 5.926 . 0 0 "[ . 1 . 2 ]" 1
306 1 17 SER HA 1 18 SER H 3.200 . 4.200 3.554 3.484 3.595 . 0 0 "[ . 1 . 2 ]" 1
307 1 17 SER QB 1 18 SER H 3.100 . 4.100 2.605 2.056 3.335 . 0 0 "[ . 1 . 2 ]" 1
308 1 17 SER HB3 1 18 SER H 3.200 . 4.500 3.042 2.076 4.010 . 0 0 "[ . 1 . 2 ]" 1
309 1 18 SER H 1 18 SER HB2 3.000 . 3.900 3.751 3.572 3.904 0.004 11 0 "[ . 1 . 2 ]" 1
310 1 18 SER H 1 18 SER HB3 2.900 . 3.700 3.217 2.677 3.597 . 0 0 "[ . 1 . 2 ]" 1
311 1 18 SER H 1 19 GLU H 3.500 . 5.000 4.446 4.389 4.557 . 0 0 "[ . 1 . 2 ]" 1
312 1 18 SER H 1 20 VAL H 3.800 . 5.500 4.964 4.333 5.372 . 0 0 "[ . 1 . 2 ]" 1
313 1 18 SER H 1 21 ALA MB 3.800 . 5.500 3.729 3.427 4.071 . 0 0 "[ . 1 . 2 ]" 1
314 1 18 SER HA 1 19 GLU H 2.200 . 2.700 2.525 2.346 2.698 . 0 0 "[ . 1 . 2 ]" 1
315 1 18 SER HB2 1 19 GLU H 3.000 . 3.900 2.482 2.085 2.853 . 0 0 "[ . 1 . 2 ]" 1
316 1 18 SER HB2 1 20 VAL H 3.000 . 3.900 2.904 2.216 3.567 . 0 0 "[ . 1 . 2 ]" 1
317 1 18 SER HB2 1 21 ALA MB 4.000 . 5.500 4.437 3.645 5.105 . 0 0 "[ . 1 . 2 ]" 1
318 1 18 SER HB2 1 48 PRO HG2 4.000 . 5.500 4.709 3.609 5.424 . 0 0 "[ . 1 . 2 ]" 1
319 1 18 SER HB2 1 48 PRO HG3 4.000 . 5.500 3.486 2.711 4.123 . 0 0 "[ . 1 . 2 ]" 1
320 1 18 SER HB3 1 19 GLU H 3.000 . 4.200 3.728 3.421 4.042 . 0 0 "[ . 1 . 2 ]" 1
321 1 18 SER HB3 1 20 VAL H 3.500 . 4.700 4.449 3.951 4.727 0.027 21 0 "[ . 1 . 2 ]" 1
322 1 18 SER HB3 1 21 ALA MB 4.000 . 5.500 4.597 4.076 5.033 . 0 0 "[ . 1 . 2 ]" 1
323 1 18 SER HB3 1 48 PRO HB2 4.000 . 5.500 4.372 3.397 5.165 . 0 0 "[ . 1 . 2 ]" 1
324 1 18 SER HB3 1 48 PRO HG3 4.000 . 5.500 3.096 2.299 3.861 . 0 0 "[ . 1 . 2 ]" 1
325 1 19 GLU H 1 19 GLU HA 2.700 . 3.700 2.880 2.831 2.915 . 0 0 "[ . 1 . 2 ]" 1
326 1 19 GLU H 1 19 GLU HB2 2.600 . 3.600 2.236 1.934 3.527 . 0 0 "[ . 1 . 2 ]" 1
327 1 19 GLU H 1 19 GLU HB3 2.500 . 3.100 3.073 2.350 3.507 0.407 10 0 "[ . 1 . 2 ]" 1
328 1 19 GLU H 1 19 GLU QG 2.700 . 3.400 3.222 1.988 3.830 0.430 11 0 "[ . 1 . 2 ]" 1
329 1 19 GLU H 1 20 VAL H 2.700 . 3.400 2.630 2.500 2.800 . 0 0 "[ . 1 . 2 ]" 1
330 1 19 GLU HA 1 20 VAL H 3.400 . 4.600 3.543 3.441 3.584 . 0 0 "[ . 1 . 2 ]" 1
331 1 19 GLU HA 1 73 LYS H 3.100 . 4.400 3.900 3.296 4.408 0.008 23 0 "[ . 1 . 2 ]" 1
332 1 19 GLU HA 1 73 LYS HG2 4.000 . 5.000 4.228 2.493 4.995 . 0 0 "[ . 1 . 2 ]" 1
333 1 19 GLU HA 1 73 LYS HG3 4.000 . 5.000 3.408 2.365 4.269 . 0 0 "[ . 1 . 2 ]" 1
334 1 19 GLU HB2 1 20 VAL H 2.900 . 3.700 3.234 2.500 3.703 0.003 13 0 "[ . 1 . 2 ]" 1
335 1 19 GLU HB3 1 20 VAL H 2.900 . 3.700 3.193 2.621 3.789 0.089 19 0 "[ . 1 . 2 ]" 1
336 1 19 GLU QG 1 20 VAL H 3.500 . 5.000 4.002 1.838 4.769 . 0 0 "[ . 1 . 2 ]" 1
337 1 19 GLU QG 1 73 LYS H 3.700 . 5.400 4.352 3.391 5.400 . 0 0 "[ . 1 . 2 ]" 1
338 1 19 GLU HG2 1 20 VAL QG 4.000 . 5.500 4.100 3.169 4.763 . 0 0 "[ . 1 . 2 ]" 1
339 1 20 VAL H 1 20 VAL HA 3.000 . 3.900 2.999 2.986 3.004 . 0 0 "[ . 1 . 2 ]" 1
340 1 20 VAL H 1 20 VAL HB 2.800 . 3.600 2.917 2.418 3.747 0.147 24 0 "[ . 1 . 2 ]" 1
341 1 20 VAL H 1 20 VAL QG 3.000 . 3.900 2.452 1.860 2.868 . 0 0 "[ . 1 . 2 ]" 1
342 1 20 VAL H 1 21 ALA H 3.500 . 5.000 4.474 4.348 4.551 . 0 0 "[ . 1 . 2 ]" 1
343 1 20 VAL H 1 47 ILE MD 3.700 . 5.400 4.089 3.448 4.491 . 0 0 "[ . 1 . 2 ]" 1
344 1 20 VAL H 1 48 PRO HD2 4.100 . 6.000 4.658 4.308 5.044 . 0 0 "[ . 1 . 2 ]" 1
345 1 20 VAL H 1 72 LYS HA 4.200 . 6.000 5.093 4.786 5.292 . 0 0 "[ . 1 . 2 ]" 1
346 1 20 VAL HA 1 21 ALA H 2.300 . 2.800 2.293 2.202 2.418 . 0 0 "[ . 1 . 2 ]" 1
347 1 20 VAL HA 1 72 LYS HA 4.000 . 5.000 2.676 2.437 2.838 . 0 0 "[ . 1 . 2 ]" 1
348 1 20 VAL HA 1 73 LYS H 3.200 . 4.200 4.181 3.896 4.242 0.042 21 0 "[ . 1 . 2 ]" 1
349 1 20 VAL HB 1 47 ILE MD 4.000 . 5.000 2.727 2.004 3.593 . 0 0 "[ . 1 . 2 ]" 1
350 1 20 VAL HB 1 47 ILE MG 3.000 . 3.800 3.460 2.886 3.827 0.027 20 0 "[ . 1 . 2 ]" 1
351 1 20 VAL QG 1 71 PHE H 3.000 . 4.200 3.614 2.986 3.977 . 0 0 "[ . 1 . 2 ]" 1
352 1 20 VAL QG 1 47 ILE MD 3.000 . 3.800 1.996 1.701 2.423 0.099 18 0 "[ . 1 . 2 ]" 1
353 1 20 VAL QG 1 47 ILE MG 4.000 . 5.500 2.400 1.914 2.986 . 0 0 "[ . 1 . 2 ]" 1
354 1 20 VAL QG 1 47 ILE MD 3.000 . 3.500 2.008 1.701 2.477 0.099 18 0 "[ . 1 . 2 ]" 1
355 1 20 VAL QG 1 70 LEU MD1 4.000 . 5.500 3.274 2.445 4.561 . 0 0 "[ . 1 . 2 ]" 1
356 1 20 VAL QG 1 70 LEU MD1 4.000 . 5.500 2.812 2.243 3.857 . 0 0 "[ . 1 . 2 ]" 1
357 1 20 VAL QG 1 70 LEU MD2 4.000 . 5.500 2.974 2.010 3.997 . 0 0 "[ . 1 . 2 ]" 1
358 1 20 VAL QG 1 72 LYS HA 4.000 . 5.500 3.549 3.070 3.974 . 0 0 "[ . 1 . 2 ]" 1
359 1 20 VAL QG 1 73 LYS H 3.100 . 4.400 3.999 3.600 4.264 . 0 0 "[ . 1 . 2 ]" 1
360 1 20 VAL QG 1 97 ASN H 4.000 . 5.900 4.692 3.860 5.464 . 0 0 "[ . 1 . 2 ]" 1
361 1 20 VAL QG 1 98 GLN H 4.300 . 6.000 4.104 3.530 5.052 . 0 0 "[ . 1 . 2 ]" 1
362 1 20 VAL QG 1 98 GLN H 3.400 . 4.900 3.837 3.255 4.491 . 0 0 "[ . 1 . 2 ]" 1
363 1 20 VAL QG 1 98 GLN HA 4.000 . 5.000 2.821 1.877 4.092 . 0 0 "[ . 1 . 2 ]" 1
364 1 20 VAL QG 1 98 GLN HE21 3.700 . 5.400 3.206 1.931 4.341 . 0 0 "[ . 1 . 2 ]" 1
365 1 20 VAL QG 1 98 GLN HE22 3.700 . 5.400 3.681 2.716 4.261 . 0 0 "[ . 1 . 2 ]" 1
366 1 20 VAL QG 1 98 GLN QG 4.000 . 5.000 3.668 2.741 4.212 . 0 0 "[ . 1 . 2 ]" 1
367 1 21 ALA H 1 21 ALA HA 3.000 . 3.900 2.903 2.881 2.965 . 0 0 "[ . 1 . 2 ]" 1
368 1 21 ALA H 1 21 ALA MB 2.500 . 3.100 2.772 2.649 2.828 . 0 0 "[ . 1 . 2 ]" 1
369 1 21 ALA H 1 71 PHE H 2.800 . 3.600 3.418 3.080 3.627 0.027 20 0 "[ . 1 . 2 ]" 1
370 1 21 ALA H 1 72 LYS HA 3.200 . 4.200 3.654 3.426 4.064 . 0 0 "[ . 1 . 2 ]" 1
371 1 21 ALA HA 1 22 VAL H 2.000 . 2.400 2.265 2.215 2.313 . 0 0 "[ . 1 . 2 ]" 1
372 1 21 ALA HA 1 47 ILE MG 3.000 . 3.500 2.699 2.235 3.426 . 0 0 "[ . 1 . 2 ]" 1
373 1 21 ALA HA 1 48 PRO HD2 4.000 . 5.500 2.444 1.991 3.000 . 0 0 "[ . 1 . 2 ]" 1
374 1 21 ALA HA 1 48 PRO HG2 3.000 . 3.800 2.305 1.926 3.427 . 0 0 "[ . 1 . 2 ]" 1
375 1 21 ALA MB 1 23 ILE MD 4.000 . 5.500 3.468 3.014 3.753 . 0 0 "[ . 1 . 2 ]" 1
376 1 21 ALA MB 1 47 ILE MD 4.000 . 5.500 3.782 3.361 4.315 . 0 0 "[ . 1 . 2 ]" 1
377 1 21 ALA MB 1 48 PRO HD2 4.000 . 5.500 3.367 3.024 3.826 . 0 0 "[ . 1 . 2 ]" 1
378 1 21 ALA MB 1 48 PRO HG2 4.000 . 5.500 1.989 1.835 2.340 . 0 0 "[ . 1 . 2 ]" 1
379 1 21 ALA MB 1 48 PRO HG3 4.000 . 5.500 3.008 2.522 3.710 . 0 0 "[ . 1 . 2 ]" 1
380 1 22 VAL H 1 22 VAL HA 2.700 . 3.400 2.991 2.967 3.005 . 0 0 "[ . 1 . 2 ]" 1
381 1 22 VAL H 1 22 VAL QG 2.800 . 3.000 1.915 1.869 2.033 . 0 0 "[ . 1 . 2 ]" 1
382 1 22 VAL H 1 23 ILE H 3.300 . 4.700 4.503 4.456 4.591 . 0 0 "[ . 1 . 2 ]" 1
383 1 22 VAL H 1 47 ILE MG 2.700 . 3.700 3.088 2.790 3.378 . 0 0 "[ . 1 . 2 ]" 1
384 1 22 VAL H 1 48 PRO HB2 3.300 . 4.700 3.736 3.216 4.619 . 0 0 "[ . 1 . 2 ]" 1
385 1 22 VAL H 1 49 PHE H 3.500 . 5.000 4.939 4.679 5.045 0.045 13 0 "[ . 1 . 2 ]" 1
386 1 22 VAL H 1 49 PHE HA 2.500 . 3.100 2.923 2.289 3.136 0.036 9 0 "[ . 1 . 2 ]" 1
387 1 22 VAL H 1 49 PHE QD 3.100 . 4.400 4.009 3.648 4.387 . 0 0 "[ . 1 . 2 ]" 1
388 1 22 VAL H 1 49 PHE QE 3.700 . 5.400 4.851 4.387 5.423 0.023 20 0 "[ . 1 . 2 ]" 1
389 1 22 VAL H 1 50 GLY H 3.000 . 3.900 3.913 3.637 3.979 0.079 19 0 "[ . 1 . 2 ]" 1
390 1 22 VAL H 1 50 GLY H 3.100 . 4.400 3.682 3.481 3.763 . 0 0 "[ . 1 . 2 ]" 1
391 1 22 VAL HA 1 23 ILE H 2.300 . 2.800 2.301 2.236 2.387 . 0 0 "[ . 1 . 2 ]" 1
392 1 22 VAL HA 1 71 PHE H 2.900 . 3.700 2.481 2.196 2.741 . 0 0 "[ . 1 . 2 ]" 1
393 1 22 VAL HB 1 49 PHE HA 4.000 . 5.000 4.620 4.105 5.004 0.004 22 0 "[ . 1 . 2 ]" 1
394 1 22 VAL QG 1 23 ILE H 2.600 . 3.300 2.215 1.924 3.216 . 0 0 "[ . 1 . 2 ]" 1
395 1 22 VAL QG 1 23 ILE H 2.700 . 3.700 2.135 1.905 2.835 . 0 0 "[ . 1 . 2 ]" 1
396 1 22 VAL QG 1 23 ILE HB 4.000 . 5.500 2.969 1.897 3.347 . 0 0 "[ . 1 . 2 ]" 1
397 1 22 VAL QG 1 24 GLY H 2.900 . 4.000 3.499 3.306 3.646 . 0 0 "[ . 1 . 2 ]" 1
398 1 22 VAL QG 1 37 PHE QE 4.000 . 5.500 3.166 2.696 3.633 . 0 0 "[ . 1 . 2 ]" 1
399 1 22 VAL QG 1 41 ALA H 3.300 . 4.700 4.246 3.917 4.467 . 0 0 "[ . 1 . 2 ]" 1
400 1 22 VAL QG 1 49 PHE H 3.900 . 5.700 3.740 3.416 4.050 . 0 0 "[ . 1 . 2 ]" 1
401 1 22 VAL QG 1 49 PHE HB2 4.000 . 5.500 3.872 3.196 4.225 . 0 0 "[ . 1 . 2 ]" 1
402 1 22 VAL QG 1 50 GLY H 2.900 . 4.000 2.714 2.215 3.013 . 0 0 "[ . 1 . 2 ]" 1
403 1 22 VAL QG 1 69 VAL H 2.500 . 3.400 3.097 2.445 3.285 . 0 0 "[ . 1 . 2 ]" 1
404 1 22 VAL QG 1 70 LEU HA 4.000 . 5.500 2.262 1.901 2.728 . 0 0 "[ . 1 . 2 ]" 1
405 1 23 ILE H 1 23 ILE HA 2.900 . 3.700 2.992 2.971 3.002 . 0 0 "[ . 1 . 2 ]" 1
406 1 23 ILE H 1 23 ILE HB 2.700 . 3.400 2.620 2.553 2.768 . 0 0 "[ . 1 . 2 ]" 1
407 1 23 ILE H 1 23 ILE MD 3.200 . 4.500 3.663 2.767 4.303 . 0 0 "[ . 1 . 2 ]" 1
408 1 23 ILE H 1 23 ILE MG 3.000 . 4.200 3.865 3.824 3.935 . 0 0 "[ . 1 . 2 ]" 1
409 1 23 ILE H 1 25 PHE QE 2.800 . 3.900 3.284 2.914 3.522 . 0 0 "[ . 1 . 2 ]" 1
410 1 23 ILE H 1 70 LEU HA 2.900 . 3.700 3.186 2.403 3.472 . 0 0 "[ . 1 . 2 ]" 1
411 1 23 ILE H 1 70 LEU MD1 4.000 . 5.500 5.248 4.718 5.520 0.020 13 0 "[ . 1 . 2 ]" 1
412 1 23 ILE H 1 71 PHE H 3.200 . 4.500 4.247 3.683 4.521 0.021 13 0 "[ . 1 . 2 ]" 1
413 1 23 ILE H 1 71 PHE HB2 3.500 . 5.000 4.760 4.377 5.038 0.038 20 0 "[ . 1 . 2 ]" 1
414 1 23 ILE H 1 71 PHE QD 3.000 . 3.900 2.889 2.512 3.208 . 0 0 "[ . 1 . 2 ]" 1
415 1 23 ILE H 1 71 PHE QE 2.900 . 3.700 3.570 3.063 3.736 0.036 12 0 "[ . 1 . 2 ]" 1
416 1 23 ILE HA 1 24 GLY H 2.200 . 2.700 2.223 2.210 2.254 . 0 0 "[ . 1 . 2 ]" 1
417 1 23 ILE HA 1 50 GLY H 2.500 . 3.100 2.662 2.437 2.861 . 0 0 "[ . 1 . 2 ]" 1
418 1 23 ILE MD 1 25 PHE QE 4.000 . 5.500 2.973 2.382 3.639 . 0 0 "[ . 1 . 2 ]" 1
419 1 23 ILE MD 1 25 PHE HZ 4.000 . 5.500 3.254 2.479 3.873 . 0 0 "[ . 1 . 2 ]" 1
420 1 23 ILE MD 1 71 PHE QD 4.000 . 5.000 2.899 2.102 3.591 . 0 0 "[ . 1 . 2 ]" 1
421 1 23 ILE HG12 1 50 GLY H 3.200 . 4.500 3.884 3.188 4.502 0.002 24 0 "[ . 1 . 2 ]" 1
422 1 23 ILE HG13 1 49 PHE HA 4.000 . 5.500 4.235 3.920 4.562 . 0 0 "[ . 1 . 2 ]" 1
423 1 23 ILE HG13 1 50 GLY H 3.000 . 3.900 3.907 3.167 4.510 0.610 17 2 "[ . 1- . + 2 ]" 1
424 1 23 ILE MG 1 24 GLY H 2.500 . 3.100 3.010 2.748 3.118 0.018 5 0 "[ . 1 . 2 ]" 1
425 1 23 ILE MG 1 50 GLY H 3.200 . 4.200 4.197 4.053 4.254 0.054 17 0 "[ . 1 . 2 ]" 1
426 1 23 ILE MG 1 51 ILE HA 4.000 . 5.000 3.176 2.957 3.584 . 0 0 "[ . 1 . 2 ]" 1
427 1 23 ILE MG 1 52 THR H 3.000 . 3.900 3.847 3.507 3.916 0.016 5 0 "[ . 1 . 2 ]" 1
428 1 23 ILE MG 1 52 THR MG 3.000 . 3.500 2.709 2.426 3.565 0.065 17 0 "[ . 1 . 2 ]" 1
429 1 24 GLY H 1 24 GLY HA2 2.900 . 3.700 2.930 2.908 2.955 . 0 0 "[ . 1 . 2 ]" 1
430 1 24 GLY H 1 24 GLY HA3 2.600 . 3.300 2.375 2.359 2.403 . 0 0 "[ . 1 . 2 ]" 1
431 1 24 GLY H 1 37 PHE HZ 2.500 . 3.400 3.113 2.538 3.336 . 0 0 "[ . 1 . 2 ]" 1
432 1 24 GLY H 1 50 GLY H 3.000 . 3.900 3.815 3.568 3.943 0.043 20 0 "[ . 1 . 2 ]" 1
433 1 24 GLY H 1 51 ILE HA 2.600 . 3.300 2.725 2.418 3.151 . 0 0 "[ . 1 . 2 ]" 1
434 1 24 GLY H 1 51 ILE HB 2.900 . 4.000 3.619 3.274 3.928 . 0 0 "[ . 1 . 2 ]" 1
435 1 24 GLY HA2 1 25 PHE H 2.200 . 2.700 2.245 2.193 2.447 . 0 0 "[ . 1 . 2 ]" 1
436 1 24 GLY HA2 1 26 PHE QE 4.000 . 5.500 4.496 3.929 5.295 . 0 0 "[ . 1 . 2 ]" 1
437 1 24 GLY HA2 1 68 VAL HA 3.000 . 3.500 2.340 1.950 2.725 . 0 0 "[ . 1 . 2 ]" 1
438 1 24 GLY HA2 1 68 VAL QG 4.000 . 5.500 2.715 2.080 3.058 . 0 0 "[ . 1 . 2 ]" 1
439 1 24 GLY HA2 1 69 VAL H 3.100 . 4.400 3.449 2.286 4.018 . 0 0 "[ . 1 . 2 ]" 1
440 1 24 GLY HA3 1 25 PHE H 2.700 . 3.700 3.131 2.750 3.290 . 0 0 "[ . 1 . 2 ]" 1
441 1 24 GLY HA3 1 26 PHE QE 4.000 . 5.500 3.674 3.102 4.137 . 0 0 "[ . 1 . 2 ]" 1
442 1 24 GLY HA3 1 51 ILE HA 4.000 . 5.500 3.693 3.336 4.113 . 0 0 "[ . 1 . 2 ]" 1
443 1 24 GLY HA3 1 68 VAL HA 4.000 . 5.000 3.833 3.062 4.267 . 0 0 "[ . 1 . 2 ]" 1
444 1 24 GLY HA3 1 68 VAL QG 4.000 . 5.500 3.128 2.461 3.718 . 0 0 "[ . 1 . 2 ]" 1
445 1 25 PHE H 1 25 PHE HA 2.700 . 3.400 2.986 2.955 3.003 . 0 0 "[ . 1 . 2 ]" 1
446 1 25 PHE H 1 25 PHE HB2 2.700 . 3.400 2.337 2.179 2.555 . 0 0 "[ . 1 . 2 ]" 1
447 1 25 PHE H 1 25 PHE QD 2.100 . 2.500 2.225 1.948 2.509 0.009 7 0 "[ . 1 . 2 ]" 1
448 1 25 PHE H 1 25 PHE QE 2.900 . 4.000 3.851 3.592 4.112 0.112 4 0 "[ . 1 . 2 ]" 1
449 1 25 PHE H 1 52 THR MG 3.500 . 5.000 4.599 4.285 4.806 . 0 0 "[ . 1 . 2 ]" 1
450 1 25 PHE H 1 63 LEU QD 3.500 . 5.000 4.392 4.200 4.685 . 0 0 "[ . 1 . 2 ]" 1
451 1 25 PHE H 1 67 GLY H 2.500 . 3.100 3.124 3.050 3.182 0.082 20 0 "[ . 1 . 2 ]" 1
452 1 25 PHE H 1 68 VAL HA 2.700 . 3.400 2.939 2.632 3.249 . 0 0 "[ . 1 . 2 ]" 1
453 1 25 PHE H 1 68 VAL QG 2.700 . 3.400 3.182 2.616 3.361 . 0 0 "[ . 1 . 2 ]" 1
454 1 25 PHE H 1 69 VAL H 3.500 . 5.000 4.149 3.844 4.555 . 0 0 "[ . 1 . 2 ]" 1
455 1 25 PHE HA 1 26 PHE H 2.200 . 2.700 2.496 2.306 2.623 . 0 0 "[ . 1 . 2 ]" 1
456 1 25 PHE HA 1 52 THR H 2.900 . 3.700 3.491 2.999 3.706 0.006 5 0 "[ . 1 . 2 ]" 1
457 1 25 PHE HA 1 52 THR MG 4.000 . 5.500 3.168 2.683 3.759 . 0 0 "[ . 1 . 2 ]" 1
458 1 25 PHE HA 1 67 GLY H 3.500 . 5.000 4.572 4.362 4.719 . 0 0 "[ . 1 . 2 ]" 1
459 1 25 PHE HB2 1 29 VAL QG 4.000 . 5.500 5.498 5.139 5.811 0.311 24 0 "[ . 1 . 2 ]" 1
460 1 25 PHE HB2 1 52 THR MG 4.000 . 5.500 4.440 3.921 4.753 . 0 0 "[ . 1 . 2 ]" 1
461 1 25 PHE HB2 1 63 LEU QD 4.000 . 5.500 2.684 2.462 3.068 . 0 0 "[ . 1 . 2 ]" 1
462 1 25 PHE HB2 1 67 GLY H 2.700 . 3.400 2.496 2.150 2.758 . 0 0 "[ . 1 . 2 ]" 1
463 1 25 PHE HB3 1 67 GLY H 2.700 . 3.700 3.604 3.226 3.726 0.026 7 0 "[ . 1 . 2 ]" 1
464 1 25 PHE QD 1 52 THR MG 4.000 . 5.000 3.763 2.416 4.190 . 0 0 "[ . 1 . 2 ]" 1
465 1 25 PHE QD 1 58 PHE HA 4.000 . 5.500 3.031 2.449 4.503 . 0 0 "[ . 1 . 2 ]" 1
466 1 25 PHE QD 1 63 LEU QD 4.000 . 5.000 2.435 1.879 3.069 . 0 0 "[ . 1 . 2 ]" 1
467 1 25 PHE QD 1 69 VAL H 2.900 . 4.000 3.045 2.500 3.407 . 0 0 "[ . 1 . 2 ]" 1
468 1 25 PHE QD 1 69 VAL MG2 4.000 . 5.500 3.795 3.175 4.287 . 0 0 "[ . 1 . 2 ]" 1
469 1 25 PHE QE 1 52 THR H 3.400 . 4.900 4.211 3.749 4.422 . 0 0 "[ . 1 . 2 ]" 1
470 1 25 PHE QE 1 52 THR MG 4.000 . 5.500 3.018 2.539 3.429 . 0 0 "[ . 1 . 2 ]" 1
471 1 25 PHE QE 1 57 VAL MG1 3.000 . 3.800 1.877 1.792 1.950 0.008 16 0 "[ . 1 . 2 ]" 1
472 1 25 PHE QE 1 69 VAL H 2.700 . 3.700 3.202 2.658 3.735 0.035 4 0 "[ . 1 . 2 ]" 1
473 1 25 PHE QE 1 69 VAL HB 3.000 . 3.800 2.427 2.010 2.763 . 0 0 "[ . 1 . 2 ]" 1
474 1 25 PHE QE 1 69 VAL MG1 4.000 . 5.500 2.898 2.448 3.307 . 0 0 "[ . 1 . 2 ]" 1
475 1 25 PHE QE 1 69 VAL MG2 3.000 . 3.800 3.560 3.144 3.816 0.016 16 0 "[ . 1 . 2 ]" 1
476 1 25 PHE QE 1 71 PHE H 3.600 . 5.200 4.804 4.398 5.027 . 0 0 "[ . 1 . 2 ]" 1
477 1 25 PHE HZ 1 57 VAL MG1 3.000 . 3.800 2.886 2.440 3.170 . 0 0 "[ . 1 . 2 ]" 1
478 1 25 PHE HZ 1 60 LYS H 4.100 . 6.000 5.477 5.275 5.747 . 0 0 "[ . 1 . 2 ]" 1
479 1 25 PHE HZ 1 61 TYR H 3.100 . 4.400 4.243 4.068 4.379 . 0 0 "[ . 1 . 2 ]" 1
480 1 25 PHE HZ 1 63 LEU QD 4.000 . 5.500 3.867 3.648 4.216 . 0 0 "[ . 1 . 2 ]" 1
