NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477607 |
2kzw   |
17021 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzw
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 1161
_Distance_constraint_stats_list.Viol_count 776
_Distance_constraint_stats_list.Viol_total 1372.997
_Distance_constraint_stats_list.Viol_max 0.648
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0885
_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 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.425 0.233 12 0 "[ . 1 . 2]"
1 11 TRP 0.940 0.156 19 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.566 0.154 20 0 "[ . 1 . 2]"
1 15 ARG 0.566 0.154 20 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.513 0.098 19 0 "[ . 1 . 2]"
1 18 TYR 2.073 0.241 2 0 "[ . 1 . 2]"
1 19 TRP 1.865 0.241 2 0 "[ . 1 . 2]"
1 20 SER 0.066 0.066 19 0 "[ . 1 . 2]"
1 21 ASP 1.111 0.159 10 0 "[ . 1 . 2]"
1 22 TYR 1.860 0.247 11 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.640 0.247 11 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASN 0.692 0.149 6 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.384 0.095 13 0 "[ . 1 . 2]"
1 33 GLY 0.095 0.095 13 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.419 0.287 5 0 "[ . 1 . 2]"
1 36 ALA 0.515 0.287 5 0 "[ . 1 . 2]"
1 37 TYR 0.096 0.065 13 0 "[ . 1 . 2]"
1 38 ALA 1.570 0.313 11 0 "[ . 1 . 2]"
1 39 VAL 1.699 0.313 11 0 "[ . 1 . 2]"
1 40 ASN 0.806 0.219 4 0 "[ . 1 . 2]"
1 41 PRO 0.129 0.129 20 0 "[ . 1 . 2]"
1 42 GLU 2.178 0.309 15 0 "[ . 1 . 2]"
1 43 ALA 1.674 0.309 15 0 "[ . 1 . 2]"
1 44 GLY 0.276 0.153 20 0 "[ . 1 . 2]"
1 45 SER 0.714 0.190 20 0 "[ . 1 . 2]"
1 46 MET 0.714 0.190 20 0 "[ . 1 . 2]"
1 52 MET 0.205 0.104 19 0 "[ . 1 . 2]"
1 53 GLU 1.174 0.111 10 0 "[ . 1 . 2]"
1 54 TYR 0.969 0.111 10 0 "[ . 1 . 2]"
1 55 LEU 0.043 0.043 10 0 "[ . 1 . 2]"
1 59 PRO 1.728 0.254 5 0 "[ . 1 . 2]"
1 60 VAL 2.760 0.255 11 0 "[ . 1 . 2]"
1 61 LEU 3.193 0.224 1 0 "[ . 1 . 2]"
1 62 PRO 6.197 0.648 16 2 "[ . - 1 .+ 2]"
1 63 THR 9.782 0.648 16 2 "[ . - 1 .+ 2]"
1 64 ALA 0.486 0.092 7 0 "[ . 1 . 2]"
1 65 ARG 0.600 0.134 17 0 "[ . 1 . 2]"
1 66 PHE 1.328 0.186 7 0 "[ . 1 . 2]"
1 67 THR 0.699 0.165 5 0 "[ . 1 . 2]"
1 68 SER 0.225 0.084 9 0 "[ . 1 . 2]"
1 69 ASP 0.040 0.023 5 0 "[ . 1 . 2]"
1 70 ILE 1.496 0.159 3 0 "[ . 1 . 2]"
1 71 THR 0.682 0.159 3 0 "[ . 1 . 2]"
1 72 GLU 1.551 0.136 9 0 "[ . 1 . 2]"
1 73 GLY 0.084 0.082 13 0 "[ . 1 . 2]"
1 74 PHE 0.472 0.138 1 0 "[ . 1 . 2]"
1 75 ALA 1.018 0.174 18 0 "[ . 1 . 2]"
1 77 LEU 1.908 0.213 5 0 "[ . 1 . 2]"
1 78 SER 1.630 0.184 8 0 "[ . 1 . 2]"
1 79 VAL 1.524 0.276 5 0 "[ . 1 . 2]"
1 82 LYS 0.540 0.165 5 0 "[ . 1 . 2]"
1 83 ASP 0.149 0.068 10 0 "[ . 1 . 2]"
1 84 PHE 2.963 0.270 5 0 "[ . 1 . 2]"
1 85 SER 2.772 0.190 16 0 "[ . 1 . 2]"
1 86 GLU 1.871 0.186 9 0 "[ . 1 . 2]"
1 87 ASN 3.348 0.328 15 0 "[ . 1 . 2]"
1 88 ALA 0.339 0.122 12 0 "[ . 1 . 2]"
1 89 THR 0.209 0.122 12 0 "[ . 1 . 2]"
1 90 SER 0.155 0.096 9 0 "[ . 1 . 2]"
1 91 ARG 0.263 0.096 9 0 "[ . 1 . 2]"
1 92 LEU 0.335 0.145 17 0 "[ . 1 . 2]"
1 93 TRP 1.024 0.173 20 0 "[ . 1 . 2]"
1 94 MET 1.856 0.260 15 0 "[ . 1 . 2]"
1 95 PHE 0.572 0.185 18 0 "[ . 1 . 2]"
1 96 GLY 0.346 0.072 12 0 "[ . 1 . 2]"
1 97 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASN 0.451 0.384 12 0 "[ . 1 . 2]"
1 100 THR 2.255 0.260 15 0 "[ . 1 . 2]"
1 101 SER 1.048 0.148 17 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 THR 1.172 0.276 5 0 "[ . 1 . 2]"
1 110 PHE 0.299 0.129 12 0 "[ . 1 . 2]"
1 111 PHE 0.494 0.213 5 0 "[ . 1 . 2]"
1 112 ASN 0.006 0.006 11 0 "[ . 1 . 2]"
1 113 GLU 0.943 0.213 16 0 "[ . 1 . 2]"
1 114 GLY 0.600 0.213 16 0 "[ . 1 . 2]"
1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 TYR 0.041 0.041 8 0 "[ . 1 . 2]"
1 117 ILE 3.197 0.194 12 0 "[ . 1 . 2]"
1 118 VAL 2.403 0.222 3 0 "[ . 1 . 2]"
1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LEU 4.549 0.270 5 0 "[ . 1 . 2]"
1 121 ILE 2.070 0.178 16 0 "[ . 1 . 2]"
1 122 VAL 2.012 0.171 18 0 "[ . 1 . 2]"
1 123 SER 0.759 0.118 17 0 "[ . 1 . 2]"
1 124 ASN 0.374 0.053 11 0 "[ . 1 . 2]"
1 125 GLU 0.254 0.173 11 0 "[ . 1 . 2]"
1 126 ASN 3.595 0.255 11 0 "[ . 1 . 2]"
1 127 ASP 0.698 0.105 2 0 "[ . 1 . 2]"
1 128 SER 0.525 0.088 2 0 "[ . 1 . 2]"
1 129 ASP 1.437 0.210 5 0 "[ . 1 . 2]"
1 130 SER 1.238 0.210 5 0 "[ . 1 . 2]"
1 131 ALA 1.901 0.346 16 0 "[ . 1 . 2]"
1 132 SER 1.838 0.346 16 0 "[ . 1 . 2]"
1 133 VAL 1.336 0.222 3 0 "[ . 1 . 2]"
1 134 THR 0.162 0.113 5 0 "[ . 1 . 2]"
1 135 ILE 3.142 0.194 12 0 "[ . 1 . 2]"
1 136 ARG 0.046 0.024 4 0 "[ . 1 . 2]"
1 137 ALA 0.405 0.120 13 0 "[ . 1 . 2]"
1 138 LEU 8.673 0.435 12 0 "[ . 1 . 2]"
1 139 GLU 3.550 0.415 9 0 "[ . 1 . 2]"
1 140 HIS 0.053 0.053 6 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 8 PHE QB 1 9 ASN H 6.300 . 6.300 3.276 2.309 3.973 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASN QB 1 10 THR H 5.810 . 5.810 3.306 2.296 3.962 . 0 0 "[ . 1 . 2]" 1
3 1 10 THR H 1 10 THR HB 3.410 . 3.410 3.037 2.638 3.643 0.233 12 0 "[ . 1 . 2]" 1
4 1 10 THR H 1 10 THR MG 4.330 . 4.330 2.993 1.876 3.990 . 0 0 "[ . 1 . 2]" 1
5 1 10 THR HA 1 10 THR MG 3.610 . 3.610 2.837 2.297 3.251 . 0 0 "[ . 1 . 2]" 1
6 1 10 THR HB 1 11 TRP H 4.580 . 4.580 4.195 3.960 4.468 . 0 0 "[ . 1 . 2]" 1
7 1 11 TRP H 1 11 TRP QB 3.770 . 3.770 2.608 2.341 3.276 . 0 0 "[ . 1 . 2]" 1
8 1 11 TRP HA 1 11 TRP HD1 4.900 . 4.900 4.563 4.267 4.787 . 0 0 "[ . 1 . 2]" 1
9 1 11 TRP HA 1 11 TRP HE1 6.300 . 6.300 5.681 5.358 5.960 . 0 0 "[ . 1 . 2]" 1
10 1 11 TRP HA 1 11 TRP HZ3 4.570 . 4.570 4.579 4.317 4.726 0.156 19 0 "[ . 1 . 2]" 1
11 1 12 ASN HB2 1 13 ASP H 6.100 . 6.100 3.757 2.491 4.504 . 0 0 "[ . 1 . 2]" 1
12 1 12 ASN HB3 1 13 ASP H 6.100 . 6.100 3.911 2.217 4.412 . 0 0 "[ . 1 . 2]" 1
13 1 13 ASP QB 1 14 SER H 6.280 . 6.280 3.185 2.177 4.023 . 0 0 "[ . 1 . 2]" 1
14 1 14 SER HA 1 15 ARG H 3.270 . 3.270 2.202 2.128 2.449 . 0 0 "[ . 1 . 2]" 1
15 1 14 SER QB 1 15 ARG HA 4.340 . 4.340 4.254 3.938 4.494 0.154 20 0 "[ . 1 . 2]" 1