481 1 26 PHE H 1 26 PHE HA 2.900 . 3.700 2.975 2.928 3.001 . 0 0 "[ . 1 . 2 ]" 1
482 1 26 PHE H 1 26 PHE HB2 3.100 . 4.100 2.155 2.085 2.271 . 0 0 "[ . 1 . 2 ]" 1
483 1 26 PHE H 1 26 PHE HB3 3.000 . 4.200 3.477 3.431 3.550 . 0 0 "[ . 1 . 2 ]" 1
484 1 26 PHE H 1 26 PHE QD 2.500 . 3.100 3.130 3.088 3.165 0.065 17 0 "[ . 1 . 2 ]" 1
485 1 26 PHE H 1 26 PHE QD 2.500 . 3.400 3.026 2.837 3.075 . 0 0 "[ . 1 . 2 ]" 1
486 1 26 PHE H 1 27 LYS H 3.500 . 5.000 4.554 4.501 4.583 . 0 0 "[ . 1 . 2 ]" 1
487 1 26 PHE H 1 52 THR H 3.000 . 3.900 3.358 2.939 3.730 . 0 0 "[ . 1 . 2 ]" 1
488 1 26 PHE H 1 52 THR MG 4.000 . 5.500 4.235 4.072 4.408 . 0 0 "[ . 1 . 2 ]" 1
489 1 26 PHE H 1 53 SER HA 3.100 . 4.100 4.081 3.738 4.134 0.034 21 0 "[ . 1 . 2 ]" 1
490 1 26 PHE HA 1 27 LYS H 2.200 . 2.700 2.214 2.145 2.263 . 0 0 "[ . 1 . 2 ]" 1
491 1 26 PHE HA 1 27 LYS HB3 4.000 . 5.500 4.495 4.250 4.651 . 0 0 "[ . 1 . 2 ]" 1
492 1 26 PHE HA 1 28 ASP H 3.500 . 5.000 3.871 3.687 4.008 . 0 0 "[ . 1 . 2 ]" 1
493 1 26 PHE HA 1 29 VAL QG 4.000 . 5.500 4.353 4.011 4.735 . 0 0 "[ . 1 . 2 ]" 1
494 1 26 PHE HA 1 66 ASP HA 4.000 . 5.000 3.177 2.424 3.667 . 0 0 "[ . 1 . 2 ]" 1
495 1 26 PHE HA 1 67 GLY H 3.400 . 4.900 3.725 3.222 4.232 . 0 0 "[ . 1 . 2 ]" 1
496 1 26 PHE HB2 1 27 LYS H 3.500 . 4.700 4.253 4.163 4.402 . 0 0 "[ . 1 . 2 ]" 1
497 1 26 PHE HB2 1 28 ASP H 3.300 . 4.700 4.580 4.376 4.915 0.215 15 0 "[ . 1 . 2 ]" 1
498 1 26 PHE HB2 1 29 VAL QG 3.000 . 3.500 2.788 2.261 3.374 . 0 0 "[ . 1 . 2 ]" 1
499 1 26 PHE HB2 1 33 SER H 3.800 . 5.500 5.280 5.032 5.488 . 0 0 "[ . 1 . 2 ]" 1
500 1 26 PHE HB3 1 27 LYS H 3.100 . 4.100 3.154 3.006 3.427 . 0 0 "[ . 1 . 2 ]" 1
501 1 26 PHE HB3 1 29 VAL QG 3.000 . 3.500 2.947 2.498 3.464 . 0 0 "[ . 1 . 2 ]" 1
502 1 26 PHE HB3 1 34 ALA MB 3.000 . 3.800 3.139 2.674 3.690 . 0 0 "[ . 1 . 2 ]" 1
503 1 26 PHE HB3 1 51 ILE MD 4.000 . 5.500 4.162 3.654 4.621 . 0 0 "[ . 1 . 2 ]" 1
504 1 26 PHE QD 1 27 LYS H 2.500 . 3.100 3.140 3.108 3.183 0.083 15 0 "[ . 1 . 2 ]" 1
505 1 26 PHE QD 1 27 LYS H 2.400 . 3.300 2.973 2.873 3.035 . 0 0 "[ . 1 . 2 ]" 1
506 1 26 PHE QD 1 27 LYS HG2 4.000 . 5.000 4.591 3.882 5.042 0.042 11 0 "[ . 1 . 2 ]" 1
507 1 26 PHE QD 1 27 LYS HG3 4.000 . 5.000 4.159 3.778 5.042 0.042 4 0 "[ . 1 . 2 ]" 1
508 1 26 PHE QD 1 28 ASP H 3.300 . 4.700 3.610 3.357 3.917 . 0 0 "[ . 1 . 2 ]" 1
509 1 26 PHE QD 1 29 VAL QG 4.000 . 5.500 3.810 3.504 4.292 . 0 0 "[ . 1 . 2 ]" 1
510 1 26 PHE QD 1 37 PHE H 3.600 . 5.200 4.775 4.646 4.892 . 0 0 "[ . 1 . 2 ]" 1
511 1 26 PHE QD 1 90 LEU MD1 4.000 . 5.500 5.094 4.834 5.277 . 0 0 "[ . 1 . 2 ]" 1
512 1 26 PHE QD 1 66 ASP H 3.300 . 4.700 4.178 3.586 4.743 0.043 8 0 "[ . 1 . 2 ]" 1
513 1 26 PHE QE 1 34 ALA H 3.500 . 5.000 4.206 3.448 5.084 0.084 5 0 "[ . 1 . 2 ]" 1
514 1 26 PHE QE 1 37 PHE H 3.200 . 4.500 4.362 3.558 4.902 0.402 5 0 "[ . 1 . 2 ]" 1
515 1 26 PHE QE 1 37 PHE HB2 4.000 . 5.500 2.955 2.232 3.597 . 0 0 "[ . 1 . 2 ]" 1
516 1 26 PHE QE 1 37 PHE HB3 4.000 . 5.500 4.031 3.000 4.891 . 0 0 "[ . 1 . 2 ]" 1
517 1 26 PHE QE 1 85 VAL H 4.100 . 6.000 4.965 4.214 5.905 . 0 0 "[ . 1 . 2 ]" 1
518 1 26 PHE QE 1 33 SER H 3.800 . 5.500 4.949 4.405 5.721 0.221 5 0 "[ . 1 . 2 ]" 1
519 1 26 PHE HZ 1 85 VAL QG 4.000 . 5.500 1.892 1.783 2.080 0.017 1 0 "[ . 1 . 2 ]" 1
520 1 27 LYS H 1 27 LYS HA 2.600 . 3.300 2.953 2.915 2.971 . 0 0 "[ . 1 . 2 ]" 1
521 1 27 LYS H 1 27 LYS HG2 2.800 . 3.900 2.474 1.894 3.012 . 0 0 "[ . 1 . 2 ]" 1
522 1 27 LYS H 1 27 LYS HG3 2.800 . 3.600 2.152 1.873 3.101 . 0 0 "[ . 1 . 2 ]" 1
523 1 27 LYS H 1 28 ASP H 2.700 . 3.400 2.282 2.185 2.480 . 0 0 "[ . 1 . 2 ]" 1
524 1 27 LYS H 1 29 VAL H 3.500 . 5.000 4.615 3.702 4.990 . 0 0 "[ . 1 . 2 ]" 1
525 1 27 LYS H 1 66 ASP H 4.300 . 6.000 4.891 4.086 5.580 . 0 0 "[ . 1 . 2 ]" 1
526 1 27 LYS HA 1 28 ASP H 3.100 . 4.100 3.495 3.470 3.527 . 0 0 "[ . 1 . 2 ]" 1
527 1 27 LYS HA 1 53 SER HA 4.000 . 5.000 3.099 2.753 3.458 . 0 0 "[ . 1 . 2 ]" 1
528 1 27 LYS HB2 1 28 ASP H 2.900 . 3.700 3.821 3.743 3.982 0.282 11 0 "[ . 1 . 2 ]" 1
529 1 27 LYS HB3 1 28 ASP H 3.100 . 4.100 4.001 3.784 4.110 0.010 13 0 "[ . 1 . 2 ]" 1
530 1 27 LYS HG2 1 28 ASP H 3.600 . 5.200 3.374 2.258 3.656 . 0 0 "[ . 1 . 2 ]" 1
531 1 27 LYS HG2 1 58 PHE QE 4.000 . 5.000 4.336 3.691 4.986 . 0 0 "[ . 1 . 2 ]" 1
532 1 27 LYS HG3 1 28 ASP H 4.100 . 6.000 1.947 1.886 2.205 . 0 0 "[ . 1 . 2 ]" 1
533 1 27 LYS HG3 1 58 PHE QE 4.000 . 5.000 5.038 5.003 5.099 0.099 15 0 "[ . 1 . 2 ]" 1
534 1 27 LYS HG3 1 66 ASP H 3.500 . 5.000 3.101 2.093 3.916 . 0 0 "[ . 1 . 2 ]" 1
535 1 28 ASP H 1 28 ASP HA 2.700 . 3.700 2.993 2.949 3.005 . 0 0 "[ . 1 . 2 ]" 1
536 1 28 ASP H 1 28 ASP HB2 2.700 . 3.400 2.965 2.227 3.695 0.295 16 0 "[ . 1 . 2 ]" 1
537 1 28 ASP H 1 28 ASP HB3 2.800 . 3.600 2.829 2.132 3.597 . 0 0 "[ . 1 . 2 ]" 1
538 1 28 ASP H 1 29 VAL H 3.600 . 5.200 3.437 2.312 3.945 . 0 0 "[ . 1 . 2 ]" 1
539 1 28 ASP H 1 29 VAL QG 3.700 . 5.400 3.797 3.449 4.379 . 0 0 "[ . 1 . 2 ]" 1
540 1 28 ASP H 1 29 VAL QG 4.100 . 6.000 4.022 3.523 4.745 . 0 0 "[ . 1 . 2 ]" 1
541 1 28 ASP H 1 30 GLU H 4.200 . 6.000 5.130 5.049 5.337 . 0 0 "[ . 1 . 2 ]" 1
542 1 28 ASP H 1 31 SER H 3.200 . 4.500 4.145 4.066 4.215 . 0 0 "[ . 1 . 2 ]" 1
543 1 28 ASP H 1 31 SER HB3 3.700 . 5.400 4.182 3.671 4.570 . 0 0 "[ . 1 . 2 ]" 1
544 1 28 ASP HA 1 29 VAL H 2.600 . 3.300 2.537 2.284 3.500 0.200 4 0 "[ . 1 . 2 ]" 1
545 1 28 ASP HA 1 29 VAL QG 4.000 . 5.500 3.508 3.228 3.948 . 0 0 "[ . 1 . 2 ]" 1
546 1 28 ASP HA 1 30 GLU H 3.200 . 4.500 3.333 3.194 3.971 . 0 0 "[ . 1 . 2 ]" 1
547 1 28 ASP HA 1 31 SER H 3.500 . 4.700 4.528 4.005 4.740 0.040 4 0 "[ . 1 . 2 ]" 1
548 1 28 ASP HB2 1 31 SER H 3.300 . 4.400 3.679 2.331 4.936 0.536 24 1 "[ . 1 . 2 +]" 1
549 1 28 ASP HB2 1 31 SER HA 4.000 . 5.500 4.340 3.668 5.147 . 0 0 "[ . 1 . 2 ]" 1
550 1 28 ASP HB2 1 31 SER HB2 4.000 . 5.000 4.036 3.361 4.957 . 0 0 "[ . 1 . 2 ]" 1
551 1 28 ASP HB2 1 31 SER HB3 4.000 . 5.000 2.546 1.933 3.594 . 0 0 "[ . 1 . 2 ]" 1
552 1 28 ASP HB2 1 34 ALA H 4.200 . 6.000 5.497 4.856 6.007 0.007 22 0 "[ . 1 . 2 ]" 1
553 1 28 ASP HB3 1 31 SER H 3.500 . 5.000 3.895 2.439 4.998 . 0 0 "[ . 1 . 2 ]" 1
554 1 28 ASP HB3 1 31 SER HB2 4.000 . 5.000 4.147 3.352 5.005 0.005 14 0 "[ . 1 . 2 ]" 1
555 1 28 ASP HB3 1 31 SER HB3 4.000 . 5.000 2.692 1.931 3.637 . 0 0 "[ . 1 . 2 ]" 1
556 1 29 VAL H 1 29 VAL HB 3.500 . 4.700 3.165 2.152 3.771 . 0 0 "[ . 1 . 2 ]" 1
557 1 29 VAL H 1 29 VAL QG 2.900 . 3.600 1.994 1.763 2.566 0.037 23 0 "[ . 1 . 2 ]" 1
558 1 29 VAL H 1 30 GLU H 2.600 . 3.300 2.870 2.674 3.498 0.198 13 0 "[ . 1 . 2 ]" 1
559 1 29 VAL H 1 31 SER H 3.200 . 4.500 4.273 3.329 4.427 . 0 0 "[ . 1 . 2 ]" 1
560 1 29 VAL HA 1 30 GLU H 2.900 . 3.700 3.500 3.439 3.582 . 0 0 "[ . 1 . 2 ]" 1
561 1 29 VAL HA 1 31 SER H 3.000 . 3.900 3.587 3.461 3.922 0.022 4 0 "[ . 1 . 2 ]" 1
562 1 29 VAL HA 1 34 ALA MB 3.000 . 3.800 1.989 1.815 2.636 . 0 0 "[ . 1 . 2 ]" 1
563 1 29 VAL HA 1 51 ILE MD 3.000 . 3.800 3.558 2.831 3.807 0.007 22 0 "[ . 1 . 2 ]" 1
564 1 29 VAL HB 1 51 ILE MD 3.000 . 3.800 3.102 2.737 3.722 . 0 0 "[ . 1 . 2 ]" 1
565 1 29 VAL QG 1 30 GLU H 2.800 . 3.900 2.436 1.913 3.303 . 0 0 "[ . 1 . 2 ]" 1
566 1 29 VAL QG 1 30 GLU HA 4.000 . 5.500 3.558 3.111 3.944 . 0 0 "[ . 1 . 2 ]" 1
567 1 29 VAL QG 1 30 GLU HG2 4.000 . 5.500 3.384 2.898 4.395 . 0 0 "[ . 1 . 2 ]" 1
568 1 29 VAL QG 1 30 GLU HG3 4.000 . 5.500 3.346 2.315 4.998 . 0 0 "[ . 1 . 2 ]" 1
569 1 29 VAL QG 1 31 SER H 4.000 . 5.500 4.073 3.912 4.385 . 0 0 "[ . 1 . 2 ]" 1
570 1 29 VAL QG 1 53 SER HB2 4.000 . 5.000 3.109 1.875 4.764 . 0 0 "[ . 1 . 2 ]" 1
571 1 29 VAL QG 1 53 SER HB3 4.000 . 5.000 2.930 1.887 4.040 . 0 0 "[ . 1 . 2 ]" 1
572 1 30 GLU H 1 30 GLU HA 2.700 . 3.400 2.932 2.898 2.984 . 0 0 "[ . 1 . 2 ]" 1
573 1 30 GLU H 1 30 GLU HB2 2.500 . 3.100 2.087 1.973 2.300 . 0 0 "[ . 1 . 2 ]" 1
574 1 30 GLU H 1 30 GLU HB2 2.500 . 3.400 2.048 1.950 2.216 . 0 0 "[ . 1 . 2 ]" 1
575 1 30 GLU H 1 30 GLU HB3 2.600 . 3.600 3.430 3.337 3.546 . 0 0 "[ . 1 . 2 ]" 1
576 1 30 GLU H 1 30 GLU HG2 2.900 . 3.700 3.406 2.835 4.208 0.508 7 1 "[ . + 1 . 2 ]" 1
577 1 30 GLU H 1 31 SER H 2.300 . 2.800 2.660 2.428 2.735 . 0 0 "[ . 1 . 2 ]" 1
578 1 30 GLU HA 1 30 GLU HG2 4.000 . 5.500 2.375 2.013 3.465 . 0 0 "[ . 1 . 2 ]" 1
579 1 30 GLU HA 1 34 ALA MB 4.000 . 5.500 4.008 3.521 4.341 . 0 0 "[ . 1 . 2 ]" 1
580 1 30 GLU HA 1 35 LYS QD 4.000 . 5.000 4.842 3.958 5.023 0.023 11 0 "[ . 1 . 2 ]" 1
581 1 30 GLU HA 1 35 LYS QE 4.000 . 5.500 4.688 2.761 5.507 0.007 10 0 "[ . 1 . 2 ]" 1
582 1 30 GLU HB2 1 31 SER H 2.900 . 4.000 3.603 3.337 3.829 . 0 0 "[ . 1 . 2 ]" 1
583 1 30 GLU HB2 1 31 SER H 3.200 . 4.200 3.669 3.376 3.891 . 0 0 "[ . 1 . 2 ]" 1
584 1 30 GLU HB3 1 31 SER H 3.100 . 4.100 3.991 3.744 4.127 0.027 21 0 "[ . 1 . 2 ]" 1
585 1 30 GLU HB3 1 31 SER H 3.000 . 4.200 4.135 3.821 4.230 0.030 2 0 "[ . 1 . 2 ]" 1
586 1 30 GLU HB3 1 31 SER HA 4.000 . 5.500 4.493 4.311 4.668 . 0 0 "[ . 1 . 2 ]" 1
587 1 30 GLU HG2 1 31 SER H 3.500 . 5.000 5.053 4.707 5.387 0.387 24 0 "[ . 1 . 2 ]" 1
588 1 31 SER H 1 31 SER HA 2.800 . 3.600 2.929 2.885 2.976 . 0 0 "[ . 1 . 2 ]" 1
589 1 31 SER H 1 31 SER HB2 2.800 . 3.900 3.539 3.487 3.615 . 0 0 "[ . 1 . 2 ]" 1
590 1 31 SER H 1 31 SER HB3 2.700 . 3.400 2.449 2.201 2.705 . 0 0 "[ . 1 . 2 ]" 1
591 1 31 SER H 1 32 ASP H 3.300 . 4.400 4.422 4.337 4.470 0.070 4 0 "[ . 1 . 2 ]" 1
592 1 31 SER H 1 33 SER H 4.000 . 5.900 5.221 4.669 5.704 . 0 0 "[ . 1 . 2 ]" 1
593 1 31 SER H 1 34 ALA H 3.400 . 4.900 4.044 3.801 4.299 . 0 0 "[ . 1 . 2 ]" 1
594 1 31 SER H 1 34 ALA MB 2.400 . 3.300 2.827 2.394 3.175 . 0 0 "[ . 1 . 2 ]" 1
595 1 31 SER H 1 35 LYS H 3.500 . 5.000 4.932 4.686 5.026 0.026 14 0 "[ . 1 . 2 ]" 1
596 1 31 SER H 1 35 LYS QD 3.600 . 5.200 4.796 4.365 5.254 0.054 10 0 "[ . 1 . 2 ]" 1
597 1 31 SER HA 1 32 ASP H 2.100 . 2.800 2.549 2.497 2.591 . 0 0 "[ . 1 . 2 ]" 1
598 1 31 SER HA 1 33 SER H 2.700 . 3.700 3.454 3.345 3.526 . 0 0 "[ . 1 . 2 ]" 1
599 1 31 SER HA 1 34 ALA H 3.600 . 5.200 3.881 3.683 4.111 . 0 0 "[ . 1 . 2 ]" 1
600 1 31 SER HB2 1 32 ASP H 2.600 . 3.600 2.120 1.921 2.317 . 0 0 "[ . 1 . 2 ]" 1
601 1 31 SER HB2 1 33 SER H 3.000 . 4.200 3.333 2.702 3.809 . 0 0 "[ . 1 . 2 ]" 1
602 1 31 SER HB2 1 34 ALA H 3.600 . 5.200 4.277 3.831 4.707 . 0 0 "[ . 1 . 2 ]" 1
603 1 31 SER HB3 1 32 ASP H 3.000 . 3.900 3.592 3.437 3.685 . 0 0 "[ . 1 . 2 ]" 1
604 1 31 SER HB3 1 33 SER H 3.600 . 5.200 4.604 4.181 5.056 . 0 0 "[ . 1 . 2 ]" 1
605 1 31 SER HB3 1 34 ALA H 4.000 . 5.900 4.636 4.202 4.909 . 0 0 "[ . 1 . 2 ]" 1
606 1 31 SER HB3 1 34 ALA MB 4.000 . 5.500 4.170 3.574 4.700 . 0 0 "[ . 1 . 2 ]" 1
607 1 32 ASP H 1 32 ASP QB 2.400 . 3.000 2.166 2.003 2.738 . 0 0 "[ . 1 . 2 ]" 1
608 1 32 ASP H 1 33 SER H 2.800 . 3.600 2.375 2.275 2.512 . 0 0 "[ . 1 . 2 ]" 1
609 1 32 ASP H 1 34 ALA H 3.500 . 5.000 3.888 3.558 4.189 . 0 0 "[ . 1 . 2 ]" 1
610 1 32 ASP HA 1 33 SER H 2.900 . 3.700 3.547 3.470 3.589 . 0 0 "[ . 1 . 2 ]" 1
611 1 32 ASP HA 1 35 LYS H 2.900 . 3.700 3.278 3.067 3.563 . 0 0 "[ . 1 . 2 ]" 1
612 1 32 ASP HA 1 35 LYS HB2 4.000 . 5.500 2.732 2.169 3.248 . 0 0 "[ . 1 . 2 ]" 1
613 1 32 ASP HA 1 35 LYS HG2 4.000 . 5.500 3.612 2.795 4.885 . 0 0 "[ . 1 . 2 ]" 1
614 1 32 ASP HA 1 36 GLN H 3.500 . 5.000 4.605 4.036 5.014 0.014 19 0 "[ . 1 . 2 ]" 1
615 1 32 ASP QB 1 34 ALA H 3.700 . 5.400 4.574 4.255 4.882 . 0 0 "[ . 1 . 2 ]" 1
616 1 32 ASP QB 1 35 LYS H 3.600 . 5.200 4.808 4.567 5.193 . 0 0 "[ . 1 . 2 ]" 1
617 1 32 ASP HB3 1 33 SER H 2.600 . 3.300 2.944 2.242 3.626 0.326 19 0 "[ . 1 . 2 ]" 1
618 1 33 SER H 1 33 SER HA 2.700 . 3.400 2.852 2.770 2.938 . 0 0 "[ . 1 . 2 ]" 1
619 1 33 SER H 1 33 SER QB 2.600 . 3.300 2.287 1.924 2.710 . 0 0 "[ . 1 . 2 ]" 1
620 1 33 SER H 1 34 ALA H 2.800 . 3.600 2.675 2.395 2.930 . 0 0 "[ . 1 . 2 ]" 1
621 1 33 SER H 1 34 ALA MB 3.400 . 4.900 4.232 3.883 4.469 . 0 0 "[ . 1 . 2 ]" 1
622 1 33 SER H 1 35 LYS H 3.400 . 4.900 4.175 3.805 4.437 . 0 0 "[ . 1 . 2 ]" 1
623 1 33 SER H 1 36 GLN H 3.700 . 5.400 5.334 5.087 5.424 0.024 18 0 "[ . 1 . 2 ]" 1
624 1 33 SER HA 1 34 ALA H 3.300 . 4.400 3.520 3.475 3.559 . 0 0 "[ . 1 . 2 ]" 1
625 1 33 SER HA 1 35 LYS H 3.500 . 5.000 4.417 4.067 4.770 . 0 0 "[ . 1 . 2 ]" 1
626 1 33 SER HA 1 35 LYS HB3 4.000 . 5.500 4.985 4.632 5.190 . 0 0 "[ . 1 . 2 ]" 1
627 1 33 SER HA 1 36 GLN H 3.200 . 4.200 3.969 3.750 4.145 . 0 0 "[ . 1 . 2 ]" 1
628 1 33 SER HA 1 36 GLN HB2 4.000 . 5.500 3.660 3.280 3.987 . 0 0 "[ . 1 . 2 ]" 1
629 1 33 SER HA 1 36 GLN HB3 4.000 . 5.500 5.176 4.737 5.508 0.008 23 0 "[ . 1 . 2 ]" 1
630 1 33 SER HA 1 36 GLN QG 4.000 . 5.500 3.411 2.691 3.890 . 0 0 "[ . 1 . 2 ]" 1
631 1 33 SER HA 1 37 PHE H 3.600 . 5.200 4.946 4.548 5.222 0.022 6 0 "[ . 1 . 2 ]" 1
632 1 33 SER QB 1 34 ALA H 2.900 . 3.700 2.923 2.653 3.540 . 0 0 "[ . 1 . 2 ]" 1
633 1 34 ALA H 1 34 ALA HA 2.800 . 3.600 2.932 2.906 2.954 . 0 0 "[ . 1 . 2 ]" 1
634 1 34 ALA H 1 34 ALA MB 2.400 . 3.000 2.078 1.947 2.191 . 0 0 "[ . 1 . 2 ]" 1
635 1 34 ALA H 1 35 LYS H 2.700 . 3.400 2.427 2.329 2.482 . 0 0 "[ . 1 . 2 ]" 1
636 1 34 ALA H 1 35 LYS HA 3.500 . 5.000 4.985 4.890 5.029 0.029 21 0 "[ . 1 . 2 ]" 1
637 1 34 ALA H 1 35 LYS HB2 4.000 . 5.900 4.328 4.020 4.575 . 0 0 "[ . 1 . 2 ]" 1
638 1 34 ALA H 1 35 LYS HB3 4.200 . 6.000 5.568 5.390 5.713 . 0 0 "[ . 1 . 2 ]" 1
639 1 34 ALA H 1 35 LYS HD3 3.600 . 5.200 4.399 3.904 5.274 0.074 10 0 "[ . 1 . 2 ]" 1
640 1 34 ALA H 1 36 GLN H 3.500 . 5.000 4.304 4.056 4.563 . 0 0 "[ . 1 . 2 ]" 1
641 1 34 ALA HA 1 35 LYS H 3.200 . 4.200 3.536 3.481 3.573 . 0 0 "[ . 1 . 2 ]" 1
642 1 34 ALA HA 1 36 GLN H 3.600 . 5.200 4.306 3.743 4.622 . 0 0 "[ . 1 . 2 ]" 1
643 1 34 ALA HA 1 37 PHE H 2.900 . 3.700 3.349 3.187 3.557 . 0 0 "[ . 1 . 2 ]" 1
644 1 34 ALA HA 1 37 PHE HB2 4.000 . 5.000 2.635 2.278 2.981 . 0 0 "[ . 1 . 2 ]" 1
645 1 34 ALA HA 1 37 PHE HB3 4.000 . 5.000 3.348 2.919 3.603 . 0 0 "[ . 1 . 2 ]" 1
646 1 34 ALA HA 1 38 LEU H 3.200 . 4.500 4.453 4.136 4.547 0.047 22 0 "[ . 1 . 2 ]" 1
647 1 34 ALA MB 1 35 LYS H 2.600 . 3.300 2.669 2.437 2.913 . 0 0 "[ . 1 . 2 ]" 1
648 1 34 ALA MB 1 38 LEU H 3.400 . 4.900 4.625 4.281 4.876 . 0 0 "[ . 1 . 2 ]" 1
649 1 35 LYS H 1 35 LYS HA 2.600 . 3.300 2.827 2.798 2.870 . 0 0 "[ . 1 . 2 ]" 1
650 1 35 LYS H 1 35 LYS HB2 2.500 . 3.100 2.255 1.985 2.545 . 0 0 "[ . 1 . 2 ]" 1
651 1 35 LYS H 1 35 LYS HB3 2.800 . 3.600 3.480 3.358 3.531 . 0 0 "[ . 1 . 2 ]" 1
652 1 35 LYS H 1 35 LYS QE 3.600 . 4.900 4.512 3.364 4.953 0.053 10 0 "[ . 1 . 2 ]" 1
653 1 35 LYS H 1 35 LYS HG2 2.200 . 3.000 2.542 1.950 3.753 0.753 10 1 "[ . + . 2 ]" 1
654 1 35 LYS H 1 35 LYS HG3 2.700 . 3.700 3.021 2.043 3.728 0.028 3 0 "[ . 1 . 2 ]" 1
655 1 35 LYS H 1 36 GLN H 2.700 . 3.400 2.825 2.629 2.966 . 0 0 "[ . 1 . 2 ]" 1
656 1 35 LYS H 1 36 GLN QG 3.600 . 5.200 4.411 4.036 4.777 . 0 0 "[ . 1 . 2 ]" 1
657 1 35 LYS H 1 37 PHE H 3.200 . 4.500 4.240 4.013 4.488 . 0 0 "[ . 1 . 2 ]" 1
658 1 35 LYS HA 1 36 GLN H 2.600 . 3.600 2.741 2.711 2.771 . 0 0 "[ . 1 . 2 ]" 1
659 1 35 LYS HA 1 38 LEU H 2.700 . 3.400 3.233 3.055 3.294 . 0 0 "[ . 1 . 2 ]" 1
660 1 35 LYS HA 1 39 GLN H 2.900 . 3.700 3.434 3.355 3.527 . 0 0 "[ . 1 . 2 ]" 1
661 1 35 LYS HA 1 39 GLN HE21 4.000 . 5.900 3.738 2.222 5.035 . 0 0 "[ . 1 . 2 ]" 1
662 1 35 LYS HA 1 39 GLN HE22 4.200 . 6.000 4.699 2.995 5.877 . 0 0 "[ . 1 . 2 ]" 1
663 1 35 LYS HA 1 38 LEU H 2.500 . 3.400 3.290 3.107 3.357 . 0 0 "[ . 1 . 2 ]" 1
664 1 35 LYS HA 1 38 LEU HB2 4.000 . 5.000 3.194 2.701 3.450 . 0 0 "[ . 1 . 2 ]" 1
665 1 35 LYS HA 1 38 LEU HB3 4.000 . 5.000 4.724 4.202 5.015 0.015 21 0 "[ . 1 . 2 ]" 1
666 1 35 LYS HA 1 38 LEU QD 3.000 . 3.800 2.817 1.919 3.363 . 0 0 "[ . 1 . 2 ]" 1
667 1 35 LYS HB2 1 36 GLN H 3.000 . 3.900 2.512 2.212 2.993 . 0 0 "[ . 1 . 2 ]" 1
668 1 35 LYS HB2 1 37 PHE H 3.100 . 4.400 4.344 3.991 4.454 0.054 6 0 "[ . 1 . 2 ]" 1
669 1 35 LYS HB2 1 39 GLN HE21 3.900 . 5.700 3.370 2.333 4.335 . 0 0 "[ . 1 . 2 ]" 1
670 1 35 LYS HB2 1 39 GLN HE22 4.100 . 6.000 3.841 3.350 4.394 . 0 0 "[ . 1 . 2 ]" 1
671 1 35 LYS HB3 1 36 GLN H 2.700 . 3.700 3.042 2.949 3.172 . 0 0 "[ . 1 . 2 ]" 1
672 1 35 LYS HB3 1 39 GLN HE22 4.200 . 6.000 4.869 3.543 5.875 . 0 0 "[ . 1 . 2 ]" 1
673 1 35 LYS HB3 1 39 GLN HE21 3.900 . 5.700 4.322 3.376 5.949 0.249 2 0 "[ . 1 . 2 ]" 1
674 1 35 LYS QD 1 36 GLN H 3.400 . 4.900 4.788 4.371 4.963 0.063 8 0 "[ . 1 . 2 ]" 1
675 1 35 LYS QD 1 39 GLN H 3.800 . 5.500 4.644 4.266 5.315 . 0 0 "[ . 1 . 2 ]" 1
676 1 35 LYS QD 1 39 GLN HE21 4.200 . 6.000 3.780 2.719 4.563 . 0 0 "[ . 1 . 2 ]" 1
677 1 35 LYS HD2 1 39 GLN HE22 4.200 . 6.000 4.265 3.320 5.338 . 0 0 "[ . 1 . 2 ]" 1
678 1 35 LYS HG3 1 36 GLN H 3.900 . 5.700 4.666 4.073 5.298 . 0 0 "[ . 1 . 2 ]" 1
679 1 36 GLN H 1 36 GLN HA 2.600 . 3.300 2.846 2.806 2.904 . 0 0 "[ . 1 . 2 ]" 1
680 1 36 GLN H 1 36 GLN HB2 2.600 . 3.300 2.304 2.132 2.425 . 0 0 "[ . 1 . 2 ]" 1
681 1 36 GLN H 1 36 GLN HB3 2.700 . 3.400 3.489 3.446 3.507 0.107 6 0 "[ . 1 . 2 ]" 1
682 1 36 GLN H 1 36 GLN HG2 2.400 . 3.000 2.319 1.943 2.759 . 0 0 "[ . 1 . 2 ]" 1
683 1 36 GLN H 1 36 GLN HG3 2.400 . 3.000 2.921 2.699 3.031 0.031 12 0 "[ . 1 . 2 ]" 1
684 1 36 GLN H 1 37 PHE H 2.700 . 3.400 2.723 2.582 2.846 . 0 0 "[ . 1 . 2 ]" 1
685 1 36 GLN H 1 37 PHE HB3 3.800 . 5.500 5.227 4.993 5.357 . 0 0 "[ . 1 . 2 ]" 1
686 1 36 GLN H 1 38 LEU H 3.400 . 4.900 4.618 4.248 4.866 . 0 0 "[ . 1 . 2 ]" 1
687 1 36 GLN H 1 68 VAL QG 3.500 . 5.000 4.658 4.300 4.919 . 0 0 "[ . 1 . 2 ]" 1
688 1 36 GLN H 1 86 THR HA 3.900 . 5.700 5.275 4.842 5.683 . 0 0 "[ . 1 . 2 ]" 1
689 1 36 GLN H 1 87 LYS H 4.000 . 5.900 5.612 5.304 5.879 . 0 0 "[ . 1 . 2 ]" 1
690 1 36 GLN HA 1 36 GLN HE21 3.100 . 4.400 2.668 1.956 3.317 . 0 0 "[ . 1 . 2 ]" 1
691 1 36 GLN HA 1 36 GLN HE22 3.500 . 5.000 3.951 3.540 4.210 . 0 0 "[ . 1 . 2 ]" 1
692 1 36 GLN HA 1 36 GLN HG2 4.000 . 5.500 2.433 2.226 2.641 . 0 0 "[ . 1 . 2 ]" 1
693 1 36 GLN HA 1 40 ALA H 3.700 . 5.400 3.432 3.343 3.511 . 0 0 "[ . 1 . 2 ]" 1
694 1 36 GLN HA 1 39 GLN HB2 4.000 . 5.000 2.675 2.283 3.201 . 0 0 "[ . 1 . 2 ]" 1
695 1 36 GLN HA 1 39 GLN HB3 4.000 . 5.000 4.140 3.590 4.816 . 0 0 "[ . 1 . 2 ]" 1
696 1 36 GLN HA 1 87 LYS H 3.300 . 4.700 3.939 3.523 4.249 . 0 0 "[ . 1 . 2 ]" 1
697 1 36 GLN HB2 1 37 PHE H 2.900 . 3.700 2.515 2.280 2.720 . 0 0 "[ . 1 . 2 ]" 1
698 1 36 GLN HB2 1 85 VAL QG 4.000 . 5.500 3.290 2.614 3.757 . 0 0 "[ . 1 . 2 ]" 1
699 1 36 GLN HB2 1 86 THR HA 4.000 . 5.000 3.200 2.733 3.711 . 0 0 "[ . 1 . 2 ]" 1
700 1 36 GLN HB2 1 87 LYS H 3.100 . 4.400 3.940 3.604 4.161 . 0 0 "[ . 1 . 2 ]" 1
701 1 36 GLN HB3 1 36 GLN HE21 3.300 . 4.700 3.292 1.998 3.953 . 0 0 "[ . 1 . 2 ]" 1
702 1 36 GLN HB3 1 36 GLN HE22 3.700 . 5.400 3.337 2.764 3.810 . 0 0 "[ . 1 . 2 ]" 1
703 1 36 GLN HB3 1 37 PHE H 2.900 . 4.000 3.507 3.275 3.653 . 0 0 "[ . 1 . 2 ]" 1
704 1 36 GLN HB3 1 40 ALA H 4.200 . 6.000 4.572 4.324 4.913 . 0 0 "[ . 1 . 2 ]" 1
705 1 36 GLN HB3 1 86 THR H 3.800 . 5.500 4.742 4.513 5.031 . 0 0 "[ . 1 . 2 ]" 1
706 1 36 GLN HB3 1 86 THR HA 4.000 . 5.000 2.439 2.080 2.784 . 0 0 "[ . 1 . 2 ]" 1
707 1 36 GLN HB3 1 86 THR HB 4.000 . 5.000 4.379 3.845 4.816 . 0 0 "[ . 1 . 2 ]" 1
708 1 36 GLN HB3 1 87 LYS H 2.300 . 3.100 2.171 1.891 2.342 . 0 0 "[ . 1 . 2 ]" 1
709 1 36 GLN HE21 1 36 GLN HG2 2.500 . 3.400 2.397 2.247 3.013 . 0 0 "[ . 1 . 2 ]" 1
710 1 36 GLN HE21 1 39 GLN HE21 4.200 . 6.000 4.023 2.871 5.745 . 0 0 "[ . 1 . 2 ]" 1
711 1 36 GLN HE21 1 39 GLN HE22 4.000 . 5.900 4.327 2.415 5.716 . 0 0 "[ . 1 . 2 ]" 1
712 1 36 GLN HE21 1 87 LYS H 3.600 . 5.200 3.613 2.239 4.384 . 0 0 "[ . 1 . 2 ]" 1
713 1 36 GLN HE21 1 87 LYS HB2 3.600 . 5.200 3.339 2.126 4.264 . 0 0 "[ . 1 . 2 ]" 1
714 1 36 GLN HE21 1 87 LYS QD 3.400 . 4.900 4.202 3.329 4.906 0.006 6 0 "[ . 1 . 2 ]" 1
715 1 36 GLN HE22 1 89 ASN H 3.600 . 5.200 5.043 4.799 5.226 0.026 4 0 "[ . 1 . 2 ]" 1
716 1 36 GLN HE22 1 86 THR MG 4.000 . 5.900 4.320 3.664 4.717 . 0 0 "[ . 1 . 2 ]" 1
717 1 36 GLN HE22 1 87 LYS HB2 3.900 . 5.700 3.111 2.291 3.812 . 0 0 "[ . 1 . 2 ]" 1
718 1 36 GLN QG 1 37 PHE H 3.100 . 4.400 4.011 3.809 4.189 . 0 0 "[ . 1 . 2 ]" 1
719 1 36 GLN QG 1 85 VAL QG 4.000 . 5.500 4.179 3.536 4.867 . 0 0 "[ . 1 . 2 ]" 1
720 1 36 GLN QG 1 86 THR H 4.000 . 5.900 5.717 5.414 5.901 0.001 13 0 "[ . 1 . 2 ]" 1
721 1 36 GLN QG 1 86 THR HA 3.000 . 3.500 3.180 2.931 3.469 . 0 0 "[ . 1 . 2 ]" 1
722 1 36 GLN QG 1 86 THR MG 4.000 . 5.000 3.510 2.828 4.118 . 0 0 "[ . 1 . 2 ]" 1
723 1 36 GLN QG 1 87 LYS H 2.900 . 4.000 3.783 3.536 4.001 0.001 7 0 "[ . 1 . 2 ]" 1
724 1 37 PHE H 1 37 PHE HA 2.600 . 3.300 2.806 2.784 2.876 . 0 0 "[ . 1 . 2 ]" 1
725 1 37 PHE H 1 37 PHE HB2 2.500 . 3.100 2.047 2.026 2.088 . 0 0 "[ . 1 . 2 ]" 1
726 1 37 PHE H 1 37 PHE HB3 2.500 . 3.100 2.883 2.808 2.907 . 0 0 "[ . 1 . 2 ]" 1
727 1 37 PHE H 1 37 PHE QD 2.900 . 3.700 3.763 3.734 3.834 0.134 17 0 "[ . 1 . 2 ]" 1
728 1 37 PHE H 1 38 LEU H 2.700 . 3.400 2.997 2.788 3.086 . 0 0 "[ . 1 . 2 ]" 1
729 1 37 PHE H 1 38 LEU H 2.400 . 3.000 2.657 2.587 2.712 . 0 0 "[ . 1 . 2 ]" 1
730 1 37 PHE H 1 87 LYS H 3.400 . 4.900 4.835 4.558 4.936 0.036 21 0 "[ . 1 . 2 ]" 1
731 1 37 PHE H 1 40 ALA MB 3.500 . 5.000 3.617 3.410 3.761 . 0 0 "[ . 1 . 2 ]" 1
732 1 37 PHE H 1 68 VAL QG 2.800 . 3.900 3.725 3.484 3.871 . 0 0 "[ . 1 . 2 ]" 1
733 1 37 PHE H 1 90 LEU MD1 2.900 . 3.700 3.432 3.160 3.689 . 0 0 "[ . 1 . 2 ]" 1
734 1 37 PHE HA 1 38 LEU QD 4.000 . 5.500 3.746 3.462 3.976 . 0 0 "[ . 1 . 2 ]" 1
735 1 37 PHE HA 1 40 ALA MB 3.000 . 3.500 2.788 2.270 3.188 . 0 0 "[ . 1 . 2 ]" 1
736 1 37 PHE HA 1 41 ALA H 3.900 . 5.700 4.064 3.754 4.533 . 0 0 "[ . 1 . 2 ]" 1
737 1 37 PHE HA 1 90 LEU MD1 3.000 . 3.500 2.020 1.861 2.251 . 0 0 "[ . 1 . 2 ]" 1
738 1 37 PHE HB2 1 38 LEU H 2.900 . 3.700 3.317 3.259 3.443 . 0 0 "[ . 1 . 2 ]" 1
739 1 37 PHE HB2 1 38 LEU QD 4.000 . 5.500 3.446 3.042 3.915 . 0 0 "[ . 1 . 2 ]" 1
740 1 37 PHE HB2 1 90 LEU MD1 4.000 . 5.000 3.441 3.102 3.784 . 0 0 "[ . 1 . 2 ]" 1
741 1 37 PHE HB3 1 38 LEU H 2.700 . 3.700 2.137 1.987 2.306 . 0 0 "[ . 1 . 2 ]" 1
742 1 37 PHE HB3 1 38 LEU QD 4.000 . 5.500 3.466 2.377 3.919 . 0 0 "[ . 1 . 2 ]" 1
743 1 37 PHE HB3 1 51 ILE MD 4.000 . 5.500 3.108 2.588 3.631 . 0 0 "[ . 1 . 2 ]" 1
744 1 37 PHE HB3 1 90 LEU MD1 4.000 . 5.000 4.281 4.072 4.576 . 0 0 "[ . 1 . 2 ]" 1
745 1 37 PHE QD 1 38 LEU H 2.900 . 3.700 3.699 3.632 3.768 0.068 22 0 "[ . 1 . 2 ]" 1
746 1 37 PHE QD 1 39 GLN H 3.700 . 5.400 4.421 3.088 5.040 . 0 0 "[ . 1 . 2 ]" 1
747 1 37 PHE QD 1 51 ILE MD 4.000 . 5.500 2.671 1.923 3.309 . 0 0 "[ . 1 . 2 ]" 1
748 1 37 PHE QD 1 90 LEU MD1 4.000 . 5.000 2.264 1.862 2.785 . 0 0 "[ . 1 . 2 ]" 1
749 1 37 PHE QD 1 90 LEU MD2 4.000 . 5.500 2.713 2.165 3.150 . 0 0 "[ . 1 . 2 ]" 1
750 1 37 PHE QE 1 50 GLY H 2.800 . 3.900 3.637 3.152 3.947 0.047 16 0 "[ . 1 . 2 ]" 1
751 1 37 PHE QE 1 51 ILE HA 4.000 . 5.500 4.382 3.660 5.145 . 0 0 "[ . 1 . 2 ]" 1
752 1 37 PHE QE 1 51 ILE HB 4.000 . 5.500 3.320 2.416 3.859 . 0 0 "[ . 1 . 2 ]" 1
753 1 37 PHE QE 1 68 VAL H 3.900 . 5.700 5.516 4.808 5.737 0.037 20 0 "[ . 1 . 2 ]" 1
754 1 37 PHE QE 1 69 VAL H 3.700 . 5.400 5.189 4.760 5.410 0.010 21 0 "[ . 1 . 2 ]" 1
755 1 38 LEU H 1 38 LEU HA 2.700 . 3.400 2.799 2.771 2.827 . 0 0 "[ . 1 . 2 ]" 1
756 1 38 LEU H 1 38 LEU HB2 2.700 . 3.400 2.212 2.107 2.539 . 0 0 "[ . 1 . 2 ]" 1
757 1 38 LEU H 1 38 LEU HB2 2.100 . 2.800 2.016 1.847 2.200 . 0 0 "[ . 1 . 2 ]" 1
758 1 38 LEU H 1 38 LEU HB3 2.500 . 3.400 3.474 3.448 3.526 0.126 22 0 "[ . 1 . 2 ]" 1
759 1 38 LEU H 1 38 LEU HB3 2.200 . 2.700 2.389 1.890 2.825 0.125 5 0 "[ . 1 . 2 ]" 1
760 1 38 LEU H 1 38 LEU QD 2.500 . 3.100 2.869 1.894 3.160 0.060 7 0 "[ . 1 . 2 ]" 1
761 1 38 LEU H 1 39 GLN H 2.800 . 3.900 2.976 2.829 3.094 . 0 0 "[ . 1 . 2 ]" 1
762 1 38 LEU H 1 39 GLN HG3 3.600 . 5.200 4.953 4.497 5.239 0.039 8 0 "[ . 1 . 2 ]" 1
763 1 38 LEU H 1 40 ALA H 3.800 . 5.500 4.345 4.088 4.584 . 0 0 "[ . 1 . 2 ]" 1
764 1 38 LEU H 1 40 ALA MB 3.700 . 5.400 4.823 4.524 5.095 . 0 0 "[ . 1 . 2 ]" 1
765 1 38 LEU H 1 41 ALA H 4.000 . 5.900 4.665 4.516 4.940 . 0 0 "[ . 1 . 2 ]" 1
766 1 38 LEU H 1 41 ALA MB 3.500 . 5.000 4.383 4.092 4.861 . 0 0 "[ . 1 . 2 ]" 1
767 1 38 LEU H 1 42 GLU H 4.300 . 6.000 6.001 5.918 6.036 0.036 10 0 "[ . 1 . 2 ]" 1
768 1 38 LEU H 1 90 LEU MD1 3.700 . 5.400 4.881 4.709 5.112 . 0 0 "[ . 1 . 2 ]" 1
769 1 38 LEU HA 1 39 GLN H 3.300 . 4.400 3.585 3.569 3.593 . 0 0 "[ . 1 . 2 ]" 1
770 1 38 LEU HA 1 41 ALA H 3.200 . 4.200 3.487 3.249 3.791 . 0 0 "[ . 1 . 2 ]" 1
771 1 38 LEU HA 1 41 ALA MB 3.000 . 3.500 2.507 2.255 2.904 . 0 0 "[ . 1 . 2 ]" 1
772 1 38 LEU HA 1 42 GLU H 4.000 . 5.900 4.140 3.943 4.530 . 0 0 "[ . 1 . 2 ]" 1
773 1 38 LEU HB2 1 39 GLN H 2.800 . 3.600 2.365 2.081 2.485 . 0 0 "[ . 1 . 2 ]" 1
774 1 38 LEU HB3 1 39 GLN H 3.200 . 4.200 3.042 2.902 3.329 . 0 0 "[ . 1 . 2 ]" 1
775 1 38 LEU QD 1 39 GLN H 3.300 . 4.400 3.826 3.509 3.949 . 0 0 "[ . 1 . 2 ]" 1
776 1 38 LEU QD 1 40 ALA H 3.600 . 5.200 4.329 3.926 4.700 . 0 0 "[ . 1 . 2 ]" 1
777 1 38 LEU QD 1 41 ALA MB 4.000 . 5.500 3.429 2.944 4.202 . 0 0 "[ . 1 . 2 ]" 1
778 1 38 LEU QD 1 42 GLU H 3.900 . 5.700 4.540 4.220 5.024 . 0 0 "[ . 1 . 2 ]" 1
779 1 39 GLN H 1 39 GLN HA 2.800 . 3.600 2.805 2.785 2.830 . 0 0 "[ . 1 . 2 ]" 1
780 1 39 GLN H 1 39 GLN HB2 2.700 . 3.400 2.341 2.122 2.530 . 0 0 "[ . 1 . 2 ]" 1
781 1 39 GLN H 1 39 GLN HB3 2.800 . 3.600 3.508 3.457 3.535 . 0 0 "[ . 1 . 2 ]" 1
782 1 39 GLN H 1 39 GLN HE21 4.000 . 5.900 4.408 3.056 5.193 . 0 0 "[ . 1 . 2 ]" 1
783 1 39 GLN H 1 39 GLN HG2 3.000 . 3.900 2.889 1.950 3.853 . 0 0 "[ . 1 . 2 ]" 1
784 1 39 GLN H 1 39 GLN HG3 2.700 . 3.400 2.441 2.010 2.850 . 0 0 "[ . 1 . 2 ]" 1
785 1 39 GLN H 1 40 ALA H 2.900 . 3.700 2.903 2.777 3.061 . 0 0 "[ . 1 . 2 ]" 1
786 1 39 GLN H 1 42 GLU H 3.600 . 5.200 3.854 3.679 4.112 . 0 0 "[ . 1 . 2 ]" 1
787 1 39 GLN H 1 40 ALA MB 3.400 . 4.900 4.388 4.234 4.526 . 0 0 "[ . 1 . 2 ]" 1
788 1 39 GLN H 1 41 ALA H 3.400 . 4.900 4.248 3.968 4.747 . 0 0 "[ . 1 . 2 ]" 1
789 1 39 GLN H 1 41 ALA MB 4.200 . 6.000 4.719 4.426 5.200 . 0 0 "[ . 1 . 2 ]" 1
790 1 39 GLN H 1 42 GLU H 4.000 . 5.900 4.780 4.616 5.242 . 0 0 "[ . 1 . 2 ]" 1
791 1 39 GLN HA 1 39 GLN HE21 4.200 . 6.000 4.873 3.874 5.237 . 0 0 "[ . 1 . 2 ]" 1
792 1 39 GLN HA 1 40 ALA H 3.200 . 4.500 3.577 3.528 3.594 . 0 0 "[ . 1 . 2 ]" 1
793 1 39 GLN HA 1 41 ALA H 3.500 . 5.000 4.307 3.968 4.645 . 0 0 "[ . 1 . 2 ]" 1
794 1 39 GLN HA 1 41 ALA MB 4.000 . 5.500 3.730 3.632 3.798 . 0 0 "[ . 1 . 2 ]" 1
795 1 39 GLN HA 1 42 GLU H 2.600 . 3.600 2.772 2.716 2.838 . 0 0 "[ . 1 . 2 ]" 1
796 1 39 GLN HA 1 43 ALA H 3.000 . 4.200 3.416 3.323 3.513 . 0 0 "[ . 1 . 2 ]" 1
797 1 39 GLN HB2 1 39 GLN HE21 4.400 . 6.000 3.488 2.282 4.513 . 0 0 "[ . 1 . 2 ]" 1
798 1 39 GLN HB2 1 39 GLN HE22 4.700 . 6.000 4.400 3.554 4.848 . 0 0 "[ . 1 . 2 ]" 1
799 1 39 GLN HB2 1 40 ALA H 2.900 . 3.700 2.477 2.156 2.874 . 0 0 "[ . 1 . 2 ]" 1
800 1 39 GLN HB2 1 87 LYS QD 4.000 . 5.500 2.939 2.149 4.170 . 0 0 "[ . 1 . 2 ]" 1
801 1 39 GLN HB3 1 40 ALA H 3.200 . 4.500 3.380 2.974 3.793 . 0 0 "[ . 1 . 2 ]" 1
802 1 39 GLN HB3 1 40 ALA MB 4.000 . 5.500 3.207 2.946 3.412 . 0 0 "[ . 1 . 2 ]" 1
803 1 39 GLN HB3 1 87 LYS QD 4.000 . 5.500 2.179 1.928 3.700 . 0 0 "[ . 1 . 2 ]" 1
804 1 39 GLN HE21 1 39 GLN HG2 3.500 . 5.000 3.278 2.253 3.622 . 0 0 "[ . 1 . 2 ]" 1
805 1 39 GLN HE21 1 39 GLN HG3 3.100 . 4.400 2.551 2.246 3.609 . 0 0 "[ . 1 . 2 ]" 1
806 1 39 GLN HE22 1 39 GLN HG2 3.700 . 5.400 3.962 3.515 4.125 . 0 0 "[ . 1 . 2 ]" 1
807 1 39 GLN HE22 1 39 GLN HG3 3.400 . 4.900 3.636 3.510 4.119 . 0 0 "[ . 1 . 2 ]" 1
808 1 39 GLN HG2 1 40 ALA H 3.800 . 5.500 4.692 4.270 5.058 . 0 0 "[ . 1 . 2 ]" 1
809 1 39 GLN HG3 1 40 ALA H 3.700 . 5.400 4.427 4.145 4.720 . 0 0 "[ . 1 . 2 ]" 1
810 1 39 GLN HG3 1 42 GLU H 4.500 . 6.000 5.822 5.411 6.285 0.285 3 0 "[ . 1 . 2 ]" 1
811 1 40 ALA H 1 40 ALA HA 2.700 . 3.400 2.875 2.819 2.922 . 0 0 "[ . 1 . 2 ]" 1
812 1 40 ALA H 1 40 ALA HA 2.700 . 3.700 2.811 2.743 2.883 . 0 0 "[ . 1 . 2 ]" 1
813 1 40 ALA H 1 40 ALA MB 2.300 . 2.800 2.002 1.913 2.148 . 0 0 "[ . 1 . 2 ]" 1
814 1 40 ALA H 1 41 ALA H 2.700 . 3.400 2.668 2.465 2.841 . 0 0 "[ . 1 . 2 ]" 1
815 1 40 ALA H 1 41 ALA MB 3.500 . 5.000 4.190 4.049 4.406 . 0 0 "[ . 1 . 2 ]" 1
816 1 40 ALA H 1 42 GLU H 3.800 . 5.500 3.998 3.753 4.138 . 0 0 "[ . 1 . 2 ]" 1
817 1 40 ALA H 1 87 LYS H 4.100 . 6.000 5.478 5.110 5.745 . 0 0 "[ . 1 . 2 ]" 1
818 1 40 ALA H 1 87 LYS HG3 3.600 . 5.200 2.766 2.297 3.336 . 0 0 "[ . 1 . 2 ]" 1
819 1 40 ALA H 1 90 LEU MD1 3.800 . 5.500 3.815 3.251 4.147 . 0 0 "[ . 1 . 2 ]" 1
820 1 40 ALA H 1 91 LEU MD1 4.000 . 5.500 4.073 3.685 4.350 . 0 0 "[ . 1 . 2 ]" 1
821 1 40 ALA H 1 91 LEU MD2 4.000 . 5.500 4.620 4.118 4.892 . 0 0 "[ . 1 . 2 ]" 1
822 1 40 ALA HA 1 41 ALA H 3.200 . 4.500 3.561 3.500 3.591 . 0 0 "[ . 1 . 2 ]" 1
823 1 40 ALA HA 1 42 GLU H 4.000 . 5.500 4.250 4.071 4.547 . 0 0 "[ . 1 . 2 ]" 1
824 1 40 ALA HA 1 42 GLU HB2 4.000 . 5.500 3.384 2.595 3.973 . 0 0 "[ . 1 . 2 ]" 1
825 1 40 ALA HA 1 43 ALA H 3.200 . 4.200 3.476 3.150 3.786 . 0 0 "[ . 1 . 2 ]" 1
826 1 40 ALA HA 1 43 ALA MB 3.000 . 3.500 2.767 2.107 3.286 . 0 0 "[ . 1 . 2 ]" 1
827 1 40 ALA HA 1 44 ILE H 4.700 . 6.000 4.940 4.207 5.826 . 0 0 "[ . 1 . 2 ]" 1
828 1 40 ALA HA 1 87 LYS QD 4.000 . 5.500 3.504 2.800 4.236 . 0 0 "[ . 1 . 2 ]" 1
829 1 40 ALA HA 1 87 LYS HE3 4.000 . 5.500 3.411 2.254 4.453 . 0 0 "[ . 1 . 2 ]" 1
830 1 40 ALA HA 1 87 LYS HG3 4.000 . 5.500 2.446 1.942 3.132 . 0 0 "[ . 1 . 2 ]" 1
831 1 40 ALA HA 1 91 LEU MD1 3.000 . 3.800 2.793 2.037 3.995 0.195 23 0 "[ . 1 . 2 ]" 1
832 1 40 ALA HA 1 91 LEU MD2 4.000 . 5.500 3.542 2.460 4.485 . 0 0 "[ . 1 . 2 ]" 1