16 1 15 ARG HA 1 16 GLY QA 4.150 . 4.150 3.928 3.844 4.078 . 0 0 "[ . 1 . 2]" 1
17 1 17 ASN HA 1 18 TYR QD 4.240 . 4.240 3.819 3.273 4.307 0.067 12 0 "[ . 1 . 2]" 1
18 1 17 ASN QB 1 18 TYR H 4.680 . 4.680 3.157 2.186 3.917 . 0 0 "[ . 1 . 2]" 1
19 1 17 ASN QB 1 18 TYR QD 5.200 . 5.200 5.009 4.601 5.298 0.098 19 0 "[ . 1 . 2]" 1
20 1 18 TYR H 1 18 TYR QD 5.690 . 5.690 3.082 2.123 3.698 . 0 0 "[ . 1 . 2]" 1
21 1 18 TYR HA 1 18 TYR QD 4.120 . 4.120 3.241 2.467 3.779 . 0 0 "[ . 1 . 2]" 1
22 1 18 TYR HA 1 19 TRP H 3.520 . 3.520 2.328 2.113 2.803 . 0 0 "[ . 1 . 2]" 1
23 1 18 TYR QB 1 19 TRP H 4.340 . 4.340 2.744 2.145 4.055 . 0 0 "[ . 1 . 2]" 1
24 1 18 TYR QD 1 19 TRP HD1 5.260 . 5.260 5.237 4.446 5.501 0.241 2 0 "[ . 1 . 2]" 1
25 1 19 TRP H 1 19 TRP HB2 4.380 . 4.380 3.264 2.533 4.006 . 0 0 "[ . 1 . 2]" 1
26 1 19 TRP H 1 19 TRP QB 3.640 . 3.640 2.875 2.493 3.343 . 0 0 "[ . 1 . 2]" 1
27 1 19 TRP H 1 19 TRP HB3 4.380 . 4.380 3.491 2.728 4.075 . 0 0 "[ . 1 . 2]" 1
28 1 19 TRP H 1 19 TRP HD1 5.110 . 5.110 3.421 2.092 5.142 0.032 16 0 "[ . 1 . 2]" 1
29 1 19 TRP HA 1 19 TRP HE1 6.300 . 6.300 5.607 4.665 6.364 0.064 7 0 "[ . 1 . 2]" 1
30 1 19 TRP QB 1 19 TRP HZ3 5.050 . 5.050 4.711 4.627 4.932 . 0 0 "[ . 1 . 2]" 1
31 1 20 SER HA 1 21 ASP H 3.590 . 3.590 2.264 2.107 3.092 . 0 0 "[ . 1 . 2]" 1
32 1 20 SER HA 1 21 ASP HA 4.900 . 4.900 4.425 4.325 4.689 . 0 0 "[ . 1 . 2]" 1
33 1 20 SER QB 1 21 ASP H 4.390 . 4.390 3.421 2.451 4.066 . 0 0 "[ . 1 . 2]" 1
34 1 20 SER QB 1 21 ASP HA 4.570 . 4.570 4.336 4.135 4.636 0.066 19 0 "[ . 1 . 2]" 1
35 1 20 SER HB2 1 21 ASP H 5.230 . 5.230 4.103 2.608 4.546 . 0 0 "[ . 1 . 2]" 1
36 1 20 SER HB3 1 21 ASP H 5.230 . 5.230 3.791 2.495 4.678 . 0 0 "[ . 1 . 2]" 1
37 1 21 ASP H 1 21 ASP QB 3.680 . 3.680 2.627 2.305 3.073 . 0 0 "[ . 1 . 2]" 1
38 1 21 ASP HA 1 22 TYR H 2.980 . 2.980 2.356 2.093 2.692 . 0 0 "[ . 1 . 2]" 1
39 1 21 ASP HB2 1 22 TYR H 4.060 . 4.060 3.540 1.907 4.219 0.159 10 0 "[ . 1 . 2]" 1
40 1 21 ASP HB3 1 22 TYR H 4.060 . 4.060 3.534 2.422 4.107 0.047 1 0 "[ . 1 . 2]" 1
41 1 22 TYR H 1 22 TYR QB 3.070 . 3.070 2.671 2.274 3.160 0.090 20 0 "[ . 1 . 2]" 1
42 1 22 TYR H 1 22 TYR QD 4.530 . 4.530 3.404 2.268 4.535 0.005 9 0 "[ . 1 . 2]" 1
43 1 22 TYR HA 1 22 TYR QD 4.380 . 4.380 2.948 2.139 3.782 . 0 0 "[ . 1 . 2]" 1
44 1 22 TYR HA 1 23 GLU H 3.320 . 3.320 2.233 2.041 3.225 . 0 0 "[ . 1 . 2]" 1
45 1 22 TYR HA 1 23 GLU HA 4.690 . 4.690 4.374 4.253 4.533 . 0 0 "[ . 1 . 2]" 1
46 1 22 TYR HA 1 24 GLY H 5.750 . 5.750 5.178 3.604 5.997 0.247 11 0 "[ . 1 . 2]" 1
47 1 23 GLU H 1 23 GLU QB 3.540 . 3.540 2.712 2.309 3.332 . 0 0 "[ . 1 . 2]" 1
48 1 23 GLU H 1 23 GLU QG 4.890 . 4.890 3.065 1.902 4.368 . 0 0 "[ . 1 . 2]" 1
49 1 23 GLU HA 1 23 GLU QG 3.910 . 3.910 2.914 2.385 3.545 . 0 0 "[ . 1 . 2]" 1
50 1 23 GLU HA 1 24 GLY H 3.680 . 3.680 2.521 2.101 3.579 . 0 0 "[ . 1 . 2]" 1
51 1 23 GLU HA 1 24 GLY QA 4.660 . 4.660 4.047 3.881 4.467 . 0 0 "[ . 1 . 2]" 1
52 1 23 GLU QB 1 24 GLY H 4.660 . 4.660 3.331 1.708 4.044 . 0 0 "[ . 1 . 2]" 1
53 1 26 ASP HA 1 27 GLU H 3.710 . 3.710 2.260 2.100 3.455 . 0 0 "[ . 1 . 2]" 1
54 1 26 ASP HB2 1 27 GLU H 5.530 . 5.530 3.800 2.327 4.510 . 0 0 "[ . 1 . 2]" 1
55 1 26 ASP HB3 1 27 GLU H 5.530 . 5.530 4.063 3.204 4.345 . 0 0 "[ . 1 . 2]" 1
56 1 27 GLU H 1 27 GLU QB 3.830 . 3.830 2.765 2.273 3.334 . 0 0 "[ . 1 . 2]" 1
57 1 27 GLU H 1 27 GLU QG 4.630 . 4.630 3.257 1.824 4.243 . 0 0 "[ . 1 . 2]" 1
58 1 27 GLU QG 1 28 ASN H 5.400 . 5.400 3.771 2.397 4.614 . 0 0 "[ . 1 . 2]" 1
59 1 28 ASN HA 1 28 ASN HD21 2.960 . 2.960 2.149 1.750 2.861 . 0 0 "[ . 1 . 2]" 1
60 1 28 ASN HA 1 28 ASN HD22 3.570 . 3.570 3.502 3.316 3.719 0.149 6 0 "[ . 1 . 2]" 1
61 1 28 ASN HA 1 29 GLY H 3.010 . 3.010 2.225 2.116 2.809 . 0 0 "[ . 1 . 2]" 1
62 1 30 ASP H 1 30 ASP QB 3.910 . 3.910 2.714 2.290 3.364 . 0 0 "[ . 1 . 2]" 1
63 1 30 ASP HA 1 31 GLY H 3.590 . 3.590 2.404 2.109 3.484 . 0 0 "[ . 1 . 2]" 1
64 1 30 ASP QB 1 31 GLY H 4.840 . 4.840 3.133 1.878 3.911 . 0 0 "[ . 1 . 2]" 1
65 1 31 GLY QA 1 32 ILE H 3.520 . 3.520 2.199 2.064 2.553 . 0 0 "[ . 1 . 2]" 1
66 1 31 GLY QA 1 32 ILE HA 4.370 . 4.370 3.989 3.900 4.112 . 0 0 "[ . 1 . 2]" 1
67 1 32 ILE H 1 32 ILE HB 3.960 . 3.960 3.087 2.360 3.815 . 0 0 "[ . 1 . 2]" 1
68 1 32 ILE H 1 32 ILE HG12 4.790 . 4.790 3.387 2.098 4.570 . 0 0 "[ . 1 . 2]" 1
69 1 32 ILE H 1 32 ILE QG 4.040 . 4.040 2.855 1.725 4.132 0.092 1 0 "[ . 1 . 2]" 1
70 1 32 ILE H 1 32 ILE HG13 4.790 . 4.790 3.512 1.730 4.753 . 0 0 "[ . 1 . 2]" 1
71 1 32 ILE HA 1 33 GLY H 3.650 . 3.650 2.257 2.090 3.224 . 0 0 "[ . 1 . 2]" 1
72 1 32 ILE HA 1 33 GLY QA 4.150 . 4.150 3.941 3.873 4.245 0.095 13 0 "[ . 1 . 2]" 1
73 1 32 ILE HB 1 33 GLY H 5.320 . 5.320 3.860 2.166 4.441 . 0 0 "[ . 1 . 2]" 1
74 1 33 GLY QA 1 34 ASP H 3.560 . 3.560 2.320 2.086 2.930 . 0 0 "[ . 1 . 2]" 1
75 1 34 ASP H 1 34 ASP QB 3.820 . 3.820 2.508 2.259 3.185 . 0 0 "[ . 1 . 2]" 1
76 1 35 SER QB 1 36 ALA HA 4.350 . 4.350 4.181 3.966 4.422 0.072 13 0 "[ . 1 . 2]" 1
77 1 35 SER HB2 1 36 ALA HA 5.230 . 5.230 4.771 4.132 5.001 . 0 0 "[ . 1 . 2]" 1
78 1 35 SER HB3 1 36 ALA HA 5.230 . 5.230 4.665 4.312 5.517 0.287 5 0 "[ . 1 . 2]" 1
79 1 36 ALA H 1 37 TYR HA 5.110 . 5.110 4.828 4.340 5.175 0.065 13 0 "[ . 1 . 2]" 1
80 1 36 ALA HA 1 37 TYR H 3.540 . 3.540 2.221 2.100 2.502 . 0 0 "[ . 1 . 2]" 1
81 1 36 ALA HA 1 37 TYR HA 5.180 . 5.180 4.400 4.314 4.471 . 0 0 "[ . 1 . 2]" 1
82 1 36 ALA MB 1 37 TYR H 4.400 . 4.400 3.029 2.250 3.670 . 0 0 "[ . 1 . 2]" 1
83 1 37 TYR H 1 37 TYR HB2 4.260 . 4.260 3.222 2.469 3.982 . 0 0 "[ . 1 . 2]" 1
84 1 37 TYR H 1 37 TYR QB 3.550 . 3.550 2.696 2.289 3.248 . 0 0 "[ . 1 . 2]" 1
85 1 37 TYR H 1 37 TYR HB3 4.260 . 4.260 3.124 2.477 3.814 . 0 0 "[ . 1 . 2]" 1
86 1 37 TYR H 1 37 TYR QD 4.660 . 4.660 3.185 1.991 4.541 . 0 0 "[ . 1 . 2]" 1
87 1 37 TYR HA 1 37 TYR QD 4.370 . 4.370 3.224 2.632 3.785 . 0 0 "[ . 1 . 2]" 1
88 1 37 TYR HA 1 38 ALA H 3.400 . 3.400 2.218 2.075 2.529 . 0 0 "[ . 1 . 2]" 1
89 1 37 TYR HA 1 38 ALA HA 4.740 . 4.740 4.386 4.281 4.497 . 0 0 "[ . 1 . 2]" 1