833 1 40 ALA MB 1 41 ALA H 2.800 . 3.600 2.539 2.140 2.829 . 0 0 "[ . 1 . 2 ]" 1
834 1 40 ALA MB 1 41 ALA MB 4.000 . 5.500 3.634 3.412 3.782 . 0 0 "[ . 1 . 2 ]" 1
835 1 40 ALA MB 1 42 GLU H 3.700 . 5.400 4.400 4.194 4.708 . 0 0 "[ . 1 . 2 ]" 1
836 1 40 ALA MB 1 49 PHE QE 4.000 . 5.500 3.769 2.496 5.510 0.010 20 0 "[ . 1 . 2 ]" 1
837 1 40 ALA MB 1 68 VAL QG 4.000 . 5.500 3.399 1.940 3.944 . 0 0 "[ . 1 . 2 ]" 1
838 1 40 ALA MB 1 90 LEU H 3.300 . 4.700 4.246 3.819 4.619 . 0 0 "[ . 1 . 2 ]" 1
839 1 40 ALA MB 1 91 LEU H 3.800 . 5.500 3.404 2.892 3.948 . 0 0 "[ . 1 . 2 ]" 1
840 1 41 ALA H 1 41 ALA HA 2.600 . 3.600 2.832 2.790 2.874 . 0 0 "[ . 1 . 2 ]" 1
841 1 41 ALA H 1 41 ALA MB 2.400 . 3.300 2.059 1.920 2.151 . 0 0 "[ . 1 . 2 ]" 1
842 1 41 ALA H 1 42 GLU H 2.900 . 3.700 2.650 2.440 2.796 . 0 0 "[ . 1 . 2 ]" 1
843 1 41 ALA H 1 42 GLU H 2.600 . 3.300 2.319 2.190 2.422 . 0 0 "[ . 1 . 2 ]" 1
844 1 41 ALA H 1 90 LEU MD1 4.400 . 6.000 4.437 3.908 5.079 . 0 0 "[ . 1 . 2 ]" 1
845 1 41 ALA HA 1 43 ALA H 2.700 . 3.700 2.830 2.592 2.989 . 0 0 "[ . 1 . 2 ]" 1
846 1 41 ALA HA 1 49 PHE QD 4.000 . 5.000 3.267 2.573 3.827 . 0 0 "[ . 1 . 2 ]" 1
847 1 41 ALA HA 1 49 PHE HZ 4.000 . 5.500 3.895 3.499 4.445 . 0 0 "[ . 1 . 2 ]" 1
848 1 41 ALA MB 1 42 GLU H 2.800 . 3.900 2.637 2.351 2.837 . 0 0 "[ . 1 . 2 ]" 1
849 1 41 ALA MB 1 43 ALA H 3.600 . 5.200 4.440 4.185 4.765 . 0 0 "[ . 1 . 2 ]" 1
850 1 41 ALA MB 1 44 ILE H 4.200 . 6.000 4.824 4.463 5.190 . 0 0 "[ . 1 . 2 ]" 1
851 1 41 ALA MB 1 49 PHE HB2 4.000 . 5.000 2.795 2.085 3.544 . 0 0 "[ . 1 . 2 ]" 1
852 1 41 ALA MB 1 49 PHE HB3 4.000 . 5.000 2.708 2.087 3.397 . 0 0 "[ . 1 . 2 ]" 1
853 1 41 ALA MB 1 49 PHE QD 4.000 . 5.000 2.129 1.866 2.569 . 0 0 "[ . 1 . 2 ]" 1
854 1 42 GLU H 1 42 GLU HA 2.700 . 3.400 2.885 2.825 2.947 . 0 0 "[ . 1 . 2 ]" 1
855 1 42 GLU H 1 42 GLU HB2 2.500 . 3.400 2.077 2.023 2.227 . 0 0 "[ . 1 . 2 ]" 1
856 1 42 GLU H 1 42 GLU HB3 2.600 . 3.300 3.429 3.392 3.484 0.184 1 0 "[ . 1 . 2 ]" 1
857 1 42 GLU H 1 42 GLU HG2 3.000 . 3.900 3.287 2.306 3.849 . 0 0 "[ . 1 . 2 ]" 1
858 1 42 GLU H 1 42 GLU HG3 3.200 . 4.200 3.443 2.583 4.168 . 0 0 "[ . 1 . 2 ]" 1
859 1 42 GLU H 1 43 ALA H 2.600 . 3.600 2.576 2.325 2.804 . 0 0 "[ . 1 . 2 ]" 1
860 1 42 GLU H 1 43 ALA H 2.300 . 2.800 2.360 2.166 2.506 . 0 0 "[ . 1 . 2 ]" 1
861 1 42 GLU H 1 43 ALA HA 3.800 . 5.500 5.229 5.051 5.431 . 0 0 "[ . 1 . 2 ]" 1
862 1 42 GLU H 1 43 ALA MB 3.200 . 4.500 4.095 3.847 4.272 . 0 0 "[ . 1 . 2 ]" 1
863 1 42 GLU HA 1 43 ALA H 2.900 . 3.700 3.525 3.425 3.585 . 0 0 "[ . 1 . 2 ]" 1
864 1 42 GLU HA 1 44 ILE H 3.700 . 5.100 4.351 3.711 4.937 . 0 0 "[ . 1 . 2 ]" 1
865 1 42 GLU HB2 1 43 ALA H 3.300 . 4.400 2.912 2.619 3.286 . 0 0 "[ . 1 . 2 ]" 1
866 1 42 GLU HB3 1 43 ALA H 2.800 . 3.600 3.506 3.060 4.012 0.412 21 0 "[ . 1 . 2 ]" 1
867 1 42 GLU HG2 1 43 ALA H 3.800 . 5.200 4.905 4.560 5.161 . 0 0 "[ . 1 . 2 ]" 1
868 1 42 GLU HG3 1 43 ALA H 3.600 . 4.900 5.037 4.713 5.395 0.495 8 0 "[ . 1 . 2 ]" 1
869 1 43 ALA H 1 43 ALA HA 2.800 . 3.600 2.862 2.811 3.001 . 0 0 "[ . 1 . 2 ]" 1
870 1 43 ALA H 1 43 ALA MB 2.300 . 2.800 2.042 1.914 2.298 . 0 0 "[ . 1 . 2 ]" 1
871 1 43 ALA H 1 44 ILE H 2.300 . 3.100 2.759 2.465 2.983 . 0 0 "[ . 1 . 2 ]" 1
872 1 43 ALA H 1 44 ILE MD 3.500 . 5.000 4.686 4.302 5.665 0.665 23 1 "[ . 1 . 2 + ]" 1
873 1 43 ALA H 1 44 ILE MG 3.800 . 5.500 4.653 3.631 5.488 . 0 0 "[ . 1 . 2 ]" 1
874 1 43 ALA HA 1 44 ILE H 3.200 . 4.500 3.527 3.040 3.594 . 0 0 "[ . 1 . 2 ]" 1
875 1 43 ALA MB 1 87 LYS HE2 4.000 . 5.000 3.781 2.598 4.923 . 0 0 "[ . 1 . 2 ]" 1
876 1 43 ALA MB 1 87 LYS HE3 4.000 . 5.000 3.375 1.964 4.916 . 0 0 "[ . 1 . 2 ]" 1
877 1 43 ALA MB 1 91 LEU MD2 4.000 . 5.500 2.407 1.934 3.241 . 0 0 "[ . 1 . 2 ]" 1
878 1 44 ILE H 1 44 ILE HA 2.900 . 3.700 2.969 2.956 2.993 . 0 0 "[ . 1 . 2 ]" 1
879 1 44 ILE H 1 44 ILE HB 2.600 . 3.300 2.474 2.209 2.776 . 0 0 "[ . 1 . 2 ]" 1
880 1 44 ILE H 1 44 ILE MD 3.300 . 4.700 3.809 3.383 4.228 . 0 0 "[ . 1 . 2 ]" 1
881 1 44 ILE H 1 44 ILE MG 3.100 . 4.400 2.947 1.907 3.757 . 0 0 "[ . 1 . 2 ]" 1
882 1 44 ILE H 1 45 ASP H 3.700 . 5.100 4.555 4.122 4.639 . 0 0 "[ . 1 . 2 ]" 1
883 1 44 ILE H 1 49 PHE HZ 4.300 . 6.000 5.435 3.415 6.030 0.030 21 0 "[ . 1 . 2 ]" 1
884 1 44 ILE HA 1 45 ASP H 2.400 . 3.000 2.348 2.215 2.610 . 0 0 "[ . 1 . 2 ]" 1
885 1 44 ILE HA 1 46 ASP H 3.100 . 4.400 3.980 3.464 4.538 0.138 21 0 "[ . 1 . 2 ]" 1
886 1 44 ILE HB 1 45 ASP H 3.700 . 5.400 4.099 3.774 4.495 . 0 0 "[ . 1 . 2 ]" 1
887 1 44 ILE HB 1 49 PHE QE 4.000 . 5.500 3.904 2.910 5.265 . 0 0 "[ . 1 . 2 ]" 1
888 1 44 ILE HB 1 49 PHE HZ 4.000 . 5.500 3.969 1.928 5.318 . 0 0 "[ . 1 . 2 ]" 1
889 1 44 ILE MD 1 47 ILE H 4.000 . 5.500 4.444 3.780 5.177 . 0 0 "[ . 1 . 2 ]" 1
890 1 44 ILE MD 1 47 ILE MD 3.000 . 3.800 3.635 2.883 3.850 0.050 6 0 "[ . 1 . 2 ]" 1
891 1 44 ILE MD 1 49 PHE HZ 4.000 . 5.500 3.421 1.792 5.137 0.008 21 0 "[ . 1 . 2 ]" 1
892 1 44 ILE MD 1 95 LYS H 2.900 . 4.000 3.851 3.483 4.049 0.049 22 0 "[ . 1 . 2 ]" 1
893 1 44 ILE MD 1 96 HIS H 4.000 . 5.900 5.134 3.986 6.126 0.226 22 0 "[ . 1 . 2 ]" 1
894 1 44 ILE MG 1 45 ASP H 3.200 . 4.500 2.989 1.978 3.714 . 0 0 "[ . 1 . 2 ]" 1
895 1 44 ILE MG 1 46 ASP H 2.700 . 3.700 2.819 1.948 3.651 . 0 0 "[ . 1 . 2 ]" 1
896 1 44 ILE MG 1 47 ILE H 2.800 . 3.900 2.546 1.847 3.773 . 0 0 "[ . 1 . 2 ]" 1
897 1 44 ILE MG 1 47 ILE MD 4.000 . 5.500 3.243 2.774 3.897 . 0 0 "[ . 1 . 2 ]" 1
898 1 44 ILE MG 1 49 PHE QE 4.000 . 5.500 2.870 2.056 3.640 . 0 0 "[ . 1 . 2 ]" 1
899 1 44 ILE MG 1 49 PHE HZ 4.000 . 5.500 3.438 1.958 5.023 . 0 0 "[ . 1 . 2 ]" 1
900 1 45 ASP H 1 45 ASP HA 2.700 . 3.400 2.979 2.874 3.004 . 0 0 "[ . 1 . 2 ]" 1
901 1 45 ASP H 1 45 ASP HB2 3.000 . 4.200 2.859 2.085 3.696 . 0 0 "[ . 1 . 2 ]" 1
902 1 45 ASP H 1 45 ASP QB 2.900 . 3.700 2.519 1.975 3.056 . 0 0 "[ . 1 . 2 ]" 1
903 1 45 ASP H 1 46 ASP H 2.800 . 3.600 2.319 1.929 3.689 0.089 21 0 "[ . 1 . 2 ]" 1
904 1 45 ASP H 1 47 ILE H 4.000 . 5.900 3.994 3.258 4.555 . 0 0 "[ . 1 . 2 ]" 1
905 1 45 ASP H 1 47 ILE HG13 4.400 . 6.000 5.617 3.532 6.617 0.617 19 1 "[ . 1 . +2 ]" 1
906 1 45 ASP HA 1 46 ASP H 2.700 . 3.700 3.206 2.558 3.569 . 0 0 "[ . 1 . 2 ]" 1
907 1 45 ASP HA 1 47 ILE H 3.500 . 4.700 3.878 3.487 4.798 0.098 14 0 "[ . 1 . 2 ]" 1
908 1 45 ASP HB2 1 47 ILE H 3.400 . 4.900 4.184 3.839 4.422 . 0 0 "[ . 1 . 2 ]" 1
909 1 45 ASP HB3 1 46 ASP H 2.800 . 3.600 3.042 2.200 3.539 . 0 0 "[ . 1 . 2 ]" 1
910 1 46 ASP H 1 46 ASP HA 2.700 . 3.400 2.883 2.349 3.003 . 0 0 "[ . 1 . 2 ]" 1
911 1 46 ASP H 1 46 ASP HB2 2.900 . 4.000 3.250 2.416 3.900 . 0 0 "[ . 1 . 2 ]" 1
912 1 46 ASP H 1 46 ASP HB3 2.700 . 3.700 3.242 2.359 3.784 0.084 16 0 "[ . 1 . 2 ]" 1
913 1 46 ASP H 1 47 ILE H 2.700 . 3.400 2.465 1.971 3.107 . 0 0 "[ . 1 . 2 ]" 1
914 1 46 ASP H 1 47 ILE MD 3.600 . 5.200 4.406 3.901 5.060 . 0 0 "[ . 1 . 2 ]" 1
915 1 46 ASP HA 1 47 ILE H 3.100 . 4.400 3.229 2.706 3.515 . 0 0 "[ . 1 . 2 ]" 1
916 1 46 ASP HB2 1 47 ILE H 3.600 . 5.200 4.343 3.981 4.536 . 0 0 "[ . 1 . 2 ]" 1
917 1 46 ASP HB3 1 47 ILE H 3.800 . 5.200 4.334 3.910 4.643 . 0 0 "[ . 1 . 2 ]" 1
918 1 47 ILE H 1 47 ILE HA 3.000 . 3.900 2.984 2.957 3.001 . 0 0 "[ . 1 . 2 ]" 1
919 1 47 ILE H 1 47 ILE HB 2.800 . 3.600 2.498 2.300 2.718 . 0 0 "[ . 1 . 2 ]" 1
920 1 47 ILE H 1 47 ILE MD 2.900 . 3.700 3.277 3.005 3.416 . 0 0 "[ . 1 . 2 ]" 1
921 1 47 ILE H 1 47 ILE HG12 3.100 . 4.100 2.571 2.102 2.992 . 0 0 "[ . 1 . 2 ]" 1
922 1 47 ILE H 1 47 ILE HG13 3.200 . 4.200 3.901 3.519 4.207 0.007 22 0 "[ . 1 . 2 ]" 1
923 1 47 ILE H 1 48 PRO HD2 3.900 . 5.700 5.031 4.906 5.182 . 0 0 "[ . 1 . 2 ]" 1
924 1 47 ILE H 1 48 PRO HD3 3.700 . 5.400 4.705 4.397 5.062 . 0 0 "[ . 1 . 2 ]" 1
925 1 47 ILE HA 1 47 ILE MD 4.000 . 5.500 1.938 1.897 2.100 . 0 0 "[ . 1 . 2 ]" 1
926 1 47 ILE HA 1 48 PRO HD2 3.000 . 3.500 2.374 2.222 2.654 . 0 0 "[ . 1 . 2 ]" 1
927 1 47 ILE HA 1 48 PRO HD3 2.000 . 2.500 2.152 1.926 2.338 . 0 0 "[ . 1 . 2 ]" 1
928 1 47 ILE HB 1 48 PRO HD2 4.000 . 5.500 4.235 3.974 4.633 . 0 0 "[ . 1 . 2 ]" 1
929 1 47 ILE HB 1 48 PRO HD3 4.000 . 5.500 4.824 4.485 4.985 . 0 0 "[ . 1 . 2 ]" 1
930 1 47 ILE MD 1 48 PRO HG3 4.000 . 5.500 4.084 3.736 4.396 . 0 0 "[ . 1 . 2 ]" 1
931 1 47 ILE MD 1 98 GLN HE21 3.300 . 4.700 3.716 2.023 4.697 . 0 0 "[ . 1 . 2 ]" 1
932 1 47 ILE MD 1 48 PRO HG2 4.000 . 5.000 4.836 4.462 5.071 0.071 6 0 "[ . 1 . 2 ]" 1
933 1 47 ILE MD 1 48 PRO HG3 4.000 . 5.000 4.949 4.645 5.033 0.033 11 0 "[ . 1 . 2 ]" 1
934 1 47 ILE MD 1 49 PHE QD 4.000 . 5.000 4.767 4.435 5.140 0.140 20 0 "[ . 1 . 2 ]" 1
935 1 47 ILE MD 1 98 GLN HE22 3.200 . 4.500 3.465 1.992 4.499 . 0 0 "[ . 1 . 2 ]" 1
936 1 47 ILE HG13 1 98 GLN HE22 4.300 . 6.000 3.841 2.322 5.400 . 0 0 "[ . 1 . 2 ]" 1
937 1 47 ILE MG 1 48 PRO HD2 2.000 . 2.500 2.061 1.746 2.502 0.054 21 0 "[ . 1 . 2 ]" 1
938 1 47 ILE MG 1 48 PRO HD3 3.000 . 3.500 3.216 2.659 3.535 0.035 13 0 "[ . 1 . 2 ]" 1
939 1 47 ILE MG 1 48 PRO HG2 4.000 . 5.500 3.601 2.999 4.202 . 0 0 "[ . 1 . 2 ]" 1
940 1 47 ILE MG 1 49 PHE HA 4.000 . 5.500 3.631 3.289 4.034 . 0 0 "[ . 1 . 2 ]" 1
941 1 47 ILE MG 1 49 PHE QD 4.000 . 5.500 2.248 1.918 2.628 . 0 0 "[ . 1 . 2 ]" 1
942 1 47 ILE MG 1 49 PHE QE 4.000 . 5.500 1.993 1.893 2.525 . 0 0 "[ . 1 . 2 ]" 1
943 1 48 PRO HA 1 49 PHE H 2.100 . 2.500 2.396 2.236 2.549 0.049 9 0 "[ . 1 . 2 ]" 1
944 1 48 PRO HB2 1 49 PHE H 3.200 . 4.500 3.984 3.682 4.089 . 0 0 "[ . 1 . 2 ]" 1
945 1 49 PHE H 1 49 PHE HA 3.000 . 3.900 2.919 2.865 2.995 . 0 0 "[ . 1 . 2 ]" 1
946 1 49 PHE H 1 49 PHE HB2 2.800 . 3.600 2.171 1.978 2.876 . 0 0 "[ . 1 . 2 ]" 1
947 1 49 PHE H 1 49 PHE QD 2.800 . 3.600 2.476 2.129 2.871 . 0 0 "[ . 1 . 2 ]" 1
948 1 49 PHE HA 1 49 PHE QD 4.000 . 5.500 2.775 2.386 3.063 . 0 0 "[ . 1 . 2 ]" 1
949 1 49 PHE HA 1 50 GLY H 2.100 . 2.500 2.254 2.209 2.512 0.012 19 0 "[ . 1 . 2 ]" 1
950 1 49 PHE HB3 1 50 GLY H 2.800 . 3.600 3.402 2.334 3.637 0.037 9 0 "[ . 1 . 2 ]" 1
951 1 49 PHE QE 1 98 GLN H 4.200 . 6.000 5.542 5.386 5.705 . 0 0 "[ . 1 . 2 ]" 1
952 1 50 GLY H 1 50 GLY HA2 2.700 . 3.700 2.989 2.953 2.999 . 0 0 "[ . 1 . 2 ]" 1
953 1 50 GLY H 1 50 GLY HA3 2.700 . 3.400 2.569 2.466 2.696 . 0 0 "[ . 1 . 2 ]" 1
954 1 50 GLY H 1 51 ILE H 3.300 . 4.700 4.486 4.393 4.574 . 0 0 "[ . 1 . 2 ]" 1
955 1 50 GLY HA2 1 51 ILE H 2.400 . 3.000 2.328 2.266 2.383 . 0 0 "[ . 1 . 2 ]" 1
956 1 50 GLY HA3 1 51 ILE H 2.500 . 3.100 2.947 2.856 3.053 . 0 0 "[ . 1 . 2 ]" 1
957 1 51 ILE H 1 51 ILE HB 3.100 . 4.000 3.175 3.078 3.222 . 0 0 "[ . 1 . 2 ]" 1
958 1 51 ILE H 1 51 ILE HG13 3.400 . 4.600 4.627 4.474 4.760 0.160 23 0 "[ . 1 . 2 ]" 1
959 1 51 ILE H 1 51 ILE MG 2.300 . 2.800 2.055 1.923 2.280 . 0 0 "[ . 1 . 2 ]" 1
960 1 51 ILE HA 1 52 THR H 2.200 . 2.700 2.264 2.215 2.327 . 0 0 "[ . 1 . 2 ]" 1
961 1 51 ILE HG12 1 52 THR H 2.500 . 3.400 3.148 2.763 3.653 0.253 22 0 "[ . 1 . 2 ]" 1
962 1 51 ILE HG13 1 52 THR H 2.700 . 3.700 2.547 2.038 3.097 . 0 0 "[ . 1 . 2 ]" 1
963 1 52 THR H 1 52 THR HA 2.800 . 3.600 2.952 2.913 2.991 . 0 0 "[ . 1 . 2 ]" 1
964 1 52 THR H 1 52 THR HB 3.300 . 4.400 3.423 2.748 3.519 . 0 0 "[ . 1 . 2 ]" 1
965 1 52 THR H 1 52 THR MG 2.500 . 3.400 2.268 1.966 3.768 0.368 17 0 "[ . 1 . 2 ]" 1
966 1 52 THR HA 1 53 SER H 2.100 . 2.500 2.273 2.236 2.283 . 0 0 "[ . 1 . 2 ]" 1
967 1 52 THR HA 1 54 ASN H 2.800 . 3.600 3.768 3.718 3.793 0.193 20 0 "[ . 1 . 2 ]" 1
968 1 52 THR HB 1 53 SER H 2.900 . 3.700 3.808 3.718 3.842 0.142 14 0 "[ . 1 . 2 ]" 1
969 1 52 THR HB 1 54 ASN H 3.000 . 4.200 4.207 3.770 4.255 0.055 18 0 "[ . 1 . 2 ]" 1
970 1 52 THR MG 1 53 SER H 2.900 . 3.700 3.684 2.468 3.755 0.055 19 0 "[ . 1 . 2 ]" 1
971 1 52 THR MG 1 54 ASN H 2.800 . 3.600 3.536 2.450 3.629 0.029 5 0 "[ . 1 . 2 ]" 1
972 1 52 THR MG 1 57 VAL HB 3.000 . 3.500 2.691 1.920 3.136 . 0 0 "[ . 1 . 2 ]" 1
973 1 52 THR MG 1 57 VAL MG1 3.000 . 3.500 1.963 1.795 2.293 0.005 22 0 "[ . 1 . 2 ]" 1
974 1 53 SER H 1 53 SER HA 2.800 . 3.600 2.998 2.996 3.000 . 0 0 "[ . 1 . 2 ]" 1
975 1 53 SER H 1 53 SER HB2 2.900 . 4.000 3.317 2.324 3.746 . 0 0 "[ . 1 . 2 ]" 1
976 1 53 SER H 1 53 SER HB3 2.900 . 3.700 2.832 2.303 3.771 0.071 15 0 "[ . 1 . 2 ]" 1
977 1 53 SER H 1 54 ASN H 2.300 . 2.800 1.997 1.947 2.075 . 0 0 "[ . 1 . 2 ]" 1
978 1 53 SER H 1 54 ASN QB 2.800 . 3.900 3.605 3.453 3.937 0.037 20 0 "[ . 1 . 2 ]" 1
979 1 53 SER H 1 58 PHE QE 3.400 . 4.900 4.133 3.785 4.854 . 0 0 "[ . 1 . 2 ]" 1
980 1 53 SER HA 1 54 ASN H 3.100 . 4.100 3.314 3.213 3.357 . 0 0 "[ . 1 . 2 ]" 1
981 1 53 SER HA 1 58 PHE QE 4.000 . 5.500 2.264 1.929 4.058 . 0 0 "[ . 1 . 2 ]" 1
982 1 53 SER HB2 1 54 ASN H 3.200 . 4.500 4.273 3.453 4.519 0.019 10 0 "[ . 1 . 2 ]" 1
983 1 53 SER HB3 1 54 ASN H 3.300 . 4.700 3.989 3.516 4.508 . 0 0 "[ . 1 . 2 ]" 1
984 1 54 ASN H 1 54 ASN HA 2.700 . 3.400 2.859 2.815 3.002 . 0 0 "[ . 1 . 2 ]" 1
985 1 54 ASN H 1 54 ASN QB 2.200 . 2.700 2.136 1.925 2.492 . 0 0 "[ . 1 . 2 ]" 1
986 1 54 ASN H 1 58 PHE QE 3.200 . 4.500 3.581 3.240 3.882 . 0 0 "[ . 1 . 2 ]" 1
987 1 54 ASN HA 1 57 VAL MG2 4.000 . 5.500 4.674 4.358 5.312 . 0 0 "[ . 1 . 2 ]" 1
988 1 54 ASN QB 1 57 VAL HB 4.000 . 5.500 3.442 3.077 4.793 . 0 0 "[ . 1 . 2 ]" 1
989 1 54 ASN QB 1 57 VAL MG2 3.000 . 3.800 2.185 1.865 3.605 . 0 0 "[ . 1 . 2 ]" 1
990 1 54 ASN HD21 1 56 ASP H 3.800 . 5.500 3.650 2.156 4.766 . 0 0 "[ . 1 . 2 ]" 1
991 1 54 ASN HD21 1 56 ASP HB2 3.600 . 5.200 2.938 2.110 4.431 . 0 0 "[ . 1 . 2 ]" 1
992 1 54 ASN HD21 1 56 ASP HB3 3.700 . 5.400 2.747 2.001 4.162 . 0 0 "[ . 1 . 2 ]" 1
993 1 54 ASN HD21 1 57 VAL MG2 2.900 . 4.000 3.057 2.518 3.659 . 0 0 "[ . 1 . 2 ]" 1
994 1 54 ASN HD22 1 56 ASP H 3.700 . 5.400 3.511 2.431 5.076 . 0 0 "[ . 1 . 2 ]" 1
995 1 54 ASN HD22 1 56 ASP HB2 3.400 . 4.900 2.575 2.002 4.951 0.051 20 0 "[ . 1 . 2 ]" 1
996 1 54 ASN HD22 1 57 VAL H 3.500 . 5.000 4.191 3.585 4.540 . 0 0 "[ . 1 . 2 ]" 1
997 1 54 ASN HD22 1 57 VAL MG2 3.200 . 4.500 4.194 1.790 4.519 0.019 12 0 "[ . 1 . 2 ]" 1
998 1 55 SER H 1 56 ASP H 4.100 . 6.000 2.716 2.110 2.867 . 0 0 "[ . 1 . 2 ]" 1
999 1 55 SER HA 1 56 ASP H 2.900 . 3.700 3.531 3.470 3.556 . 0 0 "[ . 1 . 2 ]" 1
1000 1 55 SER HA 1 58 PHE H 2.500 . 3.100 3.019 2.897 3.113 0.013 1 0 "[ . 1 . 2 ]" 1
1001 1 55 SER HA 1 58 PHE HB2 4.000 . 5.000 2.197 1.946 2.577 . 0 0 "[ . 1 . 2 ]" 1
1002 1 55 SER HA 1 58 PHE HB3 4.000 . 5.000 3.757 3.427 4.222 . 0 0 "[ . 1 . 2 ]" 1
1003 1 55 SER HA 1 59 SER H 2.900 . 3.700 3.736 3.708 3.823 0.123 17 0 "[ . 1 . 2 ]" 1
1004 1 55 SER HB2 1 58 PHE H 2.800 . 3.900 3.444 3.402 3.489 . 0 0 "[ . 1 . 2 ]" 1
1005 1 55 SER HB3 1 57 VAL H 3.500 . 5.000 4.161 3.999 4.312 . 0 0 "[ . 1 . 2 ]" 1
1006 1 56 ASP H 1 56 ASP HA 2.700 . 3.400 2.826 2.815 2.847 . 0 0 "[ . 1 . 2 ]" 1
1007 1 56 ASP H 1 56 ASP HB2 2.600 . 3.300 2.081 1.950 2.385 . 0 0 "[ . 1 . 2 ]" 1
1008 1 56 ASP H 1 56 ASP HB3 2.800 . 3.600 2.953 2.501 3.491 . 0 0 "[ . 1 . 2 ]" 1
1009 1 56 ASP H 1 57 VAL H 2.500 . 3.100 2.766 2.676 2.840 . 0 0 "[ . 1 . 2 ]" 1
1010 1 56 ASP H 1 57 VAL MG2 3.100 . 4.400 4.045 3.815 4.202 . 0 0 "[ . 1 . 2 ]" 1
1011 1 56 ASP H 1 58 PHE H 3.000 . 4.200 4.015 3.897 4.156 . 0 0 "[ . 1 . 2 ]" 1
1012 1 56 ASP H 1 58 PHE QD 3.900 . 5.700 4.748 4.546 5.033 . 0 0 "[ . 1 . 2 ]" 1
1013 1 56 ASP H 1 59 SER H 3.700 . 5.400 4.828 4.578 4.948 . 0 0 "[ . 1 . 2 ]" 1
1014 1 56 ASP HA 1 57 VAL H 3.200 . 4.200 3.542 3.504 3.575 . 0 0 "[ . 1 . 2 ]" 1
1015 1 56 ASP HA 1 58 PHE H 3.200 . 4.200 4.230 4.172 4.284 0.084 17 0 "[ . 1 . 2 ]" 1
1016 1 56 ASP HA 1 59 SER H 3.000 . 3.900 3.802 3.493 3.916 0.016 18 0 "[ . 1 . 2 ]" 1
1017 1 56 ASP HA 1 59 SER QB 4.000 . 5.000 3.042 2.655 3.349 . 0 0 "[ . 1 . 2 ]" 1
1018 1 56 ASP HA 1 60 LYS H 3.400 . 4.600 4.431 4.073 4.609 0.009 5 0 "[ . 1 . 2 ]" 1
1019 1 56 ASP HB2 1 57 VAL H 3.000 . 3.900 3.475 2.842 3.868 . 0 0 "[ . 1 . 2 ]" 1
1020 1 57 VAL H 1 57 VAL HA 2.600 . 3.600 2.922 2.883 2.956 . 0 0 "[ . 1 . 2 ]" 1
1021 1 57 VAL H 1 57 VAL HB 2.500 . 3.100 2.423 2.376 2.467 . 0 0 "[ . 1 . 2 ]" 1
1022 1 57 VAL H 1 57 VAL MG1 2.700 . 3.700 3.704 3.692 3.720 0.020 15 0 "[ . 1 . 2 ]" 1
1023 1 57 VAL H 1 57 VAL MG2 2.200 . 3.000 2.109 1.939 2.305 . 0 0 "[ . 1 . 2 ]" 1
1024 1 57 VAL H 1 58 PHE QD 2.900 . 4.000 3.163 2.925 3.461 . 0 0 "[ . 1 . 2 ]" 1
1025 1 57 VAL HA 1 60 LYS H 3.000 . 3.900 3.687 3.432 3.865 . 0 0 "[ . 1 . 2 ]" 1
1026 1 57 VAL HA 1 60 LYS QB 3.000 . 3.500 2.553 2.220 2.832 . 0 0 "[ . 1 . 2 ]" 1
1027 1 57 VAL HA 1 60 LYS HD2 4.000 . 5.500 3.805 1.943 4.973 . 0 0 "[ . 1 . 2 ]" 1
1028 1 57 VAL HA 1 60 LYS HD3 4.000 . 5.500 4.032 2.235 5.524 0.024 22 0 "[ . 1 . 2 ]" 1
1029 1 57 VAL HA 1 60 LYS HG3 4.000 . 5.500 4.364 3.180 5.503 0.003 19 0 "[ . 1 . 2 ]" 1
1030 1 57 VAL HA 1 61 TYR H 3.600 . 5.200 4.608 4.070 5.015 . 0 0 "[ . 1 . 2 ]" 1
1031 1 57 VAL HB 1 58 PHE H 2.600 . 3.300 2.836 2.690 2.941 . 0 0 "[ . 1 . 2 ]" 1
1032 1 57 VAL MG1 1 61 TYR H 3.200 . 4.500 3.839 3.038 4.214 . 0 0 "[ . 1 . 2 ]" 1
1033 1 57 VAL MG1 1 61 TYR H 4.000 . 5.500 4.484 3.890 4.958 . 0 0 "[ . 1 . 2 ]" 1
1034 1 57 VAL MG1 1 61 TYR QD 4.000 . 5.500 3.135 2.203 3.688 . 0 0 "[ . 1 . 2 ]" 1
1035 1 57 VAL MG2 1 58 PHE H 3.000 . 3.900 3.830 3.756 3.883 . 0 0 "[ . 1 . 2 ]" 1
1036 1 57 VAL MG2 1 60 LYS H 3.900 . 5.700 5.318 5.125 5.432 . 0 0 "[ . 1 . 2 ]" 1
1037 1 58 PHE H 1 58 PHE HA 2.500 . 3.100 2.922 2.888 2.950 . 0 0 "[ . 1 . 2 ]" 1
1038 1 58 PHE H 1 58 PHE HB2 2.500 . 3.100 2.173 2.072 2.246 . 0 0 "[ . 1 . 2 ]" 1
1039 1 58 PHE H 1 58 PHE QD 2.100 . 2.500 1.907 1.892 1.937 . 0 0 "[ . 1 . 2 ]" 1
1040 1 58 PHE H 1 58 PHE QE 2.900 . 3.700 4.286 4.221 4.329 0.629 17 24 [****************+****-**] 1
1041 1 58 PHE H 1 59 SER H 2.700 . 3.400 2.575 2.366 2.805 . 0 0 "[ . 1 . 2 ]" 1
1042 1 58 PHE H 1 59 SER QB 3.200 . 4.500 4.176 4.064 4.363 . 0 0 "[ . 1 . 2 ]" 1
1043 1 58 PHE H 1 60 LYS H 3.800 . 5.500 3.697 3.588 3.922 . 0 0 "[ . 1 . 2 ]" 1
1044 1 58 PHE HA 1 59 SER H 2.500 . 3.100 2.751 2.707 2.782 . 0 0 "[ . 1 . 2 ]" 1
1045 1 58 PHE HA 1 60 LYS H 2.900 . 4.000 3.249 3.122 3.406 . 0 0 "[ . 1 . 2 ]" 1
1046 1 58 PHE HA 1 61 TYR H 2.900 . 4.000 3.642 3.422 3.887 . 0 0 "[ . 1 . 2 ]" 1
1047 1 58 PHE HA 1 62 GLN H 2.800 . 3.600 3.361 3.099 3.600 . 0 0 "[ . 1 . 2 ]" 1
1048 1 58 PHE HA 1 63 LEU H 2.800 . 3.600 3.274 2.751 3.503 . 0 0 "[ . 1 . 2 ]" 1
1049 1 58 PHE HA 1 63 LEU HB2 4.000 . 5.000 3.005 2.060 3.456 . 0 0 "[ . 1 . 2 ]" 1
1050 1 58 PHE HA 1 63 LEU HB3 4.000 . 5.000 4.527 3.198 5.012 0.012 21 0 "[ . 1 . 2 ]" 1
1051 1 58 PHE HA 1 63 LEU QD 4.000 . 5.500 2.568 1.998 3.119 . 0 0 "[ . 1 . 2 ]" 1
1052 1 58 PHE HB2 1 59 SER H 2.700 . 3.400 2.393 2.213 2.576 . 0 0 "[ . 1 . 2 ]" 1
1053 1 58 PHE HB3 1 59 SER H 2.600 . 3.600 3.190 2.865 3.521 . 0 0 "[ . 1 . 2 ]" 1
1054 1 58 PHE HB3 1 63 LEU H 3.600 . 5.200 3.826 3.307 4.231 . 0 0 "[ . 1 . 2 ]" 1
1055 1 58 PHE HB3 1 63 LEU HB2 4.000 . 5.000 3.368 2.698 3.992 . 0 0 "[ . 1 . 2 ]" 1
1056 1 58 PHE QD 1 59 SER H 3.100 . 4.100 4.101 3.983 4.153 0.053 17 0 "[ . 1 . 2 ]" 1
1057 1 58 PHE QD 1 63 LEU HB2 4.000 . 5.000 3.232 2.591 4.040 . 0 0 "[ . 1 . 2 ]" 1
1058 1 58 PHE QD 1 63 LEU HB3 4.000 . 5.000 4.006 3.210 4.598 . 0 0 "[ . 1 . 2 ]" 1
1059 1 58 PHE QD 1 65 LYS H 3.500 . 5.000 4.590 3.309 5.012 0.012 2 0 "[ . 1 . 2 ]" 1
1060 1 58 PHE QE 1 63 LEU QD 4.000 . 5.500 4.014 3.797 4.305 . 0 0 "[ . 1 . 2 ]" 1
1061 1 58 PHE QE 1 65 LYS H 4.300 . 6.000 5.385 4.686 5.975 . 0 0 "[ . 1 . 2 ]" 1
1062 1 59 SER H 1 59 SER QB 2.400 . 3.000 2.090 1.927 2.333 . 0 0 "[ . 1 . 2 ]" 1
1063 1 59 SER H 1 60 LYS H 2.700 . 3.400 2.690 2.588 2.861 . 0 0 "[ . 1 . 2 ]" 1
1064 1 59 SER H 1 61 TYR H 2.900 . 4.000 3.992 3.781 4.054 0.054 10 0 "[ . 1 . 2 ]" 1
1065 1 59 SER HA 1 62 GLN HA 4.000 . 5.500 3.264 2.959 3.579 . 0 0 "[ . 1 . 2 ]" 1
1066 1 59 SER QB 1 60 LYS H 2.800 . 3.600 3.001 2.659 3.277 . 0 0 "[ . 1 . 2 ]" 1
1067 1 59 SER QB 1 62 GLN H 3.600 . 5.200 4.834 4.502 5.146 . 0 0 "[ . 1 . 2 ]" 1
1068 1 60 LYS H 1 60 LYS HA 2.700 . 3.400 2.885 2.780 2.954 . 0 0 "[ . 1 . 2 ]" 1
1069 1 60 LYS H 1 60 LYS HB2 2.600 . 3.300 2.145 1.941 2.738 . 0 0 "[ . 1 . 2 ]" 1
1070 1 60 LYS H 1 60 LYS QB 2.500 . 3.400 2.010 1.919 2.156 . 0 0 "[ . 1 . 2 ]" 1
1071 1 60 LYS H 1 60 LYS HB3 2.500 . 3.100 2.906 2.222 3.331 0.231 7 0 "[ . 1 . 2 ]" 1
1072 1 60 LYS H 1 60 LYS HD2 3.500 . 5.000 4.695 2.715 5.248 0.248 16 0 "[ . 1 . 2 ]" 1
1073 1 60 LYS H 1 60 LYS HD3 3.500 . 5.000 4.831 3.233 5.247 0.247 24 0 "[ . 1 . 2 ]" 1
1074 1 60 LYS H 1 60 LYS HG2 3.000 . 4.200 4.198 3.517 4.473 0.273 23 0 "[ . 1 . 2 ]" 1
1075 1 60 LYS H 1 60 LYS HG3 3.200 . 4.500 3.942 3.246 4.452 . 0 0 "[ . 1 . 2 ]" 1
1076 1 60 LYS H 1 61 TYR H 2.700 . 3.400 2.710 2.340 3.063 . 0 0 "[ . 1 . 2 ]" 1
1077 1 60 LYS H 1 61 TYR HB2 3.700 . 5.400 4.628 4.184 5.021 . 0 0 "[ . 1 . 2 ]" 1
1078 1 60 LYS H 1 61 TYR QD 3.600 . 5.200 4.034 3.553 4.718 . 0 0 "[ . 1 . 2 ]" 1
1079 1 60 LYS HA 1 61 TYR H 2.700 . 3.700 3.586 3.551 3.601 . 0 0 "[ . 1 . 2 ]" 1
1080 1 60 LYS QB 1 61 TYR H 3.000 . 4.200 2.313 2.059 2.517 . 0 0 "[ . 1 . 2 ]" 1
1081 1 60 LYS HB2 1 61 TYR H 3.000 . 4.200 3.197 2.568 3.881 . 0 0 "[ . 1 . 2 ]" 1
1082 1 60 LYS HD2 1 61 TYR H 3.700 . 5.400 5.005 4.194 5.438 0.038 15 0 "[ . 1 . 2 ]" 1
1083 1 60 LYS HD3 1 61 TYR H 3.900 . 5.700 4.693 4.053 5.897 0.197 12 0 "[ . 1 . 2 ]" 1
1084 1 60 LYS HG3 1 61 TYR H 3.300 . 4.700 4.689 3.929 5.002 0.302 10 0 "[ . 1 . 2 ]" 1
1085 1 61 TYR H 1 61 TYR HA 2.500 . 3.400 2.952 2.947 2.965 . 0 0 "[ . 1 . 2 ]" 1
1086 1 61 TYR H 1 61 TYR HB2 2.500 . 3.400 2.226 2.158 2.329 . 0 0 "[ . 1 . 2 ]" 1
1087 1 61 TYR H 1 61 TYR HB3 2.700 . 3.400 3.511 3.479 3.534 0.134 7 0 "[ . 1 . 2 ]" 1
1088 1 61 TYR H 1 61 TYR QD 2.500 . 3.400 2.232 1.973 2.700 . 0 0 "[ . 1 . 2 ]" 1
1089 1 61 TYR H 1 61 TYR QE 3.300 . 4.400 4.370 4.141 4.438 0.038 5 0 "[ . 1 . 2 ]" 1
1090 1 61 TYR H 1 62 GLN H 2.500 . 3.100 2.618 2.362 2.878 . 0 0 "[ . 1 . 2 ]" 1
1091 1 61 TYR H 1 63 LEU H 3.300 . 4.700 4.295 3.980 4.488 . 0 0 "[ . 1 . 2 ]" 1
1092 1 61 TYR H 1 63 LEU HB2 3.700 . 5.400 3.857 3.396 4.611 . 0 0 "[ . 1 . 2 ]" 1
1093 1 61 TYR H 1 63 LEU QD 3.500 . 5.000 3.531 3.088 4.085 . 0 0 "[ . 1 . 2 ]" 1
1094 1 61 TYR HA 1 62 GLN H 2.900 . 3.700 3.231 2.987 3.386 . 0 0 "[ . 1 . 2 ]" 1
1095 1 61 TYR HA 1 62 GLN HA 4.000 . 5.500 5.175 5.040 5.267 . 0 0 "[ . 1 . 2 ]" 1
1096 1 61 TYR HA 1 63 LEU H 4.000 . 5.900 4.617 4.269 4.800 . 0 0 "[ . 1 . 2 ]" 1
1097 1 61 TYR HB2 1 62 GLN H 2.800 . 3.900 2.916 2.780 3.498 . 0 0 "[ . 1 . 2 ]" 1
1098 1 61 TYR HB2 1 63 LEU QD 4.000 . 5.500 2.144 1.799 2.606 0.001 8 0 "[ . 1 . 2 ]" 1
1099 1 61 TYR HB2 1 69 VAL MG2 4.000 . 5.500 5.572 5.178 6.275 0.775 15 3 "[ - 1 + 2 * ]" 1
1100 1 61 TYR HB3 1 63 LEU QD 4.000 . 5.500 2.547 1.976 3.137 . 0 0 "[ . 1 . 2 ]" 1
1101 1 61 TYR QD 1 62 GLN H 3.500 . 5.000 4.167 2.297 4.572 . 0 0 "[ . 1 . 2 ]" 1
1102 1 61 TYR QD 1 63 LEU H 4.200 . 6.000 5.698 5.354 5.890 . 0 0 "[ . 1 . 2 ]" 1
1103 1 62 GLN H 1 62 GLN HA 2.200 . 2.700 2.358 2.345 2.385 . 0 0 "[ . 1 . 2 ]" 1
1104 1 62 GLN H 1 62 GLN HB2 2.900 . 3.700 2.863 2.457 3.288 . 0 0 "[ . 1 . 2 ]" 1
1105 1 62 GLN H 1 62 GLN HB3 2.600 . 3.300 3.181 2.498 3.394 0.094 2 0 "[ . 1 . 2 ]" 1
1106 1 62 GLN H 1 63 LEU H 2.700 . 3.400 3.123 2.981 3.405 0.005 18 0 "[ . 1 . 2 ]" 1
1107 1 62 GLN H 1 63 LEU HB2 3.800 . 5.500 3.846 3.519 4.422 . 0 0 "[ . 1 . 2 ]" 1
1108 1 62 GLN H 1 63 LEU QD 4.400 . 5.700 4.105 3.386 4.517 . 0 0 "[ . 1 . 2 ]" 1
1109 1 62 GLN HA 1 63 LEU H 2.600 . 3.300 2.602 2.530 2.686 . 0 0 "[ . 1 . 2 ]" 1
1110 1 62 GLN HB2 1 63 LEU H 3.300 . 4.700 4.613 4.418 4.690 . 0 0 "[ . 1 . 2 ]" 1
1111 1 62 GLN QG 1 63 LEU H 3.200 . 4.500 4.131 3.885 4.399 . 0 0 "[ . 1 . 2 ]" 1
1112 1 63 LEU H 1 63 LEU HA 2.900 . 3.700 2.990 2.960 3.005 . 0 0 "[ . 1 . 2 ]" 1
1113 1 63 LEU H 1 63 LEU HB2 2.900 . 3.700 2.412 2.210 2.713 . 0 0 "[ . 1 . 2 ]" 1
1114 1 63 LEU H 1 63 LEU HB2 2.500 . 3.400 2.202 2.069 2.361 . 0 0 "[ . 1 . 2 ]" 1
1115 1 63 LEU H 1 63 LEU HB3 2.900 . 4.000 3.630 3.528 3.737 . 0 0 "[ . 1 . 2 ]" 1
1116 1 63 LEU H 1 63 LEU QD 3.300 . 4.400 3.115 2.779 3.326 . 0 0 "[ . 1 . 2 ]" 1
1117 1 63 LEU H 1 64 ASP H 3.500 . 5.000 4.212 2.140 4.566 . 0 0 "[ . 1 . 2 ]" 1
1118 1 63 LEU HA 1 64 ASP H 2.500 . 3.100 2.293 2.210 3.433 0.333 24 0 "[ . 1 . 2 ]" 1
1119 1 63 LEU HA 1 65 LYS H 2.800 . 3.900 2.795 2.750 2.849 . 0 0 "[ . 1 . 2 ]" 1
1120 1 63 LEU HB2 1 64 ASP H 3.200 . 4.500 4.039 2.756 4.245 . 0 0 "[ . 1 . 2 ]" 1
1121 1 63 LEU HB2 1 65 LYS H 3.300 . 4.700 3.808 2.617 4.306 . 0 0 "[ . 1 . 2 ]" 1
1122 1 63 LEU HB2 1 65 LYS H 2.900 . 3.700 3.907 2.626 4.428 0.728 20 8 "[** .* 1 * ** + - ]" 1
1123 1 63 LEU HB3 1 64 ASP H 3.300 . 4.700 3.737 3.321 4.114 . 0 0 "[ . 1 . 2 ]" 1
1124 1 63 LEU HB3 1 65 LYS H 3.100 . 4.400 2.931 2.446 3.383 . 0 0 "[ . 1 . 2 ]" 1
1125 1 63 LEU QD 1 64 ASP H 3.800 . 5.500 3.756 3.434 4.277 . 0 0 "[ . 1 . 2 ]" 1
1126 1 63 LEU QD 1 65 LYS H 3.800 . 5.200 3.853 3.387 4.261 . 0 0 "[ . 1 . 2 ]" 1
1127 1 63 LEU QD 1 67 GLY H 3.100 . 4.400 3.907 3.656 4.178 . 0 0 "[ . 1 . 2 ]" 1
1128 1 63 LEU QD 1 67 GLY QA 3.000 . 3.500 3.009 1.883 3.411 . 0 0 "[ . 1 . 2 ]" 1
1129 1 63 LEU QD 1 68 VAL H 3.900 . 5.700 4.952 4.113 5.299 . 0 0 "[ . 1 . 2 ]" 1
1130 1 63 LEU QD 1 69 VAL MG2 3.000 . 3.800 3.065 2.698 3.368 . 0 0 "[ . 1 . 2 ]" 1
1131 1 64 ASP H 1 64 ASP HB2 3.200 . 4.500 2.473 1.950 3.427 . 0 0 "[ . 1 . 2 ]" 1
1132 1 64 ASP H 1 64 ASP HB3 2.900 . 3.700 2.881 1.949 3.896 0.196 24 0 "[ . 1 . 2 ]" 1
1133 1 64 ASP H 1 65 LYS H 2.500 . 3.100 2.686 2.343 2.806 . 0 0 "[ . 1 . 2 ]" 1
1134 1 64 ASP H 1 65 LYS QG 3.500 . 5.000 4.273 3.314 4.965 . 0 0 "[ . 1 . 2 ]" 1
1135 1 64 ASP HA 1 65 LYS H 3.100 . 4.100 3.421 3.119 3.520 . 0 0 "[ . 1 . 2 ]" 1
1136 1 64 ASP HB2 1 65 LYS H 4.100 . 6.000 3.596 2.849 4.233 . 0 0 "[ . 1 . 2 ]" 1
1137 1 64 ASP HB3 1 65 LYS H 3.500 . 5.000 3.654 3.026 4.288 . 0 0 "[ . 1 . 2 ]" 1
1138 1 65 LYS H 1 65 LYS HA 2.900 . 3.700 2.935 2.859 2.995 . 0 0 "[ . 1 . 2 ]" 1
1139 1 65 LYS H 1 65 LYS QD 4.500 . 6.000 4.368 2.891 5.097 . 0 0 "[ . 1 . 2 ]" 1
1140 1 65 LYS H 1 65 LYS QG 2.900 . 3.700 2.744 1.985 3.626 . 0 0 "[ . 1 . 2 ]" 1
1141 1 65 LYS HA 1 66 ASP H 2.500 . 3.100 2.826 2.596 3.069 . 0 0 "[ . 1 . 2 ]" 1
1142 1 65 LYS HB2 1 66 ASP H 2.900 . 3.700 2.538 1.890 3.429 . 0 0 "[ . 1 . 2 ]" 1
1143 1 65 LYS HB3 1 66 ASP H 2.600 . 3.300 2.870 1.904 3.731 0.431 12 0 "[ . 1 . 2 ]" 1
1144 1 65 LYS QD 1 66 ASP H 3.800 . 5.500 3.693 2.411 4.515 . 0 0 "[ . 1 . 2 ]" 1
1145 1 65 LYS HD2 1 67 GLY HA2 4.000 . 5.500 4.426 3.666 5.166 . 0 0 "[ . 1 . 2 ]" 1
1146 1 65 LYS QG 1 66 ASP H 3.800 . 5.200 3.144 2.094 4.009 . 0 0 "[ . 1 . 2 ]" 1
1147 1 66 ASP H 1 66 ASP HA 2.900 . 3.700 2.884 2.816 2.958 . 0 0 "[ . 1 . 2 ]" 1
1148 1 66 ASP H 1 66 ASP HB2 3.000 . 3.900 3.411 2.434 3.582 . 0 0 "[ . 1 . 2 ]" 1
1149 1 66 ASP H 1 66 ASP HB3 2.800 . 3.600 2.655 2.413 3.590 . 0 0 "[ . 1 . 2 ]" 1
1150 1 66 ASP HA 1 67 GLY H 2.200 . 2.700 2.399 2.304 2.667 . 0 0 "[ . 1 . 2 ]" 1
1151 1 66 ASP HB2 1 67 GLY H 2.700 . 3.400 2.877 2.043 3.932 0.532 8 2 "[ . + - . 2 ]" 1
1152 1 66 ASP HB3 1 67 GLY H 3.000 . 3.900 3.763 2.942 3.959 0.059 5 0 "[ . 1 . 2 ]" 1
1153 1 66 ASP HB3 1 67 GLY QA 4.000 . 5.500 4.558 4.103 5.009 . 0 0 "[ . 1 . 2 ]" 1
1154 1 67 GLY H 1 67 GLY QA 2.400 . 3.000 2.527 2.501 2.538 . 0 0 "[ . 1 . 2 ]" 1
1155 1 67 GLY H 1 68 VAL QG 3.500 . 5.000 3.745 3.521 4.072 . 0 0 "[ . 1 . 2 ]" 1
1156 1 67 GLY QA 1 68 VAL QG 4.000 . 5.500 3.120 2.586 3.518 . 0 0 "[ . 1 . 2 ]" 1
1157 1 67 GLY QA 1 68 VAL H 2.200 . 2.700 2.225 2.154 2.329 . 0 0 "[ . 1 . 2 ]" 1
1158 1 68 VAL H 1 68 VAL HA 3.000 . 3.900 2.994 2.965 3.003 . 0 0 "[ . 1 . 2 ]" 1
1159 1 68 VAL H 1 68 VAL HB 2.700 . 3.700 2.445 2.059 2.925 . 0 0 "[ . 1 . 2 ]" 1
1160 1 68 VAL H 1 68 VAL QG 2.600 . 3.600 2.406 1.802 2.830 . 0 0 "[ . 1 . 2 ]" 1
1161 1 68 VAL H 1 69 VAL H 3.300 . 4.700 4.112 3.645 4.521 . 0 0 "[ . 1 . 2 ]" 1
1162 1 68 VAL H 1 69 VAL MG2 3.400 . 4.900 3.575 3.224 4.025 . 0 0 "[ . 1 . 2 ]" 1
1163 1 68 VAL H 1 81 PHE HA 4.000 . 5.900 5.684 5.086 5.914 0.014 22 0 "[ . 1 . 2 ]" 1
1164 1 68 VAL H 1 81 PHE HB2 3.100 . 4.100 4.222 3.679 4.886 0.786 23 1 "[ . 1 . 2 + ]" 1
1165 1 68 VAL H 1 81 PHE QD 3.400 . 4.900 3.914 3.203 4.821 . 0 0 "[ . 1 . 2 ]" 1
1166 1 68 VAL H 1 85 VAL QG 3.800 . 5.500 4.093 3.041 4.894 . 0 0 "[ . 1 . 2 ]" 1
1167 1 68 VAL H 1 90 LEU MD2 4.200 . 6.000 5.481 4.963 5.987 . 0 0 "[ . 1 . 2 ]" 1
1168 1 68 VAL HA 1 69 VAL H 2.200 . 3.000 2.273 2.187 2.420 . 0 0 "[ . 1 . 2 ]" 1
1169 1 68 VAL HB 1 81 PHE HB2 4.000 . 5.000 3.440 2.528 4.721 . 0 0 "[ . 1 . 2 ]" 1
1170 1 68 VAL HB 1 90 LEU MD2 4.000 . 5.000 3.500 2.896 3.941 . 0 0 "[ . 1 . 2 ]" 1
1171 1 68 VAL QG 1 81 PHE H 3.000 . 4.200 3.827 3.351 4.090 . 0 0 "[ . 1 . 2 ]" 1
1172 1 68 VAL QG 1 82 GLU H 4.200 . 6.000 5.123 4.542 5.786 . 0 0 "[ . 1 . 2 ]" 1
1173 1 68 VAL QG 1 90 LEU HA 4.000 . 5.500 4.022 3.629 4.510 . 0 0 "[ . 1 . 2 ]" 1
1174 1 68 VAL QG 1 90 LEU MD2 3.000 . 3.500 2.052 1.793 2.631 0.007 21 0 "[ . 1 . 2 ]" 1
1175 1 69 VAL H 1 69 VAL HA 3.000 . 3.900 2.997 2.983 3.005 . 0 0 "[ . 1 . 2 ]" 1
1176 1 69 VAL H 1 69 VAL HB 2.600 . 3.300 2.466 2.323 2.645 . 0 0 "[ . 1 . 2 ]" 1
1177 1 69 VAL H 1 69 VAL MG1 3.000 . 3.900 3.783 3.723 3.848 . 0 0 "[ . 1 . 2 ]" 1
1178 1 69 VAL H 1 69 VAL MG2 2.900 . 3.700 2.718 2.372 3.047 . 0 0 "[ . 1 . 2 ]" 1
1179 1 69 VAL H 1 70 LEU H 3.500 . 5.000 4.536 4.409 4.600 . 0 0 "[ . 1 . 2 ]" 1
1180 1 69 VAL HA 1 70 LEU H 2.100 . 2.500 2.362 2.283 2.461 . 0 0 "[ . 1 . 2 ]" 1
1181 1 69 VAL HA 1 79 ASN H 3.500 . 5.000 4.070 3.389 4.553 . 0 0 "[ . 1 . 2 ]" 1