90 1 37 TYR QB 1 38 ALA H 4.490 . 4.490 3.145 2.161 3.987 . 0 0 "[ . 1 . 2]" 1
91 1 37 TYR QD 1 38 ALA H 6.300 . 6.300 3.916 3.105 4.858 . 0 0 "[ . 1 . 2]" 1
92 1 38 ALA HA 1 39 VAL H 3.200 . 3.200 2.301 2.079 3.513 0.313 11 0 "[ . 1 . 2]" 1
93 1 38 ALA HA 1 39 VAL HA 4.620 . 4.620 4.394 4.314 4.634 0.014 11 0 "[ . 1 . 2]" 1
94 1 38 ALA MB 1 39 VAL H 4.300 . 4.300 2.935 2.064 3.579 . 0 0 "[ . 1 . 2]" 1
95 1 38 ALA MB 1 39 VAL QG 3.970 . 3.970 3.940 3.074 4.158 0.188 6 0 "[ . 1 . 2]" 1
96 1 39 VAL H 1 39 VAL HB 4.070 . 4.070 3.113 2.484 3.800 . 0 0 "[ . 1 . 2]" 1
97 1 39 VAL H 1 39 VAL QG 3.800 . 3.800 2.190 1.825 2.738 . 0 0 "[ . 1 . 2]" 1
98 1 39 VAL HA 1 40 ASN H 3.640 . 3.640 2.263 2.045 3.518 . 0 0 "[ . 1 . 2]" 1
99 1 39 VAL QG 1 41 PRO HA 5.670 . 5.670 4.333 3.328 5.799 0.129 20 0 "[ . 1 . 2]" 1
100 1 40 ASN H 1 40 ASN QD 5.180 . 5.180 3.921 2.412 4.853 . 0 0 "[ . 1 . 2]" 1
101 1 40 ASN H 1 41 PRO HA 6.100 . 6.100 5.051 4.555 5.593 . 0 0 "[ . 1 . 2]" 1
102 1 40 ASN H 1 41 PRO QD 5.280 . 5.280 3.893 3.058 4.478 . 0 0 "[ . 1 . 2]" 1
103 1 40 ASN HA 1 40 ASN QD 4.180 . 4.180 3.621 2.762 4.206 0.026 19 0 "[ . 1 . 2]" 1
104 1 40 ASN HA 1 41 PRO QD 3.120 . 3.120 1.933 1.752 2.137 . 0 0 "[ . 1 . 2]" 1
105 1 40 ASN HA 1 42 GLU H 5.000 . 5.000 4.518 3.190 5.219 0.219 4 0 "[ . 1 . 2]" 1
106 1 40 ASN QB 1 42 GLU H 5.090 . 5.090 3.866 2.343 5.128 0.038 13 0 "[ . 1 . 2]" 1
107 1 41 PRO QD 1 42 GLU H 4.730 . 4.730 3.513 2.362 4.525 . 0 0 "[ . 1 . 2]" 1
108 1 42 GLU H 1 42 GLU HB2 4.260 . 4.260 2.917 2.339 3.846 . 0 0 "[ . 1 . 2]" 1
109 1 42 GLU H 1 42 GLU HB3 4.260 . 4.260 3.541 2.592 4.124 . 0 0 "[ . 1 . 2]" 1
110 1 42 GLU H 1 42 GLU QG 4.540 . 4.540 2.745 1.911 4.022 . 0 0 "[ . 1 . 2]" 1
111 1 42 GLU HA 1 43 ALA H 3.550 . 3.550 2.714 2.191 3.564 0.014 20 0 "[ . 1 . 2]" 1
112 1 42 GLU QB 1 43 ALA H 4.510 . 4.510 2.332 1.744 3.939 . 0 0 "[ . 1 . 2]" 1
113 1 42 GLU QB 1 43 ALA MB 3.940 . 3.940 3.827 3.193 4.249 0.309 15 0 "[ . 1 . 2]" 1
114 1 43 ALA HA 1 44 GLY QA 4.150 . 4.150 3.980 3.896 4.303 0.153 20 0 "[ . 1 . 2]" 1
115 1 43 ALA MB 1 44 GLY QA 4.290 . 4.290 3.864 3.619 4.177 . 0 0 "[ . 1 . 2]" 1
116 1 45 SER QB 1 46 MET QG 4.910 . 4.910 4.566 3.031 5.100 0.190 20 0 "[ . 1 . 2]" 1
117 1 52 MET HA 1 53 GLU H 3.410 . 3.410 2.357 2.103 3.514 0.104 19 0 "[ . 1 . 2]" 1
118 1 52 MET QB 1 53 GLU H 4.070 . 4.070 3.377 2.386 4.000 . 0 0 "[ . 1 . 2]" 1
119 1 53 GLU H 1 53 GLU QB 3.690 . 3.690 2.670 2.374 3.056 . 0 0 "[ . 1 . 2]" 1
120 1 53 GLU H 1 54 TYR HA 4.980 . 4.980 4.973 4.584 5.080 0.100 4 0 "[ . 1 . 2]" 1
121 1 53 GLU HA 1 54 TYR H 3.660 . 3.660 2.353 2.112 3.413 . 0 0 "[ . 1 . 2]" 1
122 1 53 GLU HA 1 54 TYR HA 4.760 . 4.760 4.387 4.273 4.608 . 0 0 "[ . 1 . 2]" 1
123 1 53 GLU QB 1 54 TYR H 3.070 . 3.070 2.727 2.007 3.181 0.111 10 0 "[ . 1 . 2]" 1
124 1 54 TYR H 1 54 TYR HB2 4.140 . 4.140 2.857 2.354 3.895 . 0 0 "[ . 1 . 2]" 1
125 1 54 TYR H 1 54 TYR HB3 4.140 . 4.140 3.556 2.836 3.798 . 0 0 "[ . 1 . 2]" 1
126 1 54 TYR H 1 54 TYR QD 4.740 . 4.740 2.815 2.072 3.553 . 0 0 "[ . 1 . 2]" 1
127 1 54 TYR HA 1 55 LEU H 3.460 . 3.460 2.282 2.090 2.919 . 0 0 "[ . 1 . 2]" 1
128 1 54 TYR HA 1 55 LEU HA 5.550 . 5.550 4.388 4.272 4.928 . 0 0 "[ . 1 . 2]" 1
129 1 55 LEU H 1 55 LEU QB 3.700 . 3.700 2.482 2.271 3.003 . 0 0 "[ . 1 . 2]" 1
130 1 55 LEU H 1 55 LEU HG 4.860 . 4.860 3.765 2.514 4.903 0.043 10 0 "[ . 1 . 2]" 1
131 1 59 PRO HA 1 60 VAL H 2.940 . 2.940 2.316 2.144 2.504 . 0 0 "[ . 1 . 2]" 1
132 1 59 PRO HA 1 60 VAL HA 5.800 . 5.800 4.297 4.182 4.395 . 0 0 "[ . 1 . 2]" 1
133 1 59 PRO HA 1 60 VAL MG1 5.260 . 5.260 3.852 3.530 4.254 . 0 0 "[ . 1 . 2]" 1
134 1 59 PRO HA 1 126 ASN QD 4.840 . 4.840 4.232 3.481 4.867 0.027 11 0 "[ . 1 . 2]" 1
135 1 59 PRO QB 1 60 VAL H 3.860 . 3.860 2.743 2.413 3.075 . 0 0 "[ . 1 . 2]" 1
136 1 59 PRO QB 1 60 VAL MG1 4.070 . 4.070 4.059 3.682 4.324 0.254 5 0 "[ . 1 . 2]" 1
137 1 59 PRO QB 1 126 ASN QD 5.240 . 5.240 2.344 1.426 3.403 . 0 0 "[ . 1 . 2]" 1
138 1 59 PRO QD 1 126 ASN QD 5.890 . 5.890 4.024 2.733 5.094 . 0 0 "[ . 1 . 2]" 1
139 1 59 PRO QG 1 60 VAL H 4.790 . 4.790 4.392 4.177 4.609 . 0 0 "[ . 1 . 2]" 1
140 1 59 PRO QG 1 61 LEU HA 6.300 . 6.300 6.111 5.535 6.408 0.108 7 0 "[ . 1 . 2]" 1
141 1 59 PRO QG 1 126 ASN QD 5.070 . 5.070 2.876 1.840 3.887 . 0 0 "[ . 1 . 2]" 1
142 1 60 VAL H 1 60 VAL HB 3.730 . 3.730 2.796 2.546 3.117 . 0 0 "[ . 1 . 2]" 1
143 1 60 VAL H 1 60 VAL MG1 3.240 . 3.240 2.039 1.874 2.243 . 0 0 "[ . 1 . 2]" 1
144 1 60 VAL H 1 60 VAL MG2 4.170 . 4.170 3.832 3.774 3.926 . 0 0 "[ . 1 . 2]" 1
145 1 60 VAL H 1 61 LEU H 4.650 . 4.650 4.468 4.211 4.551 . 0 0 "[ . 1 . 2]" 1
146 1 60 VAL HA 1 61 LEU H 2.950 . 2.950 2.140 2.050 2.219 . 0 0 "[ . 1 . 2]" 1
147 1 60 VAL HA 1 61 LEU QB 5.580 . 5.580 4.614 4.482 4.777 . 0 0 "[ . 1 . 2]" 1
148 1 60 VAL HA 1 61 LEU MD1 4.810 . 4.810 2.818 2.682 3.071 . 0 0 "[ . 1 . 2]" 1
149 1 60 VAL HA 1 61 LEU MD2 5.200 . 5.200 3.883 3.577 4.302 . 0 0 "[ . 1 . 2]" 1
150 1 60 VAL HA 1 61 LEU HG 5.870 . 5.870 5.706 5.590 5.863 . 0 0 "[ . 1 . 2]" 1
151 1 60 VAL HB 1 61 LEU H 4.600 . 4.600 4.164 4.045 4.286 . 0 0 "[ . 1 . 2]" 1
152 1 60 VAL HB 1 61 LEU MD1 5.240 . 5.240 4.916 4.657 5.228 . 0 0 "[ . 1 . 2]" 1
153 1 60 VAL HB 1 61 LEU MD2 5.640 . 5.640 5.340 4.964 5.713 0.073 3 0 "[ . 1 . 2]" 1
154 1 60 VAL HB 1 87 ASN HB3 6.300 . 6.300 5.059 4.528 5.709 . 0 0 "[ . 1 . 2]" 1
155 1 60 VAL HB 1 126 ASN QD 5.870 . 5.870 5.198 4.849 5.688 . 0 0 "[ . 1 . 2]" 1
156 1 60 VAL MG1 1 61 LEU H 5.930 . 5.930 3.938 3.639 4.248 . 0 0 "[ . 1 . 2]" 1
157 1 60 VAL MG1 1 87 ASN HA 6.140 . 6.140 3.956 3.111 4.942 . 0 0 "[ . 1 . 2]" 1
158 1 60 VAL MG1 1 87 ASN HB3 5.340 . 5.340 2.654 2.000 3.642 . 0 0 "[ . 1 . 2]" 1
159 1 60 VAL MG1 1 87 ASN HD21 5.200 . 5.200 4.550 3.823 5.259 0.059 5 0 "[ . 1 . 2]" 1
160 1 60 VAL MG1 1 87 ASN HD22 5.340 . 5.340 4.404 3.544 5.347 0.007 1 0 "[ . 1 . 2]" 1
161 1 60 VAL MG1 1 126 ASN HD21 5.420 . 5.420 4.410 3.775 4.995 . 0 0 "[ . 1 . 2]" 1
162 1 60 VAL MG1 1 126 ASN QD 4.740 . 4.740 4.098 3.395 4.527 . 0 0 "[ . 1 . 2]" 1
163 1 60 VAL MG1 1 126 ASN HD22 5.420 . 5.420 4.975 3.735 5.675 0.255 11 0 "[ . 1 . 2]" 1
164 1 60 VAL MG2 1 61 LEU H 4.340 . 4.340 2.606 2.393 3.130 . 0 0 "[ . 1 . 2]" 1
165 1 60 VAL MG2 1 87 ASN HA 5.630 . 5.630 4.585 3.848 5.204 . 0 0 "[ . 1 . 2]" 1
166 1 60 VAL MG2 1 87 ASN HB2 4.390 . 4.390 3.434 3.051 3.923 . 0 0 "[ . 1 . 2]" 1
167 1 60 VAL MG2 1 87 ASN HB3 4.120 . 4.120 2.793 2.112 3.624 . 0 0 "[ . 1 . 2]" 1
168 1 60 VAL MG2 1 87 ASN HD21 3.990 . 3.990 3.242 2.699 3.855 . 0 0 "[ . 1 . 2]" 1
169 1 60 VAL MG2 1 87 ASN HD22 4.110 . 4.110 3.139 2.528 3.721 . 0 0 "[ . 1 . 2]" 1
170 1 61 LEU H 1 61 LEU QB 3.590 . 3.590 2.974 2.859 3.179 . 0 0 "[ . 1 . 2]" 1
171 1 61 LEU H 1 61 LEU MD1 4.630 . 4.630 1.683 1.499 2.109 . 0 0 "[ . 1 . 2]" 1
172 1 61 LEU H 1 61 LEU MD2 4.120 . 4.120 2.223 1.946 2.507 . 0 0 "[ . 1 . 2]" 1
173 1 61 LEU H 1 61 LEU HG 4.020 . 4.020 3.817 3.707 4.041 0.021 1 0 "[ . 1 . 2]" 1
174 1 61 LEU H 1 126 ASN HD21 5.390 . 5.390 3.557 2.708 4.467 . 0 0 "[ . 1 . 2]" 1
175 1 61 LEU H 1 126 ASN QD 4.660 . 4.660 3.418 2.635 4.164 . 0 0 "[ . 1 . 2]" 1
176 1 61 LEU H 1 126 ASN HD22 5.390 . 5.390 4.481 3.551 5.351 . 0 0 "[ . 1 . 2]" 1
177 1 61 LEU HA 1 61 LEU MD1 4.610 . 4.610 3.523 3.494 3.576 . 0 0 "[ . 1 . 2]" 1
178 1 61 LEU HA 1 61 LEU MD2 3.750 . 3.750 3.620 3.566 3.658 . 0 0 "[ . 1 . 2]" 1
179 1 61 LEU HA 1 126 ASN H 4.670 . 4.670 4.338 3.909 4.685 0.015 12 0 "[ . 1 . 2]" 1
180 1 61 LEU HA 1 126 ASN HD21 5.270 . 5.270 2.686 2.108 3.432 . 0 0 "[ . 1 . 2]" 1
181 1 61 LEU HA 1 126 ASN QD 4.560 . 4.560 2.657 2.097 3.344 . 0 0 "[ . 1 . 2]" 1
182 1 61 LEU HA 1 126 ASN HD22 5.270 . 5.270 4.275 3.756 4.659 . 0 0 "[ . 1 . 2]" 1
183 1 61 LEU HA 1 127 ASP H 4.450 . 4.450 3.569 3.234 3.857 . 0 0 "[ . 1 . 2]" 1
184 1 61 LEU QB 1 61 LEU MD1 3.130 . 3.130 2.282 2.246 2.310 . 0 0 "[ . 1 . 2]" 1
185 1 61 LEU MD1 1 62 PRO QG 6.300 . 6.300 5.952 5.747 6.054 . 0 0 "[ . 1 . 2]" 1
186 1 61 LEU MD1 1 126 ASN HA 6.300 . 6.300 5.903 5.329 6.307 0.007 14 0 "[ . 1 . 2]" 1
187 1 61 LEU MD1 1 126 ASN QB 5.640 . 5.640 3.740 2.998 4.172 . 0 0 "[ . 1 . 2]" 1
188 1 61 LEU MD1 1 126 ASN HD21 5.680 . 5.680 3.514 2.538 4.629 . 0 0 "[ . 1 . 2]" 1
189 1 61 LEU MD1 1 126 ASN QD 4.970 . 4.970 3.170 2.153 4.313 . 0 0 "[ . 1 . 2]" 1
190 1 61 LEU MD1 1 126 ASN HD22 5.680 . 5.680 3.744 2.289 5.465 . 0 0 "[ . 1 . 2]" 1
191 1 61 LEU MD1 1 127 ASP HA 6.300 . 6.300 6.168 5.906 6.353 0.053 8 0 "[ . 1 . 2]" 1
192 1 61 LEU MD1 1 127 ASP QB 4.830 . 4.830 3.741 3.426 4.177 . 0 0 "[ . 1 . 2]" 1
193 1 61 LEU MD2 1 62 PRO HA 5.120 . 5.120 4.400 4.197 4.558 . 0 0 "[ . 1 . 2]" 1
194 1 61 LEU MD2 1 62 PRO HB2 6.300 . 6.300 5.524 5.155 5.764 . 0 0 "[ . 1 . 2]" 1
195 1 61 LEU MD2 1 62 PRO QG 4.880 . 4.880 4.658 4.130 4.886 0.006 17 0 "[ . 1 . 2]" 1
196 1 61 LEU MD2 1 63 THR H 5.620 . 5.620 5.266 4.795 5.633 0.013 17 0 "[ . 1 . 2]" 1
197 1 61 LEU MD2 1 126 ASN QB 4.980 . 4.980 4.980 4.499 5.204 0.224 1 0 "[ . 1 . 2]" 1
198 1 61 LEU MD2 1 126 ASN QD 5.200 . 5.200 4.623 3.866 5.334 0.134 7 0 "[ . 1 . 2]" 1
199 1 61 LEU MD2 1 127 ASP H 6.010 . 6.010 5.926 5.565 6.115 0.105 2 0 "[ . 1 . 2]" 1
200 1 61 LEU MD2 1 127 ASP QB 4.370 . 4.370 4.111 3.575 4.425 0.055 5 0 "[ . 1 . 2]" 1
201 1 62 PRO HA 1 63 THR H 3.030 . 3.030 2.394 2.191 2.545 . 0 0 "[ . 1 . 2]" 1
202 1 62 PRO HA 1 87 ASN H 5.220 . 5.220 4.977 4.732 5.223 0.003 17 0 "[ . 1 . 2]" 1
203 1 62 PRO HA 1 87 ASN HA 5.030 . 5.030 4.401 4.248 4.578 . 0 0 "[ . 1 . 2]" 1
204 1 62 PRO HA 1 87 ASN HB2 4.750 . 4.750 2.095 1.731 2.479 . 0 0 "[ . 1 . 2]" 1
205 1 62 PRO HA 1 87 ASN HB3 5.370 . 5.370 3.029 2.742 3.300 . 0 0 "[ . 1 . 2]" 1
206 1 62 PRO HA 1 87 ASN HD21 4.500 . 4.500 3.810 3.140 4.363 . 0 0 "[ . 1 . 2]" 1
207 1 62 PRO HA 1 87 ASN HD22 5.730 . 5.730 5.361 4.774 5.812 0.082 20 0 "[ . 1 . 2]" 1
208 1 62 PRO HA 1 88 ALA MB 5.660 . 5.660 3.846 3.302 4.502 . 0 0 "[ . 1 . 2]" 1
209 1 62 PRO HB2 1 63 THR H 4.080 . 4.080 2.353 2.006 3.088 . 0 0 "[ . 1 . 2]" 1
210 1 62 PRO HB2 1 63 THR HB 5.610 . 5.610 5.080 4.812 5.533 . 0 0 "[ . 1 . 2]" 1
211 1 62 PRO HB2 1 63 THR MG 4.790 . 4.790 5.074 4.632 5.438 0.648 16 2 "[ . - 1 .+ 2]" 1
212 1 62 PRO HB2 1 87 ASN HB3 6.300 . 6.300 5.562 5.204 5.850 . 0 0 "[ . 1 . 2]" 1
213 1 62 PRO HB2 1 88 ALA MB 4.560 . 4.560 3.000 2.494 3.690 . 0 0 "[ . 1 . 2]" 1
214 1 62 PRO HB2 1 122 VAL HB 4.600 . 4.600 3.464 3.113 3.840 . 0 0 "[ . 1 . 2]" 1
215 1 62 PRO HB2 1 122 VAL MG2 3.850 . 3.850 1.947 1.716 2.189 . 0 0 "[ . 1 . 2]" 1
216 1 62 PRO HB2 1 123 SER H 5.580 . 5.580 4.981 4.407 5.305 . 0 0 "[ . 1 . 2]" 1
217 1 62 PRO HB2 1 123 SER HA 5.840 . 5.840 5.007 4.024 5.608 . 0 0 "[ . 1 . 2]" 1
218 1 62 PRO HB2 1 128 SER HA 5.100 . 5.100 4.759 4.542 5.092 . 0 0 "[ . 1 . 2]" 1
219 1 62 PRO HB2 1 129 ASP H 4.650 . 4.650 3.942 3.729 4.340 . 0 0 "[ . 1 . 2]" 1
220 1 62 PRO HB3 1 63 THR H 4.190 . 4.190 3.277 3.032 3.808 . 0 0 "[ . 1 . 2]" 1
221 1 62 PRO HB3 1 63 THR HB 6.300 . 6.300 6.009 5.767 6.332 0.032 6 0 "[ . 1 . 2]" 1
222 1 62 PRO HB3 1 122 VAL MG2 4.050 . 4.050 3.086 2.835 3.437 . 0 0 "[ . 1 . 2]" 1
223 1 62 PRO HB3 1 123 SER H 5.510 . 5.510 4.760 4.166 5.203 . 0 0 "[ . 1 . 2]" 1
224 1 62 PRO HB3 1 129 ASP H 5.910 . 5.910 4.953 4.684 5.486 . 0 0 "[ . 1 . 2]" 1
225 1 62 PRO QG 1 63 THR H 5.030 . 5.030 3.987 3.771 4.395 . 0 0 "[ . 1 . 2]" 1
226 1 62 PRO QG 1 88 ALA H 6.300 . 6.300 6.056 5.804 6.264 . 0 0 "[ . 1 . 2]" 1
227 1 62 PRO QG 1 123 SER HA 5.790 . 5.790 2.949 2.003 3.524 . 0 0 "[ . 1 . 2]" 1
228 1 62 PRO QG 1 127 ASP H 4.890 . 4.890 4.160 3.731 4.507 . 0 0 "[ . 1 . 2]" 1
229 1 63 THR H 1 63 THR HB 3.730 . 3.730 2.927 2.735 3.240 . 0 0 "[ . 1 . 2]" 1
230 1 63 THR H 1 63 THR MG 4.430 . 4.430 3.366 2.368 3.931 . 0 0 "[ . 1 . 2]" 1
231 1 63 THR H 1 64 ALA H 4.900 . 4.900 4.045 3.821 4.439 . 0 0 "[ . 1 . 2]" 1
232 1 63 THR H 1 64 ALA HA 5.070 . 5.070 4.531 4.350 4.982 . 0 0 "[ . 1 . 2]" 1