1182 1 69 VAL HA 1 80 ASN HA 3.000 . 3.500 3.421 3.025 3.562 0.062 1 0 "[ . 1 . 2 ]" 1
1183 1 69 VAL HA 1 81 PHE H 2.900 . 3.700 2.834 2.644 2.963 . 0 0 "[ . 1 . 2 ]" 1
1184 1 69 VAL HB 1 70 LEU H 3.200 . 4.500 3.934 3.760 4.102 . 0 0 "[ . 1 . 2 ]" 1
1185 1 69 VAL HB 1 71 PHE QD 4.000 . 5.000 4.300 3.912 4.758 . 0 0 "[ . 1 . 2 ]" 1
1186 1 69 VAL HB 1 80 ASN HA 4.000 . 5.000 4.811 4.415 5.021 0.021 24 0 "[ . 1 . 2 ]" 1
1187 1 69 VAL MG1 1 70 LEU H 2.400 . 3.000 2.064 1.912 2.426 . 0 0 "[ . 1 . 2 ]" 1
1188 1 69 VAL MG1 1 71 PHE QD 4.000 . 5.500 3.347 2.981 3.551 . 0 0 "[ . 1 . 2 ]" 1
1189 1 69 VAL MG1 1 78 ARG H 4.200 . 6.000 5.233 4.782 5.525 . 0 0 "[ . 1 . 2 ]" 1
1190 1 69 VAL MG1 1 78 ARG H 4.000 . 5.500 4.849 4.617 5.116 . 0 0 "[ . 1 . 2 ]" 1
1191 1 69 VAL MG1 1 78 ARG HA 4.000 . 5.000 3.164 2.723 3.571 . 0 0 "[ . 1 . 2 ]" 1
1192 1 69 VAL MG1 1 78 ARG HB2 4.000 . 5.000 4.126 2.341 4.736 . 0 0 "[ . 1 . 2 ]" 1
1193 1 69 VAL MG1 1 78 ARG HB3 4.000 . 5.000 2.928 2.130 4.061 . 0 0 "[ . 1 . 2 ]" 1
1194 1 69 VAL MG1 1 78 ARG QD 4.000 . 5.000 3.996 2.463 4.788 . 0 0 "[ . 1 . 2 ]" 1
1195 1 69 VAL MG1 1 78 ARG QG 3.000 . 3.500 2.681 1.934 3.527 0.027 13 0 "[ . 1 . 2 ]" 1
1196 1 69 VAL MG1 1 79 ASN H 2.800 . 3.600 1.878 1.792 2.139 0.008 16 0 "[ . 1 . 2 ]" 1
1197 1 69 VAL MG1 1 80 ASN HA 4.000 . 5.000 3.220 2.900 3.590 . 0 0 "[ . 1 . 2 ]" 1
1198 1 69 VAL MG1 1 81 PHE H 3.600 . 4.900 4.106 3.861 4.495 . 0 0 "[ . 1 . 2 ]" 1
1199 1 69 VAL MG2 1 70 LEU H 3.000 . 3.900 3.915 3.837 3.971 0.071 8 0 "[ . 1 . 2 ]" 1
1200 1 69 VAL MG2 1 80 ASN HA 3.000 . 3.500 2.036 1.786 2.337 0.014 6 0 "[ . 1 . 2 ]" 1
1201 1 69 VAL MG2 1 80 ASN QB 4.000 . 5.500 3.496 3.204 3.966 . 0 0 "[ . 1 . 2 ]" 1
1202 1 69 VAL MG2 1 81 PHE H 3.000 . 3.900 2.774 2.337 3.126 . 0 0 "[ . 1 . 2 ]" 1
1203 1 70 LEU H 1 70 LEU HA 2.400 . 3.300 2.969 2.958 2.975 . 0 0 "[ . 1 . 2 ]" 1
1204 1 70 LEU H 1 70 LEU HB2 2.500 . 3.100 2.803 2.679 2.920 . 0 0 "[ . 1 . 2 ]" 1
1205 1 70 LEU H 1 70 LEU HB3 2.400 . 3.300 2.487 2.392 2.568 . 0 0 "[ . 1 . 2 ]" 1
1206 1 70 LEU H 1 70 LEU QD 3.200 . 4.200 3.687 3.630 3.756 . 0 0 "[ . 1 . 2 ]" 1
1207 1 70 LEU H 1 71 PHE H 3.500 . 5.000 4.549 4.426 4.585 . 0 0 "[ . 1 . 2 ]" 1
1208 1 70 LEU H 1 79 ASN H 2.800 . 3.600 3.030 2.592 3.247 . 0 0 "[ . 1 . 2 ]" 1
1209 1 70 LEU H 1 79 ASN HB2 3.000 . 4.200 2.230 1.969 2.613 . 0 0 "[ . 1 . 2 ]" 1
1210 1 70 LEU H 1 79 ASN HB3 3.500 . 5.000 3.920 3.665 4.283 . 0 0 "[ . 1 . 2 ]" 1
1211 1 70 LEU H 1 79 ASN HD22 2.700 . 3.400 3.521 3.487 3.590 0.190 13 0 "[ . 1 . 2 ]" 1
1212 1 70 LEU H 1 80 ASN HA 4.000 . 5.000 4.980 4.823 5.060 0.060 16 0 "[ . 1 . 2 ]" 1
1213 1 70 LEU H 1 81 PHE H 3.300 . 4.700 4.701 4.604 4.749 0.049 22 0 "[ . 1 . 2 ]" 1
1214 1 70 LEU HA 1 71 PHE H 2.200 . 2.700 2.335 2.233 2.448 . 0 0 "[ . 1 . 2 ]" 1
1215 1 70 LEU HB2 1 71 PHE H 3.200 . 4.500 4.178 4.004 4.402 . 0 0 "[ . 1 . 2 ]" 1
1216 1 70 LEU HB2 1 71 PHE QD 4.000 . 5.500 5.399 5.128 5.599 0.099 23 0 "[ . 1 . 2 ]" 1
1217 1 70 LEU HB2 1 72 LYS H 4.000 . 5.900 5.251 4.643 5.578 . 0 0 "[ . 1 . 2 ]" 1
1218 1 70 LEU HB2 1 79 ASN HB2 4.000 . 5.000 3.934 3.788 4.011 . 0 0 "[ . 1 . 2 ]" 1
1219 1 70 LEU HB2 1 79 ASN HB3 4.000 . 5.000 5.006 4.739 5.081 0.081 13 0 "[ . 1 . 2 ]" 1
1220 1 70 LEU HB3 1 79 ASN HB2 4.000 . 5.000 3.221 3.063 3.361 . 0 0 "[ . 1 . 2 ]" 1
1221 1 70 LEU HB3 1 79 ASN HB3 4.000 . 5.000 4.139 3.965 4.270 . 0 0 "[ . 1 . 2 ]" 1
1222 1 70 LEU MD1 1 71 PHE QD 4.000 . 5.500 4.147 3.986 4.301 . 0 0 "[ . 1 . 2 ]" 1
1223 1 70 LEU MD1 1 93 PHE QD 4.000 . 5.500 3.227 2.604 3.666 . 0 0 "[ . 1 . 2 ]" 1
1224 1 70 LEU MD1 1 94 ILE H 3.200 . 4.500 4.099 3.610 4.516 0.016 24 0 "[ . 1 . 2 ]" 1
1225 1 70 LEU MD1 1 94 ILE HA 3.000 . 3.500 2.154 1.888 2.400 . 0 0 "[ . 1 . 2 ]" 1
1226 1 70 LEU MD1 1 95 LYS H 3.600 . 5.200 5.048 4.849 5.239 0.039 23 0 "[ . 1 . 2 ]" 1
1227 1 70 LEU MD1 1 97 ASN H 3.100 . 4.400 3.980 3.489 4.335 . 0 0 "[ . 1 . 2 ]" 1
1228 1 70 LEU MD1 1 97 ASN HA 4.000 . 5.500 4.710 4.247 5.267 . 0 0 "[ . 1 . 2 ]" 1
1229 1 70 LEU MD1 1 97 ASN HB2 4.000 . 5.000 2.292 1.910 2.705 . 0 0 "[ . 1 . 2 ]" 1
1230 1 70 LEU MD1 1 97 ASN HB3 4.000 . 5.000 2.883 2.113 3.536 . 0 0 "[ . 1 . 2 ]" 1
1231 1 70 LEU MD1 1 97 ASN HD21 3.200 . 4.500 3.123 2.468 4.309 . 0 0 "[ . 1 . 2 ]" 1
1232 1 70 LEU MD1 1 97 ASN HD22 2.900 . 4.000 3.964 3.664 4.057 0.057 3 0 "[ . 1 . 2 ]" 1
1233 1 70 LEU MD1 1 98 GLN H 3.700 . 5.400 3.452 2.890 3.970 . 0 0 "[ . 1 . 2 ]" 1
1234 1 70 LEU MD2 1 71 PHE H 2.500 . 3.100 2.702 2.133 3.126 0.026 8 0 "[ . 1 . 2 ]" 1
1235 1 70 LEU MD2 1 72 LYS QD . . 3.500 1.876 1.663 2.147 0.137 16 0 "[ . 1 . 2 ]" 1
1236 1 70 LEU MD2 1 72 LYS HE2 4.000 . 5.500 3.420 2.943 4.216 . 0 0 "[ . 1 . 2 ]" 1
1237 1 70 LEU MD2 1 79 ASN H 4.000 . 5.500 5.026 4.787 5.255 . 0 0 "[ . 1 . 2 ]" 1
1238 1 70 LEU MD2 1 79 ASN HB2 4.000 . 5.000 4.521 4.257 4.638 . 0 0 "[ . 1 . 2 ]" 1
1239 1 70 LEU MD2 1 79 ASN HB3 4.000 . 5.000 4.985 4.595 5.081 0.081 3 0 "[ . 1 . 2 ]" 1
1240 1 70 LEU MD2 1 97 ASN HB2 4.000 . 5.000 2.840 2.334 3.402 . 0 0 "[ . 1 . 2 ]" 1
1241 1 70 LEU MD2 1 97 ASN HB3 4.000 . 5.000 2.135 1.805 2.827 . 0 0 "[ . 1 . 2 ]" 1
1242 1 70 LEU MD2 1 98 GLN HA 4.000 . 5.000 4.024 3.361 4.548 . 0 0 "[ . 1 . 2 ]" 1
1243 1 70 LEU MD2 1 98 GLN HB2 4.000 . 5.500 5.093 4.618 5.521 0.021 10 0 "[ . 1 . 2 ]" 1
1244 1 70 LEU HG 1 71 PHE H 2.600 . 3.300 2.261 1.945 2.835 . 0 0 "[ . 1 . 2 ]" 1
1245 1 71 PHE H 1 71 PHE HA 2.900 . 3.700 2.989 2.968 2.993 . 0 0 "[ . 1 . 2 ]" 1
1246 1 71 PHE H 1 71 PHE HB2 2.700 . 3.400 2.302 2.192 2.379 . 0 0 "[ . 1 . 2 ]" 1
1247 1 71 PHE H 1 71 PHE HB3 2.700 . 3.400 3.567 3.512 3.614 0.214 10 0 "[ . 1 . 2 ]" 1
1248 1 71 PHE H 1 71 PHE QD 2.400 . 3.000 2.702 2.126 3.023 0.023 22 0 "[ . 1 . 2 ]" 1
1249 1 71 PHE H 1 72 LYS H 3.400 . 4.900 4.344 4.159 4.497 . 0 0 "[ . 1 . 2 ]" 1
1250 1 71 PHE H 1 72 LYS QD 3.100 . 4.400 4.116 3.832 4.269 . 0 0 "[ . 1 . 2 ]" 1
1251 1 71 PHE HA 1 71 PHE QE 4.000 . 5.500 4.479 4.431 4.521 . 0 0 "[ . 1 . 2 ]" 1
1252 1 71 PHE HA 1 72 LYS H 2.200 . 2.700 2.214 2.193 2.249 . 0 0 "[ . 1 . 2 ]" 1
1253 1 71 PHE HA 1 72 LYS HG3 4.000 . 5.500 5.560 5.400 5.749 0.249 11 0 "[ . 1 . 2 ]" 1
1254 1 71 PHE HA 1 78 ARG HA 3.000 . 3.500 2.965 2.552 3.225 . 0 0 "[ . 1 . 2 ]" 1
1255 1 71 PHE HA 1 78 ARG HB3 4.000 . 5.500 5.292 3.382 6.090 0.590 1 1 "[+ . 1 . 2 ]" 1
1256 1 71 PHE HA 1 78 ARG QG 4.000 . 5.500 3.302 2.901 5.067 . 0 0 "[ . 1 . 2 ]" 1
1257 1 71 PHE HA 1 79 ASN H 4.000 . 5.000 4.878 4.469 5.101 0.101 20 0 "[ . 1 . 2 ]" 1
1258 1 71 PHE HB2 1 71 PHE QD 3.000 . 3.800 2.448 2.399 2.556 . 0 0 "[ . 1 . 2 ]" 1
1259 1 71 PHE HB2 1 72 LYS H 3.000 . 4.200 3.914 3.420 4.202 0.002 9 0 "[ . 1 . 2 ]" 1
1260 1 71 PHE HB3 1 72 LYS H 2.800 . 3.900 3.568 3.229 3.881 . 0 0 "[ . 1 . 2 ]" 1
1261 1 71 PHE QD 1 72 LYS H 3.000 . 4.200 3.690 3.554 3.860 . 0 0 "[ . 1 . 2 ]" 1
1262 1 71 PHE QD 1 78 ARG HD3 4.000 . 5.500 4.496 3.760 5.463 . 0 0 "[ . 1 . 2 ]" 1
1263 1 71 PHE QD 1 79 ASN H 3.200 . 4.500 3.554 3.392 3.649 . 0 0 "[ . 1 . 2 ]" 1
1264 1 71 PHE QE 1 78 ARG QD 4.000 . 5.500 2.901 2.096 4.035 . 0 0 "[ . 1 . 2 ]" 1
1265 1 72 LYS H 1 72 LYS HA 2.900 . 3.700 2.994 2.969 3.004 . 0 0 "[ . 1 . 2 ]" 1
1266 1 72 LYS H 1 72 LYS HB2 3.200 . 4.500 3.779 3.722 3.863 . 0 0 "[ . 1 . 2 ]" 1
1267 1 72 LYS H 1 72 LYS HB2 3.200 . 4.200 2.429 1.939 2.923 . 0 0 "[ . 1 . 2 ]" 1
1268 1 72 LYS H 1 72 LYS HB3 3.000 . 4.200 2.373 1.929 2.804 . 0 0 "[ . 1 . 2 ]" 1
1269 1 72 LYS H 1 72 LYS HG2 2.900 . 4.000 2.063 1.922 2.403 . 0 0 "[ . 1 . 2 ]" 1
1270 1 72 LYS H 1 72 LYS HG3 2.700 . 3.700 3.647 3.558 3.808 0.108 21 0 "[ . 1 . 2 ]" 1
1271 1 72 LYS H 1 74 PHE H 3.900 . 5.700 5.320 5.179 5.522 . 0 0 "[ . 1 . 2 ]" 1
1272 1 72 LYS H 1 77 GLY H 3.400 . 4.900 4.735 4.404 4.903 0.003 23 0 "[ . 1 . 2 ]" 1
1273 1 72 LYS H 1 77 GLY HA2 3.000 . 3.900 3.023 2.676 3.509 . 0 0 "[ . 1 . 2 ]" 1
1274 1 72 LYS H 1 77 GLY HA3 3.300 . 4.700 4.187 3.905 4.593 . 0 0 "[ . 1 . 2 ]" 1
1275 1 72 LYS H 1 78 ARG H 4.100 . 6.000 4.932 4.573 5.226 . 0 0 "[ . 1 . 2 ]" 1
1276 1 72 LYS H 1 78 ARG HA 3.000 . 3.900 3.860 2.954 3.950 0.050 23 0 "[ . 1 . 2 ]" 1
1277 1 72 LYS H 1 78 ARG QG 3.800 . 5.200 4.408 4.008 5.248 0.048 13 0 "[ . 1 . 2 ]" 1
1278 1 72 LYS HA 1 72 LYS HG3 4.000 . 5.500 4.145 4.086 4.220 . 0 0 "[ . 1 . 2 ]" 1
1279 1 72 LYS HA 1 73 LYS H 2.300 . 2.800 2.463 2.326 2.689 . 0 0 "[ . 1 . 2 ]" 1
1280 1 72 LYS HA 1 74 PHE H 3.600 . 5.200 4.231 3.990 4.473 . 0 0 "[ . 1 . 2 ]" 1
1281 1 72 LYS HB2 1 73 LYS H 2.800 . 3.900 2.572 2.150 2.896 . 0 0 "[ . 1 . 2 ]" 1
1282 1 72 LYS HB2 1 74 PHE H 3.300 . 4.700 2.782 2.670 2.949 . 0 0 "[ . 1 . 2 ]" 1
1283 1 72 LYS HB3 1 74 PHE H 3.100 . 4.400 4.499 4.387 4.684 0.284 2 0 "[ . 1 . 2 ]" 1
1284 1 72 LYS QD 1 77 GLY H 3.700 . 5.400 3.781 2.916 4.375 . 0 0 "[ . 1 . 2 ]" 1
1285 1 72 LYS QD 1 77 GLY H 3.900 . 5.700 3.693 2.906 4.168 . 0 0 "[ . 1 . 2 ]" 1
1286 1 72 LYS HE2 1 77 GLY H 3.400 . 4.900 3.582 2.331 4.853 . 0 0 "[ . 1 . 2 ]" 1
1287 1 72 LYS HG2 1 74 PHE H 2.900 . 4.000 3.951 3.502 4.389 0.389 2 0 "[ . 1 . 2 ]" 1
1288 1 72 LYS HG2 1 77 GLY H 3.000 . 4.200 3.362 2.948 3.702 . 0 0 "[ . 1 . 2 ]" 1
1289 1 72 LYS HG3 1 73 LYS H 3.500 . 5.000 4.162 3.495 4.595 . 0 0 "[ . 1 . 2 ]" 1
1290 1 72 LYS HG3 1 74 PHE H 3.400 . 4.900 3.377 2.969 3.734 . 0 0 "[ . 1 . 2 ]" 1
1291 1 72 LYS HG3 1 77 GLY H 3.500 . 5.000 3.650 3.140 4.140 . 0 0 "[ . 1 . 2 ]" 1
1292 1 73 LYS H 1 73 LYS HA 2.700 . 3.400 2.943 2.914 2.985 . 0 0 "[ . 1 . 2 ]" 1
1293 1 73 LYS H 1 73 LYS HB2 2.700 . 3.400 2.072 1.977 2.229 . 0 0 "[ . 1 . 2 ]" 1
1294 1 73 LYS H 1 73 LYS HB3 2.500 . 3.100 3.413 3.342 3.503 0.403 10 0 "[ . 1 . 2 ]" 1
1295 1 73 LYS H 1 73 LYS HD2 3.100 . 4.400 4.488 3.315 5.196 0.796 15 5 "[ -. 1 ** + 2 * ]" 1
1296 1 73 LYS H 1 74 PHE H 2.900 . 3.700 2.291 2.059 2.398 . 0 0 "[ . 1 . 2 ]" 1
1297 1 73 LYS H 1 74 PHE QD 3.000 . 4.200 4.104 3.932 4.213 0.013 2 0 "[ . 1 . 2 ]" 1
1298 1 73 LYS HA 1 74 PHE H 2.700 . 3.400 3.487 3.465 3.517 0.117 2 0 "[ . 1 . 2 ]" 1
1299 1 73 LYS HB2 1 74 PHE H 3.500 . 4.700 2.952 2.767 3.063 . 0 0 "[ . 1 . 2 ]" 1
1300 1 73 LYS HB3 1 74 PHE H 3.400 . 4.600 3.535 3.258 3.824 . 0 0 "[ . 1 . 2 ]" 1
1301 1 73 LYS QD 1 74 PHE H 3.700 . 5.400 4.289 4.042 4.492 . 0 0 "[ . 1 . 2 ]" 1
1302 1 74 PHE H 1 74 PHE HA 2.700 . 3.400 2.965 2.962 2.971 . 0 0 "[ . 1 . 2 ]" 1
1303 1 74 PHE H 1 74 PHE HB2 3.300 . 4.400 3.591 3.573 3.601 . 0 0 "[ . 1 . 2 ]" 1
1304 1 74 PHE H 1 74 PHE HB3 3.200 . 4.200 3.009 2.922 3.176 . 0 0 "[ . 1 . 2 ]" 1
1305 1 74 PHE H 1 74 PHE QD 2.900 . 4.000 2.829 2.727 2.859 . 0 0 "[ . 1 . 2 ]" 1
1306 1 74 PHE HB2 1 75 ASP H 2.500 . 3.400 2.018 1.896 2.143 . 0 0 "[ . 1 . 2 ]" 1
1307 1 74 PHE HB3 1 75 ASP H 2.500 . 3.100 3.403 3.240 3.513 0.413 15 0 "[ . 1 . 2 ]" 1
1308 1 74 PHE QD 1 75 ASP H 2.900 . 4.000 3.245 3.128 3.410 . 0 0 "[ . 1 . 2 ]" 1
1309 1 74 PHE QD 1 77 GLY H 3.800 . 5.500 4.834 4.344 5.464 . 0 0 "[ . 1 . 2 ]" 1
1310 1 75 ASP H 1 75 ASP HA 2.200 . 2.700 2.374 2.367 2.383 . 0 0 "[ . 1 . 2 ]" 1
1311 1 75 ASP H 1 75 ASP HB2 3.200 . 4.200 3.571 3.451 3.996 . 0 0 "[ . 1 . 2 ]" 1
1312 1 75 ASP H 1 75 ASP HB3 3.200 . 4.200 3.938 3.493 4.007 . 0 0 "[ . 1 . 2 ]" 1
1313 1 75 ASP H 1 77 GLY H 4.000 . 5.900 5.647 5.145 5.913 0.013 21 0 "[ . 1 . 2 ]" 1
1314 1 75 ASP H 1 100 PRO HB3 3.700 . 5.400 4.925 3.991 5.946 0.546 15 1 "[ . 1 + 2 ]" 1
1315 1 75 ASP HA 1 76 GLU H 2.200 . 2.700 2.812 2.786 2.860 0.160 18 0 "[ . 1 . 2 ]" 1
1316 1 75 ASP HA 1 76 GLU H 2.000 . 2.700 2.514 2.497 2.564 . 0 0 "[ . 1 . 2 ]" 1
1317 1 75 ASP HB2 1 76 GLU H 2.000 . 2.400 2.642 1.933 2.809 0.409 16 0 "[ . 1 . 2 ]" 1
1318 1 75 ASP HB2 1 77 GLY H 3.600 . 5.200 3.044 2.507 3.873 . 0 0 "[ . 1 . 2 ]" 1
1319 1 75 ASP HB3 1 76 GLU H 2.000 . 2.700 2.021 1.897 2.763 0.063 5 0 "[ . 1 . 2 ]" 1
1320 1 75 ASP HB3 1 77 GLY H 3.400 . 4.900 3.704 3.216 4.113 . 0 0 "[ . 1 . 2 ]" 1
1321 1 76 GLU H 1 76 GLU HB2 2.400 . 3.000 2.077 1.944 2.387 . 0 0 "[ . 1 . 2 ]" 1
1322 1 76 GLU H 1 76 GLU HB3 2.400 . 3.300 2.921 2.494 3.288 . 0 0 "[ . 1 . 2 ]" 1
1323 1 76 GLU H 1 77 GLY H 2.300 . 3.100 2.848 2.561 3.026 . 0 0 "[ . 1 . 2 ]" 1
1324 1 76 GLU H 1 78 ARG H 4.300 . 6.000 4.804 4.373 5.406 . 0 0 "[ . 1 . 2 ]" 1
1325 1 76 GLU HB2 1 77 GLY H 3.300 . 4.400 3.405 2.950 3.758 . 0 0 "[ . 1 . 2 ]" 1
1326 1 76 GLU HB2 1 78 ARG H 3.000 . 4.200 4.186 3.543 4.980 0.780 7 3 "[ . +*-1 . 2 ]" 1
1327 1 76 GLU HB3 1 77 GLY H 3.500 . 4.700 2.522 2.158 3.281 . 0 0 "[ . 1 . 2 ]" 1
1328 1 76 GLU HB3 1 78 ARG H 3.600 . 5.200 2.552 2.233 3.304 . 0 0 "[ . 1 . 2 ]" 1
1329 1 76 GLU QG 1 78 ARG H 3.500 . 5.000 3.577 2.465 4.590 . 0 0 "[ . 1 . 2 ]" 1
1330 1 77 GLY H 1 77 GLY HA2 2.300 . 2.800 2.540 2.405 2.645 . 0 0 "[ . 1 . 2 ]" 1
1331 1 77 GLY H 1 77 GLY HA3 2.500 . 3.100 2.978 2.945 2.993 . 0 0 "[ . 1 . 2 ]" 1
1332 1 77 GLY H 1 78 ARG H 2.900 . 4.000 2.583 2.270 3.061 . 0 0 "[ . 1 . 2 ]" 1
1333 1 77 GLY HA2 1 78 ARG H 3.100 . 4.100 3.519 3.451 3.592 . 0 0 "[ . 1 . 2 ]" 1
1334 1 77 GLY HA3 1 78 ARG H 2.900 . 3.700 2.948 2.580 3.133 . 0 0 "[ . 1 . 2 ]" 1
1335 1 78 ARG H 1 78 ARG HA 2.900 . 3.700 2.994 2.975 3.003 . 0 0 "[ . 1 . 2 ]" 1
1336 1 78 ARG H 1 78 ARG HB2 2.900 . 3.700 2.520 2.216 3.852 0.152 13 0 "[ . 1 . 2 ]" 1
1337 1 78 ARG H 1 78 ARG HB3 3.000 . 4.200 3.534 3.045 3.730 . 0 0 "[ . 1 . 2 ]" 1
1338 1 78 ARG H 1 78 ARG QD 3.800 . 5.500 3.802 2.529 5.113 . 0 0 "[ . 1 . 2 ]" 1
1339 1 78 ARG H 1 78 ARG QG 3.100 . 4.100 3.545 2.075 4.096 . 0 0 "[ . 1 . 2 ]" 1
1340 1 78 ARG H 1 79 ASN H 3.300 . 4.700 4.472 4.336 4.546 . 0 0 "[ . 1 . 2 ]" 1
1341 1 78 ARG HA 1 79 ASN H 2.200 . 2.700 2.513 2.342 2.740 0.040 13 0 "[ . 1 . 2 ]" 1
1342 1 78 ARG HB2 1 79 ASN H 2.700 . 3.700 3.765 1.974 4.279 0.579 22 1 "[ . 1 . 2 + ]" 1
1343 1 78 ARG QD 1 79 ASN H 3.800 . 5.500 4.690 3.390 5.016 . 0 0 "[ . 1 . 2 ]" 1
1344 1 78 ARG QG 1 79 ASN H 2.900 . 3.700 3.285 2.461 3.726 0.026 23 0 "[ . 1 . 2 ]" 1
1345 1 79 ASN H 1 79 ASN HA 2.900 . 3.700 2.993 2.977 3.004 . 0 0 "[ . 1 . 2 ]" 1
1346 1 79 ASN H 1 79 ASN HB2 2.800 . 3.900 2.787 2.628 2.943 . 0 0 "[ . 1 . 2 ]" 1
1347 1 79 ASN H 1 79 ASN HB3 2.900 . 3.700 3.837 3.761 3.923 0.223 14 0 "[ . 1 . 2 ]" 1
1348 1 79 ASN H 1 79 ASN HD21 4.000 . 5.900 2.142 1.979 2.326 . 0 0 "[ . 1 . 2 ]" 1
1349 1 79 ASN HA 1 80 ASN H 2.100 . 2.500 2.504 2.325 2.605 0.105 24 0 "[ . 1 . 2 ]" 1
1350 1 79 ASN HB2 1 80 ASN H 2.800 . 3.600 2.500 2.364 2.832 . 0 0 "[ . 1 . 2 ]" 1
1351 1 79 ASN HB3 1 97 ASN HD21 3.400 . 4.900 4.620 3.754 4.917 0.017 2 0 "[ . 1 . 2 ]" 1
1352 1 80 ASN H 1 80 ASN QB 2.400 . 3.300 3.140 2.706 3.351 0.051 22 0 "[ . 1 . 2 ]" 1
1353 1 80 ASN H 1 80 ASN HD21 3.300 . 4.700 4.284 2.936 4.735 0.035 10 0 "[ . 1 . 2 ]" 1