233 1 63 THR H 1 85 SER HA 4.790 . 4.790 4.554 4.123 4.827 0.037 17 0 "[ . 1 . 2]" 1
234 1 63 THR H 1 85 SER QB 4.290 . 4.290 4.234 3.904 4.446 0.156 7 0 "[ . 1 . 2]" 1
235 1 63 THR H 1 86 GLU H 3.930 . 3.930 3.169 2.914 3.496 . 0 0 "[ . 1 . 2]" 1
236 1 63 THR H 1 86 GLU QB 4.680 . 4.680 4.018 3.419 4.472 . 0 0 "[ . 1 . 2]" 1
237 1 63 THR H 1 87 ASN H 5.680 . 5.680 5.190 4.935 5.386 . 0 0 "[ . 1 . 2]" 1
238 1 63 THR H 1 87 ASN HA 6.300 . 6.300 5.621 5.318 5.803 . 0 0 "[ . 1 . 2]" 1
239 1 63 THR H 1 87 ASN HB2 4.220 . 4.220 3.397 2.950 3.697 . 0 0 "[ . 1 . 2]" 1
240 1 63 THR H 1 87 ASN HD21 5.520 . 5.520 4.376 3.370 4.958 . 0 0 "[ . 1 . 2]" 1
241 1 63 THR H 1 88 ALA H 5.200 . 5.200 4.933 4.618 5.246 0.046 8 0 "[ . 1 . 2]" 1
242 1 63 THR H 1 88 ALA MB 5.230 . 5.230 3.481 3.024 3.937 . 0 0 "[ . 1 . 2]" 1
243 1 63 THR H 1 122 VAL MG2 4.280 . 4.280 2.941 2.453 3.566 . 0 0 "[ . 1 . 2]" 1
244 1 63 THR HA 1 63 THR MG 3.520 . 3.520 2.698 2.186 3.262 . 0 0 "[ . 1 . 2]" 1
245 1 63 THR HA 1 64 ALA H 3.420 . 3.420 2.167 2.080 2.232 . 0 0 "[ . 1 . 2]" 1
246 1 63 THR HA 1 64 ALA MB 4.600 . 4.600 4.040 3.933 4.148 . 0 0 "[ . 1 . 2]" 1
247 1 63 THR HA 1 122 VAL MG2 6.300 . 6.300 3.831 3.532 4.133 . 0 0 "[ . 1 . 2]" 1
248 1 63 THR HA 1 129 ASP H 6.300 . 6.300 5.612 5.298 6.122 . 0 0 "[ . 1 . 2]" 1
249 1 63 THR HB 1 64 ALA H 5.260 . 5.260 4.353 4.185 4.424 . 0 0 "[ . 1 . 2]" 1
250 1 63 THR HB 1 64 ALA MB 6.270 . 6.270 5.672 5.404 5.913 . 0 0 "[ . 1 . 2]" 1
251 1 63 THR HB 1 85 SER HA 5.860 . 5.860 4.736 3.694 6.014 0.154 14 0 "[ . 1 . 2]" 1
252 1 63 THR HB 1 86 GLU H 4.530 . 4.530 3.334 2.324 4.561 0.031 14 0 "[ . 1 . 2]" 1
253 1 63 THR HB 1 86 GLU QB 4.180 . 4.180 3.033 1.655 4.126 . 0 0 "[ . 1 . 2]" 1
254 1 63 THR HB 1 86 GLU QG 5.330 . 5.330 4.697 3.457 5.516 0.186 9 0 "[ . 1 . 2]" 1
255 1 63 THR HB 1 87 ASN H 6.300 . 6.300 5.994 5.165 6.628 0.328 15 0 "[ . 1 . 2]" 1
256 1 63 THR HB 1 87 ASN HD22 5.830 . 5.830 5.256 4.319 5.878 0.048 4 0 "[ . 1 . 2]" 1
257 1 63 THR MG 1 64 ALA H 3.930 . 3.930 3.345 2.875 3.963 0.033 9 0 "[ . 1 . 2]" 1
258 1 63 THR MG 1 65 ARG QB 3.340 . 3.340 3.059 2.134 3.474 0.134 17 0 "[ . 1 . 2]" 1
259 1 63 THR MG 1 65 ARG QD 4.360 . 4.360 2.960 1.852 3.783 . 0 0 "[ . 1 . 2]" 1
260 1 63 THR MG 1 86 GLU H 4.800 . 4.800 3.001 1.745 4.067 . 0 0 "[ . 1 . 2]" 1
261 1 63 THR MG 1 86 GLU QB 4.040 . 4.040 2.923 1.814 4.040 0.000 10 0 "[ . 1 . 2]" 1
262 1 64 ALA H 1 64 ALA MB 3.500 . 3.500 2.300 2.248 2.373 . 0 0 "[ . 1 . 2]" 1
263 1 64 ALA H 1 65 ARG H 5.670 . 5.670 4.328 4.180 4.443 . 0 0 "[ . 1 . 2]" 1
264 1 64 ALA H 1 122 VAL MG2 4.830 . 4.830 3.234 2.958 3.603 . 0 0 "[ . 1 . 2]" 1
265 1 64 ALA H 1 129 ASP HB2 5.090 . 5.090 4.003 2.464 4.397 . 0 0 "[ . 1 . 2]" 1
266 1 64 ALA H 1 129 ASP QB 4.230 . 4.230 2.725 2.195 4.009 . 0 0 "[ . 1 . 2]" 1
267 1 64 ALA H 1 129 ASP HB3 5.090 . 5.090 2.811 2.465 4.749 . 0 0 "[ . 1 . 2]" 1
268 1 64 ALA H 1 130 SER H 5.710 . 5.710 4.995 4.667 5.459 . 0 0 "[ . 1 . 2]" 1
269 1 64 ALA HA 1 65 ARG H 3.230 . 3.230 2.108 2.070 2.162 . 0 0 "[ . 1 . 2]" 1
270 1 64 ALA HA 1 85 SER H 6.300 . 6.300 4.909 4.615 5.553 . 0 0 "[ . 1 . 2]" 1
271 1 64 ALA HA 1 85 SER HA 4.180 . 4.180 3.226 2.915 3.748 . 0 0 "[ . 1 . 2]" 1
272 1 64 ALA HA 1 86 GLU H 5.500 . 5.500 4.332 4.068 4.704 . 0 0 "[ . 1 . 2]" 1
273 1 64 ALA HA 1 120 LEU QD 4.780 . 4.780 3.336 2.347 4.023 . 0 0 "[ . 1 . 2]" 1
274 1 64 ALA HA 1 122 VAL MG1 5.260 . 5.260 3.172 2.536 3.496 . 0 0 "[ . 1 . 2]" 1
275 1 64 ALA HA 1 122 VAL MG2 4.020 . 4.020 2.511 2.230 2.855 . 0 0 "[ . 1 . 2]" 1
276 1 64 ALA HA 1 129 ASP H 6.300 . 6.300 6.229 5.967 6.392 0.092 7 0 "[ . 1 . 2]" 1
277 1 64 ALA MB 1 65 ARG H 3.990 . 3.990 3.272 3.044 3.408 . 0 0 "[ . 1 . 2]" 1
278 1 64 ALA MB 1 85 SER QB 5.690 . 5.690 4.289 3.733 4.975 . 0 0 "[ . 1 . 2]" 1
279 1 64 ALA MB 1 120 LEU QD 4.900 . 4.900 2.922 1.983 3.739 . 0 0 "[ . 1 . 2]" 1
280 1 64 ALA MB 1 120 LEU HG 5.270 . 5.270 3.167 2.305 4.597 . 0 0 "[ . 1 . 2]" 1
281 1 64 ALA MB 1 122 VAL H 4.990 . 4.990 2.725 2.478 3.047 . 0 0 "[ . 1 . 2]" 1
282 1 64 ALA MB 1 122 VAL MG2 3.450 . 3.450 1.994 1.713 2.315 . 0 0 "[ . 1 . 2]" 1
283 1 64 ALA MB 1 129 ASP H 4.990 . 4.990 4.232 3.891 4.445 . 0 0 "[ . 1 . 2]" 1
284 1 64 ALA MB 1 129 ASP HB2 4.670 . 4.670 4.410 2.661 4.727 0.057 11 0 "[ . 1 . 2]" 1
285 1 64 ALA MB 1 129 ASP QB 3.820 . 3.820 3.063 2.298 3.741 . 0 0 "[ . 1 . 2]" 1
286 1 64 ALA MB 1 129 ASP HB3 4.670 . 4.670 3.168 2.512 4.692 0.022 3 0 "[ . 1 . 2]" 1
287 1 64 ALA MB 1 130 SER H 4.010 . 4.010 3.735 3.497 3.918 . 0 0 "[ . 1 . 2]" 1
288 1 64 ALA MB 1 130 SER HA 4.090 . 4.090 2.446 2.195 2.660 . 0 0 "[ . 1 . 2]" 1
289 1 64 ALA MB 1 131 ALA H 3.800 . 3.800 2.446 2.225 2.693 . 0 0 "[ . 1 . 2]" 1
290 1 64 ALA MB 1 131 ALA MB 2.860 . 2.860 2.408 2.218 2.901 0.041 1 0 "[ . 1 . 2]" 1
291 1 65 ARG H 1 65 ARG QB 3.890 . 3.890 2.648 2.542 2.777 . 0 0 "[ . 1 . 2]" 1
292 1 65 ARG H 1 65 ARG HG2 5.600 . 5.600 4.251 3.321 5.077 . 0 0 "[ . 1 . 2]" 1
293 1 65 ARG H 1 65 ARG QG 4.860 . 4.860 3.594 3.056 4.383 . 0 0 "[ . 1 . 2]" 1
294 1 65 ARG H 1 65 ARG HG3 5.600 . 5.600 4.100 3.161 4.832 . 0 0 "[ . 1 . 2]" 1
295 1 65 ARG H 1 66 PHE HB3 6.280 . 6.280 4.519 4.321 4.980 . 0 0 "[ . 1 . 2]" 1
296 1 65 ARG H 1 66 PHE QD 5.240 . 5.240 4.210 3.879 5.208 . 0 0 "[ . 1 . 2]" 1
297 1 65 ARG H 1 84 PHE H 5.310 . 5.310 3.893 3.409 4.435 . 0 0 "[ . 1 . 2]" 1
298 1 65 ARG H 1 85 SER H 4.490 . 4.490 3.583 3.220 4.022 . 0 0 "[ . 1 . 2]" 1
299 1 65 ARG H 1 85 SER HA 3.700 . 3.700 2.507 2.219 2.907 . 0 0 "[ . 1 . 2]" 1
300 1 65 ARG H 1 85 SER QB 4.580 . 4.580 3.497 3.120 4.205 . 0 0 "[ . 1 . 2]" 1
301 1 65 ARG H 1 85 SER HG 4.700 . 4.700 3.320 2.212 4.546 . 0 0 "[ . 1 . 2]" 1
302 1 65 ARG H 1 120 LEU HG 4.760 . 4.760 4.165 3.557 4.715 . 0 0 "[ . 1 . 2]" 1
303 1 65 ARG H 1 122 VAL MG1 5.120 . 5.120 4.187 3.814 4.594 . 0 0 "[ . 1 . 2]" 1
304 1 65 ARG H 1 122 VAL MG2 4.970 . 4.970 4.147 3.760 4.574 . 0 0 "[ . 1 . 2]" 1
305 1 65 ARG HA 1 66 PHE H 3.210 . 3.210 2.219 2.113 2.320 . 0 0 "[ . 1 . 2]" 1
306 1 65 ARG QB 1 66 PHE H 4.270 . 4.270 3.110 2.584 3.712 . 0 0 "[ . 1 . 2]" 1
307 1 65 ARG QB 1 84 PHE H 5.110 . 5.110 3.568 2.997 4.015 . 0 0 "[ . 1 . 2]" 1
308 1 65 ARG QB 1 84 PHE QB 4.820 . 4.820 2.226 1.629 2.638 . 0 0 "[ . 1 . 2]" 1
309 1 65 ARG QB 1 84 PHE QD 5.040 . 5.040 3.394 1.603 4.314 . 0 0 "[ . 1 . 2]" 1
310 1 65 ARG QB 1 85 SER H 4.780 . 4.780 3.828 3.307 4.419 . 0 0 "[ . 1 . 2]" 1
311 1 65 ARG QB 1 85 SER HA 4.300 . 4.300 2.911 2.260 4.071 . 0 0 "[ . 1 . 2]" 1
312 1 65 ARG QB 1 86 GLU H 5.390 . 5.390 4.085 3.605 5.075 . 0 0 "[ . 1 . 2]" 1
313 1 65 ARG QB 1 86 GLU QB 5.110 . 5.110 4.605 4.062 5.142 0.032 13 0 "[ . 1 . 2]" 1
314 1 65 ARG QG 1 66 PHE H 4.650 . 4.650 3.676 2.461 4.546 . 0 0 "[ . 1 . 2]" 1
315 1 66 PHE H 1 66 PHE QD 4.250 . 4.250 2.816 2.018 3.417 . 0 0 "[ . 1 . 2]" 1
316 1 66 PHE H 1 67 THR H 5.090 . 5.090 4.310 4.185 4.397 . 0 0 "[ . 1 . 2]" 1
317 1 66 PHE H 1 67 THR HA 6.300 . 6.300 4.603 4.508 4.787 . 0 0 "[ . 1 . 2]" 1
318 1 66 PHE H 1 84 PHE H 5.840 . 5.840 4.490 3.977 5.027 . 0 0 "[ . 1 . 2]" 1
319 1 66 PHE HA 1 67 THR H 3.700 . 3.700 2.325 2.216 2.455 . 0 0 "[ . 1 . 2]" 1
320 1 66 PHE HA 1 67 THR HB 6.300 . 6.300 4.542 4.230 5.669 . 0 0 "[ . 1 . 2]" 1
321 1 66 PHE HA 1 83 ASP HA 5.170 . 5.170 2.819 1.850 4.358 . 0 0 "[ . 1 . 2]" 1
322 1 66 PHE HA 1 84 PHE H 4.080 . 4.080 2.646 1.906 3.188 . 0 0 "[ . 1 . 2]" 1
323 1 66 PHE HA 1 84 PHE QD 4.540 . 4.540 3.198 1.929 4.519 . 0 0 "[ . 1 . 2]" 1
324 1 66 PHE HA 1 85 SER H 5.800 . 5.800 4.656 4.103 5.198 . 0 0 "[ . 1 . 2]" 1
325 1 66 PHE HB2 1 67 THR HA 4.980 . 4.980 4.453 4.121 4.692 . 0 0 "[ . 1 . 2]" 1
326 1 66 PHE HB3 1 67 THR H 4.620 . 4.620 3.875 3.633 4.136 . 0 0 "[ . 1 . 2]" 1
327 1 66 PHE HB3 1 93 TRP HH2 5.090 . 5.090 3.315 2.665 4.520 . 0 0 "[ . 1 . 2]" 1
328 1 66 PHE HB3 1 118 VAL MG1 5.440 . 5.440 5.325 4.712 5.626 0.186 7 0 "[ . 1 . 2]" 1
329 1 66 PHE HB3 1 120 LEU HG 4.900 . 4.900 3.923 2.173 4.816 . 0 0 "[ . 1 . 2]" 1
330 1 66 PHE QD 1 67 THR H 4.710 . 4.710 3.774 3.394 4.166 . 0 0 "[ . 1 . 2]" 1
331 1 66 PHE QD 1 67 THR HA 6.300 . 6.300 4.071 3.236 4.584 . 0 0 "[ . 1 . 2]" 1
332 1 66 PHE QD 1 93 TRP HH2 5.110 . 5.110 3.548 2.656 5.150 0.040 15 0 "[ . 1 . 2]" 1
333 1 66 PHE QD 1 118 VAL MG1 4.230 . 4.230 3.546 3.081 4.323 0.093 9 0 "[ . 1 . 2]" 1
334 1 66 PHE QD 1 118 VAL MG2 5.390 . 5.390 5.059 4.509 5.531 0.141 9 0 "[ . 1 . 2]" 1
335 1 66 PHE QD 1 120 LEU H 5.940 . 5.940 4.290 3.790 4.776 . 0 0 "[ . 1 . 2]" 1
336 1 66 PHE QD 1 120 LEU HB2 4.940 . 4.940 3.354 2.008 3.933 . 0 0 "[ . 1 . 2]" 1
337 1 66 PHE QD 1 120 LEU QB 4.160 . 4.160 2.487 1.975 2.884 . 0 0 "[ . 1 . 2]" 1
338 1 66 PHE QD 1 120 LEU HB3 4.940 . 4.940 2.630 2.266 2.966 . 0 0 "[ . 1 . 2]" 1
339 1 66 PHE QD 1 120 LEU HG 4.680 . 4.680 3.885 2.459 4.675 . 0 0 "[ . 1 . 2]" 1
340 1 66 PHE QD 1 131 ALA MB 3.950 . 3.950 3.060 2.417 3.915 . 0 0 "[ . 1 . 2]" 1
341 1 66 PHE QD 1 132 SER HA 5.540 . 5.540 5.289 4.842 5.595 0.055 15 0 "[ . 1 . 2]" 1
342 1 66 PHE QD 1 133 VAL QG 4.820 . 4.820 3.742 3.185 4.092 . 0 0 "[ . 1 . 2]" 1
343 1 66 PHE QE 1 120 LEU H 4.440 . 4.440 3.065 2.380 3.780 . 0 0 "[ . 1 . 2]" 1
344 1 66 PHE QE 1 131 ALA H 5.450 . 5.450 4.069 3.497 4.934 . 0 0 "[ . 1 . 2]" 1
345 1 66 PHE QE 1 131 ALA MB 3.750 . 3.750 2.449 2.030 3.495 . 0 0 "[ . 1 . 2]" 1
346 1 66 PHE QE 1 132 SER H 4.630 . 4.630 3.950 3.477 4.502 . 0 0 "[ . 1 . 2]" 1
347 1 66 PHE QE 1 132 SER HA 4.690 . 4.690 3.120 2.557 3.547 . 0 0 "[ . 1 . 2]" 1
348 1 66 PHE QE 1 133 VAL H 4.190 . 4.190 3.836 3.553 4.220 0.030 13 0 "[ . 1 . 2]" 1
349 1 66 PHE QE 1 133 VAL QG 3.370 . 3.370 2.371 1.939 2.814 . 0 0 "[ . 1 . 2]" 1
350 1 67 THR H 1 67 THR HG1 5.470 . 5.470 4.348 2.138 4.841 . 0 0 "[ . 1 . 2]" 1
351 1 67 THR H 1 67 THR MG 4.570 . 4.570 2.522 2.115 3.938 . 0 0 "[ . 1 . 2]" 1
352 1 67 THR H 1 68 SER H 5.380 . 5.380 4.358 4.219 4.487 . 0 0 "[ . 1 . 2]" 1
353 1 67 THR H 1 68 SER HA 5.100 . 5.100 4.884 4.675 5.066 . 0 0 "[ . 1 . 2]" 1
354 1 67 THR H 1 82 LYS H 5.320 . 5.320 3.213 2.843 3.591 . 0 0 "[ . 1 . 2]" 1
355 1 67 THR H 1 83 ASP HA 5.800 . 5.800 4.029 3.091 5.744 . 0 0 "[ . 1 . 2]" 1
356 1 67 THR H 1 84 PHE H 5.230 . 5.230 4.619 3.911 5.081 . 0 0 "[ . 1 . 2]" 1
357 1 67 THR H 1 84 PHE QD 4.820 . 4.820 3.739 2.683 4.974 0.154 20 0 "[ . 1 . 2]" 1
358 1 67 THR HA 1 68 SER H 3.100 . 3.100 2.183 2.075 2.351 . 0 0 "[ . 1 . 2]" 1
359 1 67 THR HA 1 68 SER QB 4.760 . 4.760 4.312 3.895 4.503 . 0 0 "[ . 1 . 2]" 1
360 1 67 THR HB 1 68 SER H 4.170 . 4.170 4.019 3.303 4.185 0.015 2 0 "[ . 1 . 2]" 1
361 1 67 THR HG1 1 68 SER H 4.600 . 4.600 3.259 2.339 4.416 . 0 0 "[ . 1 . 2]" 1
362 1 67 THR MG 1 68 SER H 4.020 . 4.020 3.620 2.730 4.104 0.084 9 0 "[ . 1 . 2]" 1
363 1 67 THR MG 1 82 LYS H 4.910 . 4.910 3.423 2.297 4.945 0.035 5 0 "[ . 1 . 2]" 1
364 1 67 THR MG 1 82 LYS HB2 4.960 . 4.960 3.370 1.796 5.125 0.165 5 0 "[ . 1 . 2]" 1
365 1 67 THR MG 1 82 LYS QB 4.090 . 4.090 2.701 1.783 4.036 . 0 0 "[ . 1 . 2]" 1
366 1 67 THR MG 1 82 LYS HB3 4.960 . 4.960 3.267 1.917 5.019 0.059 2 0 "[ . 1 . 2]" 1
367 1 67 THR MG 1 84 PHE QB 6.100 . 6.100 4.473 2.904 5.954 . 0 0 "[ . 1 . 2]" 1
368 1 67 THR MG 1 84 PHE QD 4.570 . 4.570 3.505 2.464 4.595 0.025 6 0 "[ . 1 . 2]" 1
369 1 68 SER H 1 69 ASP H 5.290 . 5.290 4.502 4.385 4.583 . 0 0 "[ . 1 . 2]" 1
370 1 68 SER H 1 69 ASP HA 5.840 . 5.840 5.227 4.939 5.492 . 0 0 "[ . 1 . 2]" 1
371 1 68 SER HA 1 69 ASP H 3.540 . 3.540 2.359 2.186 2.578 . 0 0 "[ . 1 . 2]" 1
372 1 68 SER HA 1 69 ASP HA 5.340 . 5.340 4.361 4.314 4.439 . 0 0 "[ . 1 . 2]" 1
373 1 68 SER HA 1 69 ASP QB 5.050 . 5.050 4.250 4.072 4.703 . 0 0 "[ . 1 . 2]" 1
374 1 68 SER HA 1 70 ILE H 4.880 . 4.880 4.583 4.073 4.908 0.028 14 0 "[ . 1 . 2]" 1
375 1 68 SER HA 1 79 VAL MG1 4.710 . 4.710 3.734 3.041 4.753 0.043 2 0 "[ . 1 . 2]" 1
376 1 68 SER QB 1 69 ASP H 4.250 . 4.250 2.838 2.217 3.595 . 0 0 "[ . 1 . 2]" 1
377 1 68 SER QB 1 70 ILE H 4.250 . 4.250 3.345 2.526 4.222 . 0 0 "[ . 1 . 2]" 1
378 1 68 SER QB 1 79 VAL MG1 4.740 . 4.740 3.186 2.093 4.563 . 0 0 "[ . 1 . 2]" 1