1354 1 80 ASN H 1 80 ASN HD22 3.700 . 5.400 4.734 3.600 5.483 0.083 11 0 "[ . 1 . 2 ]" 1
1355 1 80 ASN H 1 81 PHE H 3.400 . 4.600 3.193 2.998 3.446 . 0 0 "[ . 1 . 2 ]" 1
1356 1 80 ASN HA 1 81 PHE H 2.100 . 2.500 2.395 2.291 2.462 . 0 0 "[ . 1 . 2 ]" 1
1357 1 80 ASN QB 1 81 PHE H 3.000 . 3.900 3.929 3.871 3.974 0.074 20 0 "[ . 1 . 2 ]" 1
1358 1 80 ASN HD21 1 81 PHE H 3.300 . 4.700 4.309 3.678 4.577 . 0 0 "[ . 1 . 2 ]" 1
1359 1 81 PHE H 1 81 PHE HA 2.700 . 3.400 2.834 2.776 2.958 . 0 0 "[ . 1 . 2 ]" 1
1360 1 81 PHE H 1 81 PHE HB2 2.500 . 3.100 2.391 2.273 2.735 . 0 0 "[ . 1 . 2 ]" 1
1361 1 81 PHE H 1 81 PHE HB3 2.400 . 3.000 2.487 2.274 2.609 . 0 0 "[ . 1 . 2 ]" 1
1362 1 81 PHE H 1 82 GLU H 3.600 . 4.900 4.571 4.479 4.679 . 0 0 "[ . 1 . 2 ]" 1
1363 1 81 PHE H 1 93 PHE QE 3.000 . 3.900 3.036 2.442 3.482 . 0 0 "[ . 1 . 2 ]" 1
1364 1 81 PHE HA 1 82 GLU H 2.300 . 2.800 2.220 2.197 2.271 . 0 0 "[ . 1 . 2 ]" 1
1365 1 81 PHE HB2 1 82 GLU H 3.300 . 4.400 4.370 4.200 4.478 0.078 5 0 "[ . 1 . 2 ]" 1
1366 1 81 PHE HB3 1 82 GLU H 3.300 . 4.400 4.257 4.019 4.401 0.001 3 0 "[ . 1 . 2 ]" 1
1367 1 81 PHE QD 1 82 GLU H 2.900 . 3.700 3.501 3.123 3.719 0.019 4 0 "[ . 1 . 2 ]" 1
1368 1 81 PHE QD 1 83 GLY H 4.100 . 6.000 3.448 2.268 5.616 . 0 0 "[ . 1 . 2 ]" 1
1369 1 81 PHE QD 1 85 VAL QG 4.000 . 5.500 3.090 2.098 4.317 . 0 0 "[ . 1 . 2 ]" 1
1370 1 81 PHE QD 1 90 LEU MD2 4.000 . 5.000 3.397 2.918 4.085 . 0 0 "[ . 1 . 2 ]" 1
1371 1 81 PHE QD 1 93 PHE H 3.400 . 4.900 4.795 4.398 4.924 0.024 8 0 "[ . 1 . 2 ]" 1
1372 1 81 PHE QE 1 82 GLU H 3.700 . 5.400 4.524 4.033 4.807 . 0 0 "[ . 1 . 2 ]" 1
1373 1 81 PHE QE 1 84 GLU H 4.000 . 5.900 3.826 2.681 5.196 . 0 0 "[ . 1 . 2 ]" 1
1374 1 81 PHE QE 1 85 VAL H 3.200 . 4.500 3.317 2.316 4.003 . 0 0 "[ . 1 . 2 ]" 1
1375 1 81 PHE QE 1 85 VAL QG 4.000 . 5.500 2.656 1.886 4.007 . 0 0 "[ . 1 . 2 ]" 1
1376 1 81 PHE QE 1 86 THR H 2.800 . 3.900 3.877 3.717 3.953 0.053 20 0 "[ . 1 . 2 ]" 1
1377 1 81 PHE QE 1 89 ASN HD21 3.300 . 4.700 4.118 3.645 4.607 . 0 0 "[ . 1 . 2 ]" 1
1378 1 81 PHE QE 1 89 ASN HD22 3.700 . 5.400 5.133 4.735 5.397 . 0 0 "[ . 1 . 2 ]" 1
1379 1 81 PHE QE 1 90 LEU MD2 4.000 . 5.500 3.215 2.501 4.229 . 0 0 "[ . 1 . 2 ]" 1
1380 1 81 PHE QE 1 93 PHE H 3.200 . 4.500 4.071 3.685 4.402 . 0 0 "[ . 1 . 2 ]" 1
1381 1 81 PHE HZ 1 84 GLU H 3.400 . 4.900 3.482 2.332 4.044 . 0 0 "[ . 1 . 2 ]" 1
1382 1 81 PHE HZ 1 85 VAL H 3.300 . 4.700 3.937 3.396 4.141 . 0 0 "[ . 1 . 2 ]" 1
1383 1 81 PHE HZ 1 85 VAL QG 4.000 . 5.500 2.944 2.611 3.316 . 0 0 "[ . 1 . 2 ]" 1
1384 1 81 PHE HZ 1 89 ASN H 2.700 . 3.700 3.409 3.184 3.529 . 0 0 "[ . 1 . 2 ]" 1
1385 1 81 PHE HZ 1 89 ASN HB2 4.000 . 5.500 2.088 1.884 2.262 . 0 0 "[ . 1 . 2 ]" 1
1386 1 81 PHE HZ 1 89 ASN HB3 4.000 . 5.500 2.031 1.923 2.495 . 0 0 "[ . 1 . 2 ]" 1
1387 1 81 PHE HZ 1 90 LEU H 3.000 . 4.200 3.198 2.784 3.874 . 0 0 "[ . 1 . 2 ]" 1
1388 1 81 PHE HZ 1 90 LEU MD1 4.000 . 5.500 3.532 3.109 4.194 . 0 0 "[ . 1 . 2 ]" 1
1389 1 81 PHE HZ 1 92 ASP H 4.200 . 6.000 5.888 5.292 6.029 0.029 10 0 "[ . 1 . 2 ]" 1
1390 1 81 PHE HZ 1 90 LEU MD2 4.000 . 5.500 4.096 3.432 4.869 . 0 0 "[ . 1 . 2 ]" 1
1391 1 82 GLU H 1 82 GLU HA 2.800 . 3.600 2.992 2.957 3.004 . 0 0 "[ . 1 . 2 ]" 1
1392 1 82 GLU H 1 82 GLU HB2 2.700 . 3.700 2.408 2.211 2.655 . 0 0 "[ . 1 . 2 ]" 1
1393 1 82 GLU H 1 82 GLU HB3 2.700 . 3.400 3.609 3.469 3.797 0.397 22 0 "[ . 1 . 2 ]" 1
1394 1 82 GLU H 1 82 GLU QG 3.200 . 4.200 3.301 2.680 3.873 . 0 0 "[ . 1 . 2 ]" 1
1395 1 82 GLU H 1 83 GLY H 3.100 . 4.100 3.882 2.472 4.216 0.116 16 0 "[ . 1 . 2 ]" 1
1396 1 82 GLU HA 1 83 GLY H 2.500 . 3.100 2.412 2.179 3.024 . 0 0 "[ . 1 . 2 ]" 1
1397 1 82 GLU HB2 1 83 GLY H 3.400 . 4.600 4.291 2.595 4.614 0.014 9 0 "[ . 1 . 2 ]" 1
1398 1 82 GLU HB3 1 83 GLY H 3.000 . 4.200 3.765 1.913 4.389 0.189 5 0 "[ . 1 . 2 ]" 1
1399 1 82 GLU QG 1 83 GLY H 3.500 . 5.000 4.238 3.828 4.991 . 0 0 "[ . 1 . 2 ]" 1
1400 1 83 GLY H 1 83 GLY HA2 2.700 . 3.700 2.700 2.344 2.991 . 0 0 "[ . 1 . 2 ]" 1
1401 1 83 GLY H 1 83 GLY HA3 2.600 . 3.600 2.879 2.481 2.991 . 0 0 "[ . 1 . 2 ]" 1
1402 1 83 GLY H 1 84 GLU H 3.400 . 4.900 4.373 3.735 4.685 . 0 0 "[ . 1 . 2 ]" 1
1403 1 83 GLY HA2 1 84 GLU H 2.600 . 3.300 2.887 2.558 3.282 . 0 0 "[ . 1 . 2 ]" 1
1404 1 83 GLY HA2 1 84 GLU HA 4.000 . 5.000 4.437 4.385 4.542 . 0 0 "[ . 1 . 2 ]" 1
1405 1 83 GLY HA2 1 84 GLU QB 4.000 . 5.000 4.488 4.252 4.930 . 0 0 "[ . 1 . 2 ]" 1
1406 1 83 GLY HA3 1 84 GLU H 2.700 . 3.400 2.396 2.192 2.659 . 0 0 "[ . 1 . 2 ]" 1
1407 1 83 GLY HA3 1 84 GLU HA 4.000 . 5.000 4.600 4.474 4.772 . 0 0 "[ . 1 . 2 ]" 1
1408 1 83 GLY HA3 1 84 GLU QB 4.000 . 5.000 4.258 4.007 4.500 . 0 0 "[ . 1 . 2 ]" 1
1409 1 84 GLU H 1 84 GLU HA 2.800 . 3.600 2.925 2.816 3.003 . 0 0 "[ . 1 . 2 ]" 1
1410 1 84 GLU H 1 84 GLU QB 2.400 . 3.000 2.137 1.938 2.466 . 0 0 "[ . 1 . 2 ]" 1
1411 1 84 GLU H 1 84 GLU QB 2.300 . 3.100 1.988 1.850 2.257 . 0 0 "[ . 1 . 2 ]" 1
1412 1 84 GLU H 1 84 GLU HG2 3.400 . 4.600 4.261 3.224 4.659 0.059 8 0 "[ . 1 . 2 ]" 1
1413 1 84 GLU H 1 84 GLU HG3 3.500 . 4.700 3.916 2.908 4.771 0.071 23 0 "[ . 1 . 2 ]" 1
1414 1 84 GLU H 1 85 VAL H 3.500 . 5.000 4.445 4.048 4.642 . 0 0 "[ . 1 . 2 ]" 1
1415 1 84 GLU H 1 89 ASN HD21 3.200 . 4.500 3.589 2.815 4.442 . 0 0 "[ . 1 . 2 ]" 1
1416 1 84 GLU H 1 89 ASN HD22 3.100 . 4.400 3.846 3.403 4.389 . 0 0 "[ . 1 . 2 ]" 1
1417 1 84 GLU HA 1 85 VAL H 2.200 . 2.700 2.235 2.211 2.381 . 0 0 "[ . 1 . 2 ]" 1
1418 1 84 GLU HA 1 89 ASN HD22 3.900 . 5.700 5.549 5.103 5.713 0.013 22 0 "[ . 1 . 2 ]" 1
1419 1 84 GLU QB 1 85 VAL H 3.100 . 4.100 3.644 2.743 3.930 . 0 0 "[ . 1 . 2 ]" 1
1420 1 84 GLU QB 1 86 THR H 3.600 . 5.200 4.541 3.028 5.031 . 0 0 "[ . 1 . 2 ]" 1
1421 1 84 GLU QB 1 89 ASN HD21 2.400 . 3.300 2.716 2.199 3.250 . 0 0 "[ . 1 . 2 ]" 1
1422 1 84 GLU QB 1 89 ASN HD22 3.000 . 3.500 2.971 2.431 3.407 . 0 0 "[ . 1 . 2 ]" 1
1423 1 84 GLU HG3 1 85 VAL H 3.300 . 4.700 4.096 2.916 4.891 0.191 19 0 "[ . 1 . 2 ]" 1
1424 1 85 VAL H 1 85 VAL HA 2.900 . 3.700 2.886 2.800 2.961 . 0 0 "[ . 1 . 2 ]" 1
1425 1 85 VAL H 1 85 VAL HB 2.500 . 3.100 2.397 2.277 3.460 0.360 23 0 "[ . 1 . 2 ]" 1
1426 1 85 VAL H 1 85 VAL QG 2.500 . 3.100 2.144 1.786 2.423 0.014 23 0 "[ . 1 . 2 ]" 1
1427 1 85 VAL H 1 86 THR H 3.300 . 4.700 4.340 3.578 4.506 . 0 0 "[ . 1 . 2 ]" 1
1428 1 85 VAL HA 1 86 THR H 2.200 . 2.700 2.258 2.204 2.643 . 0 0 "[ . 1 . 2 ]" 1
1429 1 85 VAL HA 1 89 ASN HD21 3.300 . 4.700 4.135 3.608 4.525 . 0 0 "[ . 1 . 2 ]" 1
1430 1 85 VAL HA 1 90 LEU MD2 4.000 . 5.500 3.216 2.779 3.610 . 0 0 "[ . 1 . 2 ]" 1
1431 1 85 VAL HB 1 86 THR H 3.500 . 4.700 4.478 4.406 4.644 . 0 0 "[ . 1 . 2 ]" 1
1432 1 85 VAL QG 1 86 THR H 3.100 . 3.700 3.068 2.768 3.512 . 0 0 "[ . 1 . 2 ]" 1
1433 1 85 VAL QG 1 87 LYS H 3.200 . 4.500 4.427 4.324 4.485 . 0 0 "[ . 1 . 2 ]" 1
1434 1 85 VAL QG 1 90 LEU MD2 4.000 . 5.500 2.446 1.978 3.441 . 0 0 "[ . 1 . 2 ]" 1
1435 1 86 THR H 1 86 THR HA 2.800 . 3.600 2.980 2.968 3.004 . 0 0 "[ . 1 . 2 ]" 1
1436 1 86 THR H 1 86 THR HB 3.400 . 4.900 3.812 3.524 3.897 . 0 0 "[ . 1 . 2 ]" 1
1437 1 86 THR H 1 86 THR MG 2.800 . 3.600 2.982 2.602 3.239 . 0 0 "[ . 1 . 2 ]" 1
1438 1 86 THR H 1 87 LYS H 3.300 . 4.700 4.437 4.377 4.623 . 0 0 "[ . 1 . 2 ]" 1
1439 1 86 THR H 1 89 ASN H 2.900 . 3.700 3.590 3.290 3.731 0.031 16 0 "[ . 1 . 2 ]" 1
1440 1 86 THR H 1 89 ASN HB2 3.000 . 3.900 2.139 1.942 2.388 . 0 0 "[ . 1 . 2 ]" 1
1441 1 86 THR H 1 89 ASN HB3 2.700 . 3.400 3.197 2.809 3.822 0.422 23 0 "[ . 1 . 2 ]" 1
1442 1 86 THR H 1 89 ASN HD21 3.200 . 4.500 3.264 2.601 3.597 . 0 0 "[ . 1 . 2 ]" 1
1443 1 86 THR H 1 90 LEU H 3.200 . 4.200 3.277 2.824 4.111 . 0 0 "[ . 1 . 2 ]" 1
1444 1 86 THR H 1 90 LEU MD1 3.500 . 5.000 3.580 3.123 4.275 . 0 0 "[ . 1 . 2 ]" 1
1445 1 86 THR H 1 90 LEU MD2 3.700 . 5.400 3.769 3.392 4.676 . 0 0 "[ . 1 . 2 ]" 1
1446 1 86 THR H 1 90 LEU HG 3.100 . 4.400 2.715 2.306 3.542 . 0 0 "[ . 1 . 2 ]" 1
1447 1 86 THR HA 1 87 LYS H 2.300 . 2.800 2.346 2.292 2.396 . 0 0 "[ . 1 . 2 ]" 1
1448 1 86 THR HA 1 88 GLU H 3.400 . 4.600 4.520 4.094 4.633 0.033 18 0 "[ . 1 . 2 ]" 1
1449 1 86 THR HA 1 88 GLU H 3.300 . 4.700 4.304 3.948 4.396 . 0 0 "[ . 1 . 2 ]" 1
1450 1 86 THR HB 1 87 LYS H 2.600 . 3.300 2.872 2.696 3.101 . 0 0 "[ . 1 . 2 ]" 1
1451 1 86 THR HB 1 88 GLU H 3.000 . 3.900 3.192 2.738 3.453 . 0 0 "[ . 1 . 2 ]" 1
1452 1 86 THR HB 1 89 ASN H 3.300 . 4.700 3.489 3.092 3.795 . 0 0 "[ . 1 . 2 ]" 1
1453 1 86 THR MG 1 87 LYS H 2.700 . 3.700 3.378 3.249 3.531 . 0 0 "[ . 1 . 2 ]" 1
1454 1 86 THR MG 1 88 GLU H 3.200 . 4.500 3.664 3.431 3.844 . 0 0 "[ . 1 . 2 ]" 1
1455 1 86 THR MG 1 89 ASN HD21 2.700 . 3.700 3.043 2.496 3.546 . 0 0 "[ . 1 . 2 ]" 1
1456 1 86 THR MG 1 89 ASN HD22 2.800 . 3.900 3.817 3.383 3.922 0.022 15 0 "[ . 1 . 2 ]" 1
1457 1 87 LYS H 1 87 LYS HA 2.700 . 3.400 2.786 2.767 2.805 . 0 0 "[ . 1 . 2 ]" 1
1458 1 87 LYS H 1 87 LYS HB2 2.400 . 3.000 2.095 1.985 2.346 . 0 0 "[ . 1 . 2 ]" 1
1459 1 87 LYS H 1 87 LYS HB3 2.400 . 3.000 2.818 2.458 3.003 0.003 19 0 "[ . 1 . 2 ]" 1
1460 1 87 LYS H 1 87 LYS QD 3.200 . 4.200 4.200 4.093 4.280 0.080 5 0 "[ . 1 . 2 ]" 1
1461 1 87 LYS H 1 87 LYS QG 2.900 . 3.700 3.746 3.605 3.890 0.190 16 0 "[ . 1 . 2 ]" 1
1462 1 87 LYS H 1 88 GLU H 2.500 . 3.400 2.977 2.853 3.061 . 0 0 "[ . 1 . 2 ]" 1
1463 1 87 LYS H 1 89 ASN H 3.600 . 5.200 4.236 4.029 4.358 . 0 0 "[ . 1 . 2 ]" 1
1464 1 87 LYS HA 1 88 GLU H 3.200 . 4.500 3.582 3.541 3.591 . 0 0 "[ . 1 . 2 ]" 1
1465 1 87 LYS HA 1 90 LEU H 3.200 . 4.200 3.543 3.235 3.918 . 0 0 "[ . 1 . 2 ]" 1
1466 1 87 LYS HA 1 90 LEU HB2 4.000 . 5.000 2.515 2.054 2.839 . 0 0 "[ . 1 . 2 ]" 1
1467 1 87 LYS HA 1 90 LEU HB3 4.000 . 5.000 4.031 3.447 4.389 . 0 0 "[ . 1 . 2 ]" 1
1468 1 87 LYS HB2 1 88 GLU H 2.800 . 3.900 3.465 3.299 3.855 . 0 0 "[ . 1 . 2 ]" 1
1469 1 87 LYS HB3 1 88 GLU H 2.700 . 3.400 2.302 2.115 2.703 . 0 0 "[ . 1 . 2 ]" 1
1470 1 87 LYS QD 1 88 GLU H 3.200 . 4.500 4.367 3.162 4.526 0.026 17 0 "[ . 1 . 2 ]" 1
1471 1 87 LYS HE2 1 89 ASN H 3.700 . 5.400 5.169 4.690 5.977 0.577 20 1 "[ . 1 . + ]" 1
1472 1 87 LYS HE2 1 91 LEU H 4.000 . 5.900 4.620 4.315 5.279 . 0 0 "[ . 1 . 2 ]" 1
1473 1 87 LYS HE2 1 91 LEU MD2 4.000 . 5.500 4.264 3.337 5.794 0.294 10 0 "[ . 1 . 2 ]" 1
1474 1 87 LYS HE3 1 91 LEU MD2 4.000 . 5.500 4.507 3.178 5.521 0.021 1 0 "[ . 1 . 2 ]" 1
1475 1 87 LYS QG 1 88 GLU H 3.100 . 4.100 3.832 3.512 4.089 . 0 0 "[ . 1 . 2 ]" 1
1476 1 87 LYS HG2 1 88 GLU HA 4.000 . 5.500 4.358 3.838 4.798 . 0 0 "[ . 1 . 2 ]" 1
1477 1 88 GLU H 1 88 GLU HA 2.600 . 3.300 2.838 2.811 2.925 . 0 0 "[ . 1 . 2 ]" 1
1478 1 88 GLU H 1 88 GLU QB 2.400 . 3.000 2.368 2.288 2.464 . 0 0 "[ . 1 . 2 ]" 1
1479 1 88 GLU H 1 88 GLU HG2 3.100 . 4.100 2.425 1.939 3.687 . 0 0 "[ . 1 . 2 ]" 1
1480 1 88 GLU H 1 88 GLU HG3 2.900 . 4.000 2.810 2.051 3.583 . 0 0 "[ . 1 . 2 ]" 1
1481 1 88 GLU H 1 89 ASN H 2.500 . 3.400 2.757 2.463 2.846 . 0 0 "[ . 1 . 2 ]" 1
1482 1 88 GLU H 1 90 LEU H 4.100 . 6.000 4.286 3.917 4.528 . 0 0 "[ . 1 . 2 ]" 1
1483 1 88 GLU H 1 91 LEU QD 3.700 . 5.400 3.977 3.507 4.347 . 0 0 "[ . 1 . 2 ]" 1
1484 1 88 GLU HA 1 89 ASN H 2.900 . 3.700 3.555 3.507 3.581 . 0 0 "[ . 1 . 2 ]" 1
1485 1 88 GLU HA 1 91 LEU H 3.500 . 5.000 3.370 3.261 3.438 . 0 0 "[ . 1 . 2 ]" 1
1486 1 88 GLU HA 1 91 LEU H 3.400 . 4.600 4.110 3.835 4.383 . 0 0 "[ . 1 . 2 ]" 1
1487 1 88 GLU HA 1 91 LEU HB2 4.000 . 5.000 3.233 2.815 3.472 . 0 0 "[ . 1 . 2 ]" 1
1488 1 88 GLU HA 1 91 LEU HB3 4.000 . 5.000 4.703 4.226 5.004 0.004 17 0 "[ . 1 . 2 ]" 1
1489 1 88 GLU HA 1 91 LEU MD2 4.000 . 5.500 5.038 3.871 5.494 . 0 0 "[ . 1 . 2 ]" 1
1490 1 88 GLU HA 1 92 ASP H 3.600 . 4.900 4.715 4.429 4.885 . 0 0 "[ . 1 . 2 ]" 1
1491 1 88 GLU QB 1 89 ASN H 2.400 . 3.300 2.853 2.445 3.341 0.041 1 0 "[ . 1 . 2 ]" 1
1492 1 88 GLU HG2 1 89 ASN H 3.200 . 4.500 3.790 1.957 5.200 0.700 20 2 "[ . 1 . - + ]" 1
1493 1 88 GLU HG3 1 89 ASN H 3.500 . 5.000 3.707 2.054 5.015 0.015 14 0 "[ . 1 . 2 ]" 1
1494 1 89 ASN H 1 89 ASN HA 2.400 . 3.000 2.917 2.876 2.953 . 0 0 "[ . 1 . 2 ]" 1
1495 1 89 ASN H 1 89 ASN HB2 2.700 . 3.400 2.111 2.002 2.345 . 0 0 "[ . 1 . 2 ]" 1
1496 1 89 ASN H 1 89 ASN HB3 2.600 . 3.300 3.441 3.344 3.514 0.214 23 0 "[ . 1 . 2 ]" 1
1497 1 89 ASN H 1 89 ASN HD22 3.900 . 5.700 4.603 4.137 4.864 . 0 0 "[ . 1 . 2 ]" 1
1498 1 89 ASN H 1 90 LEU H 2.500 . 3.100 2.529 2.329 2.696 . 0 0 "[ . 1 . 2 ]" 1
1499 1 89 ASN H 1 90 LEU MD2 3.700 . 5.400 5.356 5.085 5.424 0.024 14 0 "[ . 1 . 2 ]" 1
1500 1 89 ASN H 1 91 LEU H 3.400 . 4.900 4.281 3.838 4.607 . 0 0 "[ . 1 . 2 ]" 1
1501 1 89 ASN HA 1 89 ASN HD22 3.400 . 4.900 4.455 4.325 4.637 . 0 0 "[ . 1 . 2 ]" 1
1502 1 89 ASN HA 1 90 LEU H 2.900 . 3.700 3.569 3.501 3.590 . 0 0 "[ . 1 . 2 ]" 1
1503 1 89 ASN HA 1 92 ASP H 3.300 . 4.400 3.570 3.258 3.900 . 0 0 "[ . 1 . 2 ]" 1
1504 1 89 ASN HA 1 92 ASP HB2 3.000 . 3.500 3.144 2.630 3.499 . 0 0 "[ . 1 . 2 ]" 1
1505 1 89 ASN HA 1 92 ASP HB3 3.000 . 3.500 3.102 2.519 3.511 0.011 15 0 "[ . 1 . 2 ]" 1
1506 1 89 ASN HB2 1 89 ASN HD21 2.600 . 3.600 2.519 2.326 2.874 . 0 0 "[ . 1 . 2 ]" 1
1507 1 89 ASN HB2 1 89 ASN HD22 2.900 . 4.000 3.618 3.541 3.768 . 0 0 "[ . 1 . 2 ]" 1
1508 1 89 ASN HB2 1 90 LEU H 3.000 . 4.200 2.626 2.414 2.991 . 0 0 "[ . 1 . 2 ]" 1
1509 1 89 ASN HB3 1 89 ASN HD21 2.600 . 3.600 2.820 2.465 3.078 . 0 0 "[ . 1 . 2 ]" 1
1510 1 89 ASN HB3 1 89 ASN HD22 2.800 . 3.900 3.746 3.595 3.861 . 0 0 "[ . 1 . 2 ]" 1
1511 1 89 ASN HB3 1 90 LEU H 3.200 . 4.200 3.287 2.917 3.879 . 0 0 "[ . 1 . 2 ]" 1
1512 1 90 LEU H 1 90 LEU HA 2.900 . 3.700 2.837 2.803 2.899 . 0 0 "[ . 1 . 2 ]" 1
1513 1 90 LEU H 1 90 LEU HB2 2.600 . 3.300 2.297 2.069 2.412 . 0 0 "[ . 1 . 2 ]" 1
1514 1 90 LEU H 1 90 LEU HB3 2.900 . 3.700 3.495 3.423 3.530 . 0 0 "[ . 1 . 2 ]" 1
1515 1 90 LEU H 1 90 LEU MD1 3.200 . 4.200 3.376 3.003 3.629 . 0 0 "[ . 1 . 2 ]" 1
1516 1 90 LEU H 1 90 LEU MD2 2.900 . 4.000 3.421 3.201 3.743 . 0 0 "[ . 1 . 2 ]" 1
1517 1 90 LEU H 1 90 LEU HG 2.500 . 3.100 2.135 1.944 2.648 . 0 0 "[ . 1 . 2 ]" 1
1518 1 90 LEU H 1 92 ASP H 3.300 . 4.700 4.016 3.789 4.439 . 0 0 "[ . 1 . 2 ]" 1
1519 1 90 LEU HA 1 90 LEU MD1 4.000 . 5.500 3.792 3.737 3.860 . 0 0 "[ . 1 . 2 ]" 1
1520 1 90 LEU HA 1 92 ASP H 3.600 . 5.200 4.080 3.884 4.705 . 0 0 "[ . 1 . 2 ]" 1
1521 1 90 LEU HA 1 93 PHE H 3.000 . 3.900 3.452 3.228 3.804 . 0 0 "[ . 1 . 2 ]" 1
1522 1 90 LEU HA 1 93 PHE HB2 4.000 . 5.000 3.149 2.552 3.784 . 0 0 "[ . 1 . 2 ]" 1
1523 1 90 LEU HA 1 93 PHE HB3 4.000 . 5.000 3.125 2.594 3.578 . 0 0 "[ . 1 . 2 ]" 1
1524 1 90 LEU HB2 1 91 LEU H 3.300 . 4.400 2.356 2.215 2.739 . 0 0 "[ . 1 . 2 ]" 1
1525 1 90 LEU HB2 1 91 LEU HA 4.000 . 5.500 4.444 4.291 4.643 . 0 0 "[ . 1 . 2 ]" 1
1526 1 90 LEU HB3 1 91 LEU H 3.200 . 4.200 3.270 2.890 3.777 . 0 0 "[ . 1 . 2 ]" 1
1527 1 90 LEU MD2 1 93 PHE H 3.500 . 5.000 4.838 4.592 5.010 0.010 12 0 "[ . 1 . 2 ]" 1