379 1 68 SER HB2 1 69 ASP H 4.880 . 4.880 3.267 2.394 4.129 . 0 0 "[ . 1 . 2]" 1
380 1 68 SER HB2 1 79 VAL MG1 5.480 . 5.480 3.669 2.124 5.085 . 0 0 "[ . 1 . 2]" 1
381 1 68 SER HB3 1 69 ASP H 4.880 . 4.880 3.533 2.252 4.052 . 0 0 "[ . 1 . 2]" 1
382 1 68 SER HB3 1 79 VAL MG1 5.480 . 5.480 3.896 2.136 5.160 . 0 0 "[ . 1 . 2]" 1
383 1 69 ASP H 1 70 ILE H 3.410 . 3.410 2.734 2.415 2.872 . 0 0 "[ . 1 . 2]" 1
384 1 69 ASP H 1 70 ILE MG 5.260 . 5.260 5.168 4.908 5.283 0.023 5 0 "[ . 1 . 2]" 1
385 1 69 ASP H 1 79 VAL MG1 4.340 . 4.340 2.653 1.745 3.555 . 0 0 "[ . 1 . 2]" 1
386 1 69 ASP HA 1 70 ILE MG 5.050 . 5.050 4.532 4.242 4.774 . 0 0 "[ . 1 . 2]" 1
387 1 69 ASP QB 1 70 ILE HA 5.390 . 5.390 4.435 4.240 4.796 . 0 0 "[ . 1 . 2]" 1
388 1 69 ASP QB 1 70 ILE MG 4.750 . 4.750 3.490 3.148 3.817 . 0 0 "[ . 1 . 2]" 1
389 1 70 ILE H 1 70 ILE HB 4.180 . 4.180 3.766 3.706 3.834 . 0 0 "[ . 1 . 2]" 1
390 1 70 ILE H 1 70 ILE MD 4.070 . 4.070 3.309 2.758 3.981 . 0 0 "[ . 1 . 2]" 1
391 1 70 ILE H 1 70 ILE HG12 4.040 . 4.040 3.489 2.501 3.829 . 0 0 "[ . 1 . 2]" 1
392 1 70 ILE H 1 70 ILE QG 3.220 . 3.220 1.992 1.839 2.320 . 0 0 "[ . 1 . 2]" 1
393 1 70 ILE H 1 70 ILE HG13 4.040 . 4.040 2.023 1.846 2.745 . 0 0 "[ . 1 . 2]" 1
394 1 70 ILE H 1 70 ILE MG 3.620 . 3.620 3.144 2.836 3.443 . 0 0 "[ . 1 . 2]" 1
395 1 70 ILE H 1 71 THR H 5.530 . 5.530 4.413 4.338 4.503 . 0 0 "[ . 1 . 2]" 1
396 1 70 ILE H 1 71 THR HA 5.700 . 5.700 4.962 4.817 5.111 . 0 0 "[ . 1 . 2]" 1
397 1 70 ILE H 1 79 VAL MG1 3.950 . 3.950 2.721 1.968 3.477 . 0 0 "[ . 1 . 2]" 1
398 1 70 ILE HA 1 70 ILE MG 3.540 . 3.540 2.267 2.210 2.359 . 0 0 "[ . 1 . 2]" 1
399 1 70 ILE HA 1 71 THR H 3.400 . 3.400 2.199 2.111 2.391 . 0 0 "[ . 1 . 2]" 1
400 1 70 ILE HA 1 71 THR MG 4.670 . 4.670 4.098 3.856 4.805 0.135 19 0 "[ . 1 . 2]" 1
401 1 70 ILE HA 1 72 GLU H 4.400 . 4.400 3.533 3.293 3.984 . 0 0 "[ . 1 . 2]" 1
402 1 70 ILE HB 1 71 THR H 3.870 . 3.870 2.840 2.377 3.171 . 0 0 "[ . 1 . 2]" 1
403 1 70 ILE HB 1 72 GLU H 4.150 . 4.150 2.607 2.212 2.891 . 0 0 "[ . 1 . 2]" 1
404 1 70 ILE HB 1 72 GLU HA 6.180 . 6.180 4.413 4.022 4.962 . 0 0 "[ . 1 . 2]" 1
405 1 70 ILE MD 1 71 THR H 4.120 . 4.120 3.941 3.578 4.279 0.159 3 0 "[ . 1 . 2]" 1
406 1 70 ILE MD 1 72 GLU H 4.030 . 4.030 3.584 3.118 3.963 . 0 0 "[ . 1 . 2]" 1
407 1 70 ILE MD 1 135 ILE HB 5.850 . 5.850 4.932 4.520 5.576 . 0 0 "[ . 1 . 2]" 1
408 1 70 ILE MD 1 135 ILE MD 4.530 . 4.530 3.796 2.454 4.475 . 0 0 "[ . 1 . 2]" 1
409 1 70 ILE MD 1 135 ILE HG13 5.430 . 5.430 4.936 4.044 5.442 0.012 10 0 "[ . 1 . 2]" 1
410 1 70 ILE QG 1 70 ILE MG 3.210 . 3.210 2.075 2.056 2.237 . 0 0 "[ . 1 . 2]" 1
411 1 70 ILE QG 1 71 THR H 4.730 . 4.730 4.428 3.869 4.598 . 0 0 "[ . 1 . 2]" 1
412 1 70 ILE QG 1 72 GLU H 4.780 . 4.780 4.627 4.004 4.855 0.075 18 0 "[ . 1 . 2]" 1
413 1 70 ILE QG 1 135 ILE MG 5.070 . 5.070 3.953 2.537 4.675 . 0 0 "[ . 1 . 2]" 1
414 1 70 ILE HG12 1 71 THR H 5.480 . 5.480 5.294 4.951 5.549 0.069 12 0 "[ . 1 . 2]" 1
415 1 70 ILE HG12 1 72 GLU H 5.440 . 5.440 5.249 4.892 5.529 0.089 14 0 "[ . 1 . 2]" 1
416 1 70 ILE HG13 1 71 THR H 5.480 . 5.480 4.756 4.023 4.919 . 0 0 "[ . 1 . 2]" 1
417 1 70 ILE HG13 1 72 GLU H 5.440 . 5.440 5.169 4.156 5.540 0.100 13 0 "[ . 1 . 2]" 1
418 1 70 ILE MG 1 71 THR H 4.300 . 4.300 3.525 3.237 3.727 . 0 0 "[ . 1 . 2]" 1
419 1 70 ILE MG 1 72 GLU H 4.760 . 4.760 3.778 3.488 4.154 . 0 0 "[ . 1 . 2]" 1
420 1 71 THR H 1 71 THR MG 4.010 . 4.010 3.058 2.674 3.746 . 0 0 "[ . 1 . 2]" 1
421 1 71 THR H 1 72 GLU H 3.140 . 3.140 1.903 1.580 2.250 . 0 0 "[ . 1 . 2]" 1
422 1 71 THR H 1 72 GLU HA 5.300 . 5.300 4.632 4.364 4.945 . 0 0 "[ . 1 . 2]" 1
423 1 71 THR H 1 72 GLU QB 5.090 . 5.090 4.099 3.582 4.510 . 0 0 "[ . 1 . 2]" 1
424 1 71 THR HA 1 71 THR MG 3.660 . 3.660 2.257 2.146 2.342 . 0 0 "[ . 1 . 2]" 1
425 1 71 THR HA 1 135 ILE HA 5.230 . 5.230 3.360 2.608 4.222 . 0 0 "[ . 1 . 2]" 1
426 1 71 THR HA 1 135 ILE MD 4.080 . 4.080 2.751 1.983 3.703 . 0 0 "[ . 1 . 2]" 1
427 1 71 THR HA 1 135 ILE MG 4.560 . 4.560 3.108 2.162 4.304 . 0 0 "[ . 1 . 2]" 1
428 1 71 THR HA 1 136 ARG H 6.300 . 6.300 4.006 3.311 4.990 . 0 0 "[ . 1 . 2]" 1
429 1 71 THR HB 1 72 GLU H 4.990 . 4.990 3.842 3.483 4.175 . 0 0 "[ . 1 . 2]" 1
430 1 71 THR HB 1 72 GLU HA 5.300 . 5.300 4.874 4.493 5.160 . 0 0 "[ . 1 . 2]" 1
431 1 71 THR MG 1 72 GLU H 4.670 . 4.670 4.184 4.062 4.361 . 0 0 "[ . 1 . 2]" 1
432 1 72 GLU H 1 72 GLU QB 3.820 . 3.820 2.773 2.677 2.855 . 0 0 "[ . 1 . 2]" 1
433 1 72 GLU H 1 72 GLU HG2 5.660 . 5.660 4.664 4.521 5.066 . 0 0 "[ . 1 . 2]" 1
434 1 72 GLU H 1 72 GLU QG 4.850 . 4.850 4.201 4.153 4.297 . 0 0 "[ . 1 . 2]" 1
435 1 72 GLU H 1 72 GLU HG3 5.660 . 5.660 4.796 4.538 4.869 . 0 0 "[ . 1 . 2]" 1
436 1 72 GLU H 1 73 GLY H 4.830 . 4.830 4.204 4.055 4.345 . 0 0 "[ . 1 . 2]" 1
437 1 72 GLU HA 1 73 GLY H 3.020 . 3.020 2.239 2.104 2.410 . 0 0 "[ . 1 . 2]" 1
438 1 72 GLU HA 1 73 GLY QA 6.100 . 6.100 3.967 3.906 4.051 . 0 0 "[ . 1 . 2]" 1
439 1 72 GLU HA 1 136 ARG H 4.460 . 4.460 3.105 2.562 4.271 . 0 0 "[ . 1 . 2]" 1
440 1 72 GLU HA 1 136 ARG QB 5.030 . 5.030 2.666 1.978 3.753 . 0 0 "[ . 1 . 2]" 1
441 1 72 GLU HA 1 137 ALA HA 5.620 . 5.620 4.578 3.968 5.645 0.025 10 0 "[ . 1 . 2]" 1
442 1 72 GLU HA 1 138 LEU MD2 6.110 . 6.110 4.669 3.541 5.712 . 0 0 "[ . 1 . 2]" 1
443 1 72 GLU QG 1 73 GLY H 3.430 . 3.430 2.392 1.968 2.832 . 0 0 "[ . 1 . 2]" 1
444 1 72 GLU QG 1 138 LEU MD1 3.740 . 3.740 3.234 2.120 3.876 0.136 9 0 "[ . 1 . 2]" 1
445 1 72 GLU QG 1 138 LEU MD2 4.220 . 4.220 2.859 2.079 3.758 . 0 0 "[ . 1 . 2]" 1
446 1 72 GLU QG 1 138 LEU HG 3.620 . 3.620 3.323 2.372 3.728 0.108 7 0 "[ . 1 . 2]" 1
447 1 72 GLU HG2 1 138 LEU MD2 4.810 . 4.810 3.273 2.152 4.891 0.081 19 0 "[ . 1 . 2]" 1
448 1 72 GLU HG3 1 138 LEU MD2 4.810 . 4.810 3.299 2.631 4.076 . 0 0 "[ . 1 . 2]" 1
449 1 73 GLY H 1 74 PHE H 4.940 . 4.940 4.392 4.255 4.546 . 0 0 "[ . 1 . 2]" 1
450 1 73 GLY H 1 136 ARG QB 5.490 . 5.490 3.696 3.065 4.672 . 0 0 "[ . 1 . 2]" 1