1528 1 91 LEU H 1 91 LEU HB2 2.300 . 2.800 2.234 2.102 2.432 . 0 0 "[ . 1 . 2 ]" 1
1529 1 91 LEU H 1 91 LEU HB3 3.000 . 3.900 3.500 3.456 3.537 . 0 0 "[ . 1 . 2 ]" 1
1530 1 91 LEU H 1 91 LEU MD1 3.200 . 4.200 2.825 1.916 3.487 . 0 0 "[ . 1 . 2 ]" 1
1531 1 91 LEU H 1 92 ASP H 2.700 . 3.400 2.748 2.536 2.976 . 0 0 "[ . 1 . 2 ]" 1
1532 1 91 LEU HA 1 92 ASP H 3.200 . 4.500 3.518 3.484 3.592 . 0 0 "[ . 1 . 2 ]" 1
1533 1 91 LEU HA 1 94 ILE H 3.200 . 4.200 4.146 3.920 4.231 0.031 17 0 "[ . 1 . 2 ]" 1
1534 1 91 LEU HA 1 94 ILE HB 3.000 . 3.500 3.295 2.901 3.513 0.013 7 0 "[ . 1 . 2 ]" 1
1535 1 91 LEU HA 1 94 ILE MD 4.000 . 5.500 3.436 2.015 5.278 . 0 0 "[ . 1 . 2 ]" 1
1536 1 91 LEU HA 1 95 LYS H 3.500 . 4.700 4.201 3.821 4.714 0.014 12 0 "[ . 1 . 2 ]" 1
1537 1 91 LEU HB2 1 92 ASP H 2.900 . 3.700 2.884 2.556 3.087 . 0 0 "[ . 1 . 2 ]" 1
1538 1 91 LEU HB2 1 92 ASP HA 4.000 . 5.500 4.377 4.143 4.569 . 0 0 "[ . 1 . 2 ]" 1
1539 1 91 LEU HB3 1 92 ASP H 2.700 . 3.700 3.510 2.995 3.662 . 0 0 "[ . 1 . 2 ]" 1
1540 1 91 LEU HB3 1 92 ASP H 3.100 . 4.100 3.649 3.022 3.915 . 0 0 "[ . 1 . 2 ]" 1
1541 1 91 LEU QD 1 92 ASP H 3.500 . 5.000 4.096 3.787 4.234 . 0 0 "[ . 1 . 2 ]" 1
1542 1 91 LEU QD 1 95 LYS H 3.400 . 4.900 4.026 3.554 4.374 . 0 0 "[ . 1 . 2 ]" 1
1543 1 91 LEU MD2 1 92 ASP HA 4.000 . 5.500 5.203 4.901 5.404 . 0 0 "[ . 1 . 2 ]" 1
1544 1 92 ASP H 1 92 ASP HA 2.600 . 3.300 2.923 2.840 2.959 . 0 0 "[ . 1 . 2 ]" 1
1545 1 92 ASP H 1 92 ASP HB2 2.400 . 3.000 2.286 2.002 3.178 0.178 20 0 "[ . 1 . 2 ]" 1
1546 1 92 ASP H 1 92 ASP HB3 2.700 . 3.400 2.691 2.044 3.098 . 0 0 "[ . 1 . 2 ]" 1
1547 1 92 ASP H 1 93 PHE H 2.700 . 3.400 2.546 2.408 2.765 . 0 0 "[ . 1 . 2 ]" 1
1548 1 92 ASP H 1 94 ILE H 4.100 . 6.000 4.376 4.086 4.864 . 0 0 "[ . 1 . 2 ]" 1
1549 1 92 ASP HA 1 93 PHE H 3.000 . 3.900 3.574 3.514 3.596 . 0 0 "[ . 1 . 2 ]" 1
1550 1 92 ASP HA 1 95 LYS H 2.800 . 3.900 3.836 3.618 3.960 0.060 20 0 "[ . 1 . 2 ]" 1
1551 1 92 ASP HA 1 95 LYS HB2 3.000 . 3.500 2.819 2.501 3.325 . 0 0 "[ . 1 . 2 ]" 1
1552 1 92 ASP HA 1 95 LYS HB3 4.000 . 5.000 3.737 3.158 4.467 . 0 0 "[ . 1 . 2 ]" 1
1553 1 92 ASP HB2 1 93 PHE H 2.900 . 3.700 3.467 2.755 3.642 . 0 0 "[ . 1 . 2 ]" 1
1554 1 92 ASP HB3 1 93 PHE H 2.800 . 3.600 2.457 2.108 3.006 . 0 0 "[ . 1 . 2 ]" 1
1555 1 93 PHE H 1 93 PHE HA 2.700 . 3.400 2.824 2.777 2.867 . 0 0 "[ . 1 . 2 ]" 1
1556 1 93 PHE H 1 93 PHE HB3 2.400 . 3.000 2.753 2.616 2.887 . 0 0 "[ . 1 . 2 ]" 1
1557 1 93 PHE H 1 93 PHE QD 3.000 . 3.900 3.912 3.725 4.009 0.109 23 0 "[ . 1 . 2 ]" 1
1558 1 93 PHE H 1 94 ILE H 2.700 . 3.400 2.968 2.900 3.082 . 0 0 "[ . 1 . 2 ]" 1
1559 1 93 PHE HA 1 94 ILE H 3.100 . 4.100 3.588 3.573 3.596 . 0 0 "[ . 1 . 2 ]" 1
1560 1 93 PHE HA 1 96 HIS H 3.500 . 4.700 3.643 3.412 3.810 . 0 0 "[ . 1 . 2 ]" 1
1561 1 93 PHE HA 1 96 HIS QB 3.000 . 3.500 2.822 2.381 3.324 . 0 0 "[ . 1 . 2 ]" 1
1562 1 93 PHE HA 1 97 ASN H 3.900 . 5.400 4.763 4.396 5.360 . 0 0 "[ . 1 . 2 ]" 1
1563 1 93 PHE HA 1 97 ASN HD21 3.000 . 4.200 3.878 3.199 4.232 0.032 18 0 "[ . 1 . 2 ]" 1
1564 1 93 PHE HA 1 97 ASN HD22 2.800 . 3.900 3.575 2.846 3.899 . 0 0 "[ . 1 . 2 ]" 1
1565 1 93 PHE HB2 1 94 ILE H 2.800 . 3.900 3.420 3.167 3.545 . 0 0 "[ . 1 . 2 ]" 1
1566 1 93 PHE HB3 1 94 ILE H 2.800 . 3.600 2.104 1.936 2.243 . 0 0 "[ . 1 . 2 ]" 1
1567 1 93 PHE QD 1 94 ILE H 2.800 . 3.600 3.599 3.480 3.642 0.042 13 0 "[ . 1 . 2 ]" 1
1568 1 93 PHE QD 1 94 ILE H 2.600 . 3.600 3.510 3.409 3.546 . 0 0 "[ . 1 . 2 ]" 1
1569 1 93 PHE QD 1 94 ILE HA 4.000 . 5.000 3.893 3.639 4.219 . 0 0 "[ . 1 . 2 ]" 1
1570 1 93 PHE QD 1 95 LYS H 3.300 . 4.700 4.076 3.832 4.343 . 0 0 "[ . 1 . 2 ]" 1
1571 1 93 PHE QD 1 97 ASN HD21 2.500 . 3.400 2.602 2.242 3.033 . 0 0 "[ . 1 . 2 ]" 1
1572 1 93 PHE QD 1 97 ASN HD22 2.400 . 3.300 2.929 2.541 3.290 . 0 0 "[ . 1 . 2 ]" 1
1573 1 94 ILE H 1 94 ILE HA 2.800 . 3.600 2.805 2.778 2.842 . 0 0 "[ . 1 . 2 ]" 1
1574 1 94 ILE H 1 94 ILE HB 2.300 . 2.800 2.466 2.333 2.666 . 0 0 "[ . 1 . 2 ]" 1
1575 1 94 ILE H 1 94 ILE MD 2.600 . 3.300 2.841 2.277 3.354 0.054 24 0 "[ . 1 . 2 ]" 1
1576 1 94 ILE H 1 94 ILE HG12 2.500 . 3.100 2.956 1.917 3.577 0.477 9 0 "[ . 1 . 2 ]" 1
1577 1 94 ILE H 1 94 ILE HG13 2.800 . 3.600 2.465 1.862 3.476 . 0 0 "[ . 1 . 2 ]" 1
1578 1 94 ILE H 1 94 ILE MG 2.900 . 3.700 3.701 3.685 3.711 0.011 13 0 "[ . 1 . 2 ]" 1
1579 1 94 ILE H 1 95 LYS H 2.600 . 3.300 2.975 2.808 3.227 . 0 0 "[ . 1 . 2 ]" 1
1580 1 94 ILE H 1 96 HIS H 3.800 . 5.500 4.115 3.896 4.353 . 0 0 "[ . 1 . 2 ]" 1
1581 1 94 ILE H 1 97 ASN H 4.000 . 5.900 4.890 4.613 5.187 . 0 0 "[ . 1 . 2 ]" 1
1582 1 94 ILE HA 1 94 ILE HG12 4.000 . 5.500 2.942 2.501 3.470 . 0 0 "[ . 1 . 2 ]" 1
1583 1 94 ILE HA 1 95 LYS H 3.500 . 4.700 3.571 3.537 3.597 . 0 0 "[ . 1 . 2 ]" 1
1584 1 94 ILE HA 1 97 ASN H 3.100 . 4.100 3.325 3.000 3.659 . 0 0 "[ . 1 . 2 ]" 1
1585 1 94 ILE HA 1 97 ASN HD21 3.400 . 4.900 3.009 2.108 4.486 . 0 0 "[ . 1 . 2 ]" 1
1586 1 94 ILE HA 1 97 ASN HD22 3.400 . 4.900 4.186 3.612 4.917 0.017 15 0 "[ . 1 . 2 ]" 1
1587 1 94 ILE HA 1 98 GLN H 4.100 . 6.000 3.781 3.201 4.408 . 0 0 "[ . 1 . 2 ]" 1
1588 1 94 ILE HB 1 95 LYS H 2.300 . 3.100 2.228 1.940 2.483 . 0 0 "[ . 1 . 2 ]" 1
1589 1 94 ILE HB 1 96 HIS H 2.800 . 3.900 3.187 2.672 3.582 . 0 0 "[ . 1 . 2 ]" 1
1590 1 94 ILE MD 1 95 LYS H 3.100 . 4.100 4.050 3.532 4.318 0.218 1 0 "[ . 1 . 2 ]" 1
1591 1 94 ILE HG12 1 95 LYS H 3.400 . 4.900 4.673 3.836 5.133 0.233 9 0 "[ . 1 . 2 ]" 1
1592 1 94 ILE MG 1 95 LYS H 2.800 . 3.900 3.128 2.363 3.614 . 0 0 "[ . 1 . 2 ]" 1
1593 1 94 ILE MG 1 97 ASN H 3.900 . 5.700 4.257 4.004 4.546 . 0 0 "[ . 1 . 2 ]" 1
1594 1 94 ILE MG 1 98 GLN H 3.900 . 5.700 3.611 2.939 4.201 . 0 0 "[ . 1 . 2 ]" 1
1595 1 94 ILE MG 1 98 GLN HE21 3.800 . 5.500 3.110 1.914 5.019 . 0 0 "[ . 1 . 2 ]" 1
1596 1 95 LYS H 1 95 LYS HA 2.700 . 3.400 2.812 2.765 2.886 . 0 0 "[ . 1 . 2 ]" 1
1597 1 95 LYS H 1 95 LYS HB2 2.400 . 3.000 2.028 1.903 2.240 . 0 0 "[ . 1 . 2 ]" 1
1598 1 95 LYS H 1 95 LYS HG2 2.900 . 3.700 3.716 2.954 4.316 0.616 11 4 "[ . - 1+ .* 2* ]" 1
1599 1 95 LYS H 1 95 LYS HG3 3.200 . 4.200 3.326 2.333 4.249 0.049 13 0 "[ . 1 . 2 ]" 1
1600 1 95 LYS H 1 96 HIS H 2.800 . 3.600 2.800 2.624 2.950 . 0 0 "[ . 1 . 2 ]" 1
1601 1 95 LYS H 1 96 HIS QB 3.500 . 5.000 4.517 4.138 4.864 . 0 0 "[ . 1 . 2 ]" 1
1602 1 95 LYS H 1 97 ASN H 3.700 . 5.400 4.158 3.899 4.448 . 0 0 "[ . 1 . 2 ]" 1
1603 1 95 LYS HA 1 96 HIS H 3.300 . 4.400 3.519 3.450 3.571 . 0 0 "[ . 1 . 2 ]" 1
1604 1 95 LYS HA 1 97 ASN H 3.500 . 5.000 3.944 3.671 4.176 . 0 0 "[ . 1 . 2 ]" 1
1605 1 95 LYS HA 1 98 GLN HE21 3.800 . 5.500 3.850 2.179 5.244 . 0 0 "[ . 1 . 2 ]" 1
1606 1 95 LYS HA 1 98 GLN QG 4.000 . 5.000 2.829 1.877 4.657 . 0 0 "[ . 1 . 2 ]" 1
1607 1 95 LYS HB2 1 96 HIS H 2.900 . 3.700 3.207 2.870 3.528 . 0 0 "[ . 1 . 2 ]" 1
1608 1 95 LYS HB3 1 96 HIS H 2.900 . 3.700 3.263 2.682 3.714 0.014 17 0 "[ . 1 . 2 ]" 1
1609 1 95 LYS HG2 1 96 HIS H 3.700 . 5.100 4.956 4.631 5.185 0.085 9 0 "[ . 1 . 2 ]" 1
1610 1 95 LYS HG3 1 96 HIS H 3.700 . 5.400 5.059 4.647 5.359 . 0 0 "[ . 1 . 2 ]" 1
1611 1 96 HIS H 1 96 HIS HA 2.600 . 3.300 2.939 2.858 2.998 . 0 0 "[ . 1 . 2 ]" 1
1612 1 96 HIS H 1 96 HIS QB 2.400 . 3.000 2.160 1.930 2.347 . 0 0 "[ . 1 . 2 ]" 1
1613 1 96 HIS H 1 97 ASN H 2.700 . 3.400 2.429 2.204 2.705 . 0 0 "[ . 1 . 2 ]" 1
1614 1 96 HIS HA 1 97 ASN H 3.100 . 4.100 3.451 3.232 3.572 . 0 0 "[ . 1 . 2 ]" 1
1615 1 96 HIS HA 1 98 GLN H 4.200 . 6.000 5.117 4.447 5.845 . 0 0 "[ . 1 . 2 ]" 1
1616 1 96 HIS QB 1 97 ASN H 2.700 . 3.700 3.030 2.598 3.506 . 0 0 "[ . 1 . 2 ]" 1
1617 1 96 HIS QB 1 97 ASN HD21 2.800 . 3.900 3.516 2.575 3.940 0.040 2 0 "[ . 1 . 2 ]" 1
1618 1 96 HIS QB 1 97 ASN HD22 2.700 . 3.700 3.604 3.405 3.735 0.035 11 0 "[ . 1 . 2 ]" 1
1619 1 96 HIS QB 1 98 GLN H 4.200 . 6.000 5.200 4.673 5.797 . 0 0 "[ . 1 . 2 ]" 1
1620 1 97 ASN H 1 97 ASN HA 2.700 . 3.400 2.962 2.939 2.987 . 0 0 "[ . 1 . 2 ]" 1
1621 1 97 ASN H 1 97 ASN HB2 2.800 . 3.600 2.271 2.070 2.459 . 0 0 "[ . 1 . 2 ]" 1
1622 1 97 ASN H 1 97 ASN HB3 2.600 . 3.300 3.539 3.423 3.629 0.329 6 0 "[ . 1 . 2 ]" 1
1623 1 97 ASN H 1 97 ASN HD21 3.100 . 4.400 2.863 2.261 3.147 . 0 0 "[ . 1 . 2 ]" 1
1624 1 97 ASN H 1 97 ASN HD22 3.000 . 3.900 3.912 3.754 4.010 0.110 7 0 "[ . 1 . 2 ]" 1
1625 1 97 ASN H 1 98 GLN H 2.500 . 3.100 2.494 2.166 3.025 . 0 0 "[ . 1 . 2 ]" 1
1626 1 97 ASN HA 1 98 GLN H 3.200 . 4.200 3.576 3.511 3.603 . 0 0 "[ . 1 . 2 ]" 1
1627 1 97 ASN HB2 1 97 ASN HD21 2.600 . 3.600 2.506 2.245 3.535 . 0 0 "[ . 1 . 2 ]" 1
1628 1 97 ASN HB3 1 97 ASN HD21 2.800 . 3.900 3.371 3.088 3.620 . 0 0 "[ . 1 . 2 ]" 1
1629 1 97 ASN HB3 1 98 GLN H 3.700 . 5.400 3.252 2.328 3.929 . 0 0 "[ . 1 . 2 ]" 1
1630 1 97 ASN HD21 1 98 GLN H 3.300 . 4.700 4.415 4.112 4.720 0.020 13 0 "[ . 1 . 2 ]" 1
1631 1 98 GLN H 1 98 GLN HA 2.700 . 3.400 2.865 2.708 2.961 . 0 0 "[ . 1 . 2 ]" 1
1632 1 98 GLN H 1 98 GLN HB2 2.900 . 3.700 3.402 1.929 3.607 . 0 0 "[ . 1 . 2 ]" 1
1633 1 98 GLN H 1 98 GLN HB3 2.700 . 3.400 2.511 2.265 3.230 . 0 0 "[ . 1 . 2 ]" 1
1634 1 98 GLN H 1 98 GLN QG 2.700 . 3.400 2.111 1.918 3.263 . 0 0 "[ . 1 . 2 ]" 1
1635 1 98 GLN H 1 99 LEU HB3 3.600 . 5.200 4.792 3.724 5.473 0.273 8 0 "[ . 1 . 2 ]" 1
1636 1 98 GLN HA 1 99 LEU H 2.900 . 3.700 3.085 2.332 3.576 . 0 0 "[ . 1 . 2 ]" 1
1637 1 98 GLN HB2 1 98 GLN HE21 3.500 . 5.000 3.385 2.099 4.514 . 0 0 "[ . 1 . 2 ]" 1
1638 1 98 GLN HB2 1 98 GLN HE22 3.800 . 5.500 4.100 3.228 4.787 . 0 0 "[ . 1 . 2 ]" 1
1639 1 98 GLN HB3 1 98 GLN HE21 3.900 . 5.700 3.378 1.945 4.484 . 0 0 "[ . 1 . 2 ]" 1
1640 1 98 GLN HB3 1 98 GLN HE22 4.100 . 6.000 4.139 3.453 4.751 . 0 0 "[ . 1 . 2 ]" 1
1641 1 98 GLN HB3 1 99 LEU H 3.600 . 4.900 3.945 1.910 4.681 . 0 0 "[ . 1 . 2 ]" 1
1642 1 98 GLN QG 1 99 LEU H 3.500 . 5.000 2.864 1.844 3.947 . 0 0 "[ . 1 . 2 ]" 1
1643 1 98 GLN QG 1 99 LEU HA 4.000 . 5.000 4.065 3.386 4.960 . 0 0 "[ . 1 . 2 ]" 1
1644 1 98 GLN QG 1 99 LEU MD1 4.000 . 5.000 2.778 1.806 4.183 . 0 0 "[ . 1 . 2 ]" 1
1645 1 98 GLN QG 1 99 LEU QD 4.000 . 5.000 2.663 1.804 3.845 . 0 0 "[ . 1 . 2 ]" 1
1646 1 98 GLN QG 1 99 LEU HG . . 3.500 2.526 1.943 3.473 . 0 0 "[ . 1 . 2 ]" 1
1647 1 99 LEU H 1 99 LEU HA 3.000 . 3.900 2.776 2.358 3.003 . 0 0 "[ . 1 . 2 ]" 1
1648 1 99 LEU H 1 99 LEU HB2 3.000 . 4.200 2.740 2.116 3.548 . 0 0 "[ . 1 . 2 ]" 1
1649 1 99 LEU H 1 99 LEU HB2 2.500 . 3.100 2.401 2.049 2.677 . 0 0 "[ . 1 . 2 ]" 1
1650 1 99 LEU H 1 99 LEU HB3 3.100 . 4.100 3.771 3.463 4.071 . 0 0 "[ . 1 . 2 ]" 1
1651 1 99 LEU H 1 99 LEU HB3 2.500 . 3.400 2.871 2.319 3.415 0.015 14 0 "[ . 1 . 2 ]" 1
1652 1 99 LEU H 1 99 LEU QD 3.100 . 4.100 3.386 2.722 3.792 . 0 0 "[ . 1 . 2 ]" 1
1653 1 99 LEU H 1 100 PRO QD 3.600 . 5.200 3.136 2.244 4.278 . 0 0 "[ . 1 . 2 ]" 1
1654 1 99 LEU HA 1 100 PRO QD 2.000 . 2.500 2.104 1.931 2.357 . 0 0 "[ . 1 . 2 ]" 1
1655 1 99 LEU HA 1 100 PRO HG3 4.000 . 5.500 4.670 4.404 4.998 . 0 0 "[ . 1 . 2 ]" 1
1656 1 100 PRO HA 1 101 LEU H 2.200 . 2.700 2.400 2.222 2.722 0.022 3 0 "[ . 1 . 2 ]" 1
1657 1 100 PRO HB2 1 101 LEU H 3.100 . 4.400 3.295 2.072 4.316 . 0 0 "[ . 1 . 2 ]" 1
1658 1 100 PRO HB3 1 101 LEU H 2.300 . 3.100 2.632 2.006 3.201 0.101 15 0 "[ . 1 . 2 ]" 1
1659 1 100 PRO HB3 1 103 ILE H 4.600 . 6.000 4.356 2.748 5.910 . 0 0 "[ . 1 . 2 ]" 1
1660 1 101 LEU H 1 101 LEU HA 2.800 . 3.600 2.812 2.330 3.001 . 0 0 "[ . 1 . 2 ]" 1
1661 1 101 LEU H 1 101 LEU HB2 2.800 . 3.900 2.586 2.098 3.506 . 0 0 "[ . 1 . 2 ]" 1
1662 1 101 LEU H 1 101 LEU HB2 2.400 . 3.000 2.198 1.944 2.367 . 0 0 "[ . 1 . 2 ]" 1
1663 1 101 LEU H 1 101 LEU HB3 2.900 . 3.700 3.642 3.439 3.978 0.278 13 0 "[ . 1 . 2 ]" 1
1664 1 101 LEU H 1 101 LEU MD1 2.900 . 4.000 3.345 2.265 4.038 0.038 21 0 "[ . 1 . 2 ]" 1
1665 1 101 LEU H 1 102 VAL H 3.100 . 4.400 3.964 3.072 4.572 0.172 9 0 "[ . 1 . 2 ]" 1
1666 1 101 LEU HA 1 102 VAL H 2.300 . 2.800 2.465 2.190 2.788 . 0 0 "[ . 1 . 2 ]" 1
1667 1 101 LEU HB2 1 102 VAL H 3.300 . 4.400 4.214 3.280 4.485 0.085 2 0 "[ . 1 . 2 ]" 1
1668 1 101 LEU HB3 1 102 VAL H 3.300 . 4.400 3.639 1.928 4.427 0.027 19 0 "[ . 1 . 2 ]" 1
1669 1 102 VAL H 1 102 VAL HB 2.700 . 3.400 2.880 2.334 3.580 0.180 21 0 "[ . 1 . 2 ]" 1
1670 1 102 VAL H 1 102 VAL MG1 2.800 . 3.900 2.775 1.891 3.843 . 0 0 "[ . 1 . 2 ]" 1
1671 1 102 VAL HA 1 103 ILE H 2.500 . 3.100 2.588 2.213 3.018 . 0 0 "[ . 1 . 2 ]" 1
1672 1 102 VAL HB 1 103 ILE H 3.800 . 5.200 4.323 2.834 4.680 . 0 0 "[ . 1 . 2 ]" 1
1673 1 102 VAL MG2 1 103 ILE H 3.200 . 4.500 3.089 2.144 3.986 . 0 0 "[ . 1 . 2 ]" 1
1674 1 103 ILE H 1 103 ILE HB 3.000 . 3.900 2.933 2.323 3.778 . 0 0 "[ . 1 . 2 ]" 1
1675 1 103 ILE H 1 103 ILE HG12 3.500 . 5.000 3.459 1.936 4.937 . 0 0 "[ . 1 . 2 ]" 1
1676 1 103 ILE H 1 103 ILE HG13 3.600 . 4.900 3.142 2.115 4.643 . 0 0 "[ . 1 . 2 ]" 1
1677 1 103 ILE HA 1 104 GLU H 2.600 . 3.300 2.535 2.213 3.518 0.218 22 0 "[ . 1 . 2 ]" 1
1678 1 103 ILE HG12 1 104 GLU H 4.000 . 5.900 4.775 2.260 5.718 . 0 0 "[ . 1 . 2 ]" 1
1679 1 103 ILE MG 1 104 GLU H 3.300 . 4.700 3.538 2.133 4.350 . 0 0 "[ . 1 . 2 ]" 1
1680 1 104 GLU H 1 104 GLU QB 3.300 . 4.400 2.582 1.989 3.257 . 0 0 "[ . 1 . 2 ]" 1
1681 1 104 GLU H 1 104 GLU HB3 3.200 . 4.500 3.366 2.800 4.019 . 0 0 "[ . 1 . 2 ]" 1
1682 1 104 GLU H 1 104 GLU HG2 4.100 . 6.000 4.253 3.211 5.032 . 0 0 "[ . 1 . 2 ]" 1
1683 1 104 GLU H 1 104 GLU HG3 4.400 . 6.000 4.218 2.319 5.196 . 0 0 "[ . 1 . 2 ]" 1
1684 1 104 GLU HA 1 105 PHE H 2.900 . 3.700 2.752 2.214 3.592 . 0 0 "[ . 1 . 2 ]" 1
1685 1 105 PHE H 1 105 PHE HB2 3.800 . 5.500 2.739 1.951 3.857 . 0 0 "[ . 1 . 2 ]" 1
1686 1 105 PHE H 1 105 PHE QB 3.500 . 4.700 2.502 1.934 3.289 . 0 0 "[ . 1 . 2 ]" 1
1687 1 105 PHE H 1 105 PHE HB3 3.600 . 5.200 3.309 2.465 4.039 . 0 0 "[ . 1 . 2 ]" 1
1688 1 105 PHE H 1 106 THR H 3.900 . 5.700 3.163 1.950 4.191 . 0 0 "[ . 1 . 2 ]" 1
1689 1 105 PHE HA 1 106 THR H 2.900 . 3.700 2.761 2.213 3.589 . 0 0 "[ . 1 . 2 ]" 1
1690 1 105 PHE HB2 1 106 THR H 4.100 . 5.800 3.704 2.119 4.690 . 0 0 "[ . 1 . 2 ]" 1
1691 1 106 THR H 1 106 THR HB 3.900 . 5.400 3.180 2.395 3.846 . 0 0 "[ . 1 . 2 ]" 1
1692 1 106 THR H 1 106 THR MG 4.000 . 5.900 3.151 1.964 4.034 . 0 0 "[ . 1 . 2 ]" 1
1693 1 106 THR HA 1 107 GLU H 2.900 . 3.700 2.554 2.213 3.540 . 0 0 "[ . 1 . 2 ]" 1
1694 1 106 THR HB 1 107 GLU H 4.300 . 6.000 3.812 1.936 4.605 . 0 0 "[ . 1 . 2 ]" 1
1695 1 107 GLU H 1 107 GLU HB2 3.900 . 5.400 2.708 1.988 3.675 . 0 0 "[ . 1 . 2 ]" 1
1696 1 107 GLU H 1 107 GLU HB3 3.800 . 5.200 3.296 2.341 4.059 . 0 0 "[ . 1 . 2 ]" 1
1697 1 107 GLU HA 1 108 GLN H 3.100 . 4.100 2.869 2.212 3.593 . 0 0 "[ . 1 . 2 ]" 1
1698 1 108 GLN HA 1 109 THR H 3.500 . 4.700 2.700 2.216 3.591 . 0 0 "[ . 1 . 2 ]" 1
1699 1 109 THR HA 1 110 ALA H 4.600 . 6.000 2.650 2.213 3.591 . 0 0 "[ . 1 . 2 ]" 1
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