451 1 73 GLY H 1 137 ALA HA 4.540 . 4.540 3.598 2.959 4.541 0.001 10 0 "[ . 1 . 2]" 1
452 1 73 GLY H 1 138 LEU H 4.560 . 4.560 3.595 3.080 4.237 . 0 0 "[ . 1 . 2]" 1
453 1 73 GLY H 1 138 LEU MD1 4.500 . 4.500 3.517 2.400 4.306 . 0 0 "[ . 1 . 2]" 1
454 1 73 GLY H 1 138 LEU MD2 4.950 . 4.950 3.669 3.077 4.824 . 0 0 "[ . 1 . 2]" 1
455 1 73 GLY H 1 138 LEU HG 4.440 . 4.440 2.740 2.023 3.528 . 0 0 "[ . 1 . 2]" 1
456 1 73 GLY QA 1 74 PHE QD 4.170 . 4.170 3.782 3.571 4.079 . 0 0 "[ . 1 . 2]" 1
457 1 73 GLY QA 1 138 LEU MD1 4.940 . 4.940 2.614 2.147 3.439 . 0 0 "[ . 1 . 2]" 1
458 1 73 GLY QA 1 138 LEU MD2 5.270 . 5.270 4.042 3.123 5.352 0.082 13 0 "[ . 1 . 2]" 1
459 1 73 GLY QA 1 138 LEU HG 5.300 . 5.300 3.291 2.545 4.290 . 0 0 "[ . 1 . 2]" 1
460 1 73 GLY HA2 1 74 PHE H 3.490 . 3.490 2.721 2.567 2.961 . 0 0 "[ . 1 . 2]" 1
461 1 73 GLY HA2 1 74 PHE QD 4.860 . 4.860 4.243 3.949 4.657 . 0 0 "[ . 1 . 2]" 1
462 1 73 GLY HA3 1 74 PHE H 3.490 . 3.490 2.479 2.279 2.582 . 0 0 "[ . 1 . 2]" 1
463 1 73 GLY HA3 1 74 PHE QD 4.860 . 4.860 4.273 3.957 4.758 . 0 0 "[ . 1 . 2]" 1
464 1 74 PHE H 1 74 PHE HB2 3.950 . 3.950 3.649 3.583 3.705 . 0 0 "[ . 1 . 2]" 1
465 1 74 PHE H 1 74 PHE QB 3.330 . 3.330 2.689 2.484 2.892 . 0 0 "[ . 1 . 2]" 1
466 1 74 PHE H 1 74 PHE HB3 3.950 . 3.950 2.774 2.528 3.052 . 0 0 "[ . 1 . 2]" 1
467 1 74 PHE H 1 74 PHE QD 4.070 . 4.070 2.265 1.970 2.799 . 0 0 "[ . 1 . 2]" 1
468 1 74 PHE H 1 75 ALA H 5.150 . 5.150 4.541 4.037 4.611 . 0 0 "[ . 1 . 2]" 1
469 1 74 PHE H 1 138 LEU H 6.080 . 6.080 4.444 4.034 4.948 . 0 0 "[ . 1 . 2]" 1
470 1 74 PHE HA 1 75 ALA H 3.270 . 3.270 2.270 2.117 3.212 . 0 0 "[ . 1 . 2]" 1
471 1 74 PHE HA 1 75 ALA MB 4.530 . 4.530 4.047 3.931 4.294 . 0 0 "[ . 1 . 2]" 1
472 1 74 PHE HA 1 137 ALA MB 5.380 . 5.380 3.889 3.278 4.615 . 0 0 "[ . 1 . 2]" 1
473 1 74 PHE HA 1 138 LEU H 4.240 . 4.240 2.497 1.822 3.197 . 0 0 "[ . 1 . 2]" 1
474 1 74 PHE HA 1 138 LEU HB2 5.520 . 5.520 3.654 2.016 5.373 . 0 0 "[ . 1 . 2]" 1
475 1 74 PHE HA 1 138 LEU QB 4.780 . 4.780 3.482 2.005 4.866 0.086 12 0 "[ . 1 . 2]" 1
476 1 74 PHE HA 1 138 LEU HB3 5.520 . 5.520 4.794 3.534 5.589 0.069 16 0 "[ . 1 . 2]" 1
477 1 74 PHE HA 1 138 LEU MD1 5.540 . 5.540 3.606 2.233 4.898 . 0 0 "[ . 1 . 2]" 1
478 1 74 PHE HA 1 138 LEU MD2 5.520 . 5.520 5.007 4.575 5.658 0.138 1 0 "[ . 1 . 2]" 1
479 1 74 PHE QB 1 75 ALA H 3.850 . 3.850 2.850 1.745 3.067 . 0 0 "[ . 1 . 2]" 1
480 1 74 PHE HB2 1 75 ALA H 4.620 . 4.620 2.920 1.751 3.152 . 0 0 "[ . 1 . 2]" 1
481 1 74 PHE HB3 1 75 ALA H 4.620 . 4.620 4.013 3.341 4.223 . 0 0 "[ . 1 . 2]" 1
482 1 74 PHE QD 1 75 ALA H 4.400 . 4.400 3.864 1.824 4.372 . 0 0 "[ . 1 . 2]" 1
483 1 75 ALA H 1 75 ALA MB 3.240 . 3.240 2.233 2.185 2.482 . 0 0 "[ . 1 . 2]" 1
484 1 75 ALA H 1 113 GLU HA 5.300 . 5.300 4.519 3.965 5.428 0.128 13 0 "[ . 1 . 2]" 1
485 1 75 ALA H 1 137 ALA HA 4.810 . 4.810 3.792 3.064 4.930 0.120 13 0 "[ . 1 . 2]" 1
486 1 75 ALA H 1 137 ALA MB 4.220 . 4.220 2.818 2.170 4.263 0.043 13 0 "[ . 1 . 2]" 1
487 1 75 ALA HA 1 137 ALA MB 4.740 . 4.740 2.861 1.952 4.352 . 0 0 "[ . 1 . 2]" 1
488 1 75 ALA MB 1 111 PHE HA 5.040 . 5.040 4.427 3.495 5.140 0.100 17 0 "[ . 1 . 2]" 1
489 1 75 ALA MB 1 112 ASN HA 5.200 . 5.200 4.336 3.302 4.933 . 0 0 "[ . 1 . 2]" 1
490 1 75 ALA MB 1 113 GLU H 4.880 . 4.880 4.089 3.492 4.541 . 0 0 "[ . 1 . 2]" 1
491 1 75 ALA MB 1 113 GLU HA 4.130 . 4.130 2.638 2.297 3.033 . 0 0 "[ . 1 . 2]" 1
492 1 75 ALA MB 1 113 GLU QB 4.740 . 4.740 3.403 2.136 4.296 . 0 0 "[ . 1 . 2]" 1
493 1 75 ALA MB 1 113 GLU QG 4.350 . 4.350 3.048 1.534 4.376 0.026 3 0 "[ . 1 . 2]" 1
494 1 75 ALA MB 1 114 GLY H 4.850 . 4.850 3.995 3.485 4.720 . 0 0 "[ . 1 . 2]" 1
495 1 75 ALA MB 1 137 ALA MB 3.300 . 3.300 2.017 1.738 2.573 . 0 0 "[ . 1 . 2]" 1
496 1 75 ALA MB 1 138 LEU H 4.580 . 4.580 4.494 3.663 4.754 0.174 18 0 "[ . 1 . 2]" 1
497 1 77 LEU H 1 77 LEU QD 4.250 . 4.250 3.142 1.611 4.234 . 0 0 "[ . 1 . 2]" 1
498 1 77 LEU H 1 77 LEU HG 4.750 . 4.750 3.373 1.759 4.781 0.031 10 0 "[ . 1 . 2]" 1
499 1 77 LEU H 1 78 SER H 4.970 . 4.970 3.157 2.107 4.362 . 0 0 "[ . 1 . 2]" 1
500 1 77 LEU HA 1 77 LEU QD 3.730 . 3.730 3.041 1.915 3.483 . 0 0 "[ . 1 . 2]" 1
501 1 77 LEU HA 1 78 SER H 3.630 . 3.630 3.223 2.069 3.601 . 0 0 "[ . 1 . 2]" 1
502 1 77 LEU HA 1 78 SER HB2 6.300 . 6.300 5.496 4.672 6.458 0.158 6 0 "[ . 1 . 2]" 1
503 1 77 LEU HA 1 78 SER QB 5.520 . 5.520 4.897 4.431 5.459 . 0 0 "[ . 1 . 2]" 1
504 1 77 LEU HA 1 78 SER HB3 6.300 . 6.300 5.715 4.918 6.436 0.136 17 0 "[ . 1 . 2]" 1
505 1 77 LEU HA 1 109 THR MG 4.040 . 4.040 2.559 1.444 4.084 0.044 16 0 "[ . 1 . 2]" 1
506 1 77 LEU HA 1 111 PHE HA 5.380 . 5.380 4.773 3.636 5.593 0.213 5 0 "[ . 1 . 2]" 1
507 1 77 LEU QB 1 78 SER H 5.270 . 5.270 2.614 1.509 3.766 . 0 0 "[ . 1 . 2]" 1
508 1 77 LEU QD 1 78 SER H 3.780 . 3.780 2.780 1.793 3.384 . 0 0 "[ . 1 . 2]" 1
509 1 77 LEU QD 1 78 SER HB2 4.230 . 4.230 3.399 2.187 4.321 0.091 15 0 "[ . 1 . 2]" 1
510 1 77 LEU QD 1 78 SER HB3 4.230 . 4.230 3.742 2.499 4.414 0.184 8 0 "[ . 1 . 2]" 1
511 1 77 LEU QD 1 79 VAL H 5.620 . 5.620 5.159 3.487 5.696 0.076 10 0 "[ . 1 . 2]" 1
512 1 77 LEU HG 1 78 SER H 4.810 . 4.810 3.276 1.718 4.881 0.071 11 0 "[ . 1 . 2]" 1
513 1 78 SER H 1 78 SER HB2 4.380 . 4.380 3.039 2.237 4.048 . 0 0 "[ . 1 . 2]" 1
514 1 78 SER H 1 78 SER QB 3.690 . 3.690 2.670 2.157 3.390 . 0 0 "[ . 1 . 2]" 1
515 1 78 SER H 1 78 SER HB3 4.380 . 4.380 3.139 2.472 4.027 . 0 0 "[ . 1 . 2]" 1
516 1 78 SER H 1 109 THR MG 5.740 . 5.740 3.839 1.428 5.082 . 0 0 "[ . 1 . 2]" 1
517 1 78 SER HA 1 79 VAL H 3.350 . 3.350 2.154 2.095 2.251 . 0 0 "[ . 1 . 2]" 1
518 1 78 SER HA 1 79 VAL HB 5.510 . 5.510 4.738 4.436 5.657 0.147 2 0 "[ . 1 . 2]" 1
519 1 78 SER HA 1 79 VAL MG2 5.280 . 5.280 3.757 3.515 4.012 . 0 0 "[ . 1 . 2]" 1
520 1 78 SER HA 1 109 THR MG 4.710 . 4.710 3.679 2.521 4.626 . 0 0 "[ . 1 . 2]" 1
521 1 78 SER HA 1 110 PHE H 5.180 . 5.180 4.106 2.209 5.192 0.012 1 0 "[ . 1 . 2]" 1
522 1 78 SER QB 1 79 VAL H 4.410 . 4.410 3.656 2.789 4.016 . 0 0 "[ . 1 . 2]" 1
523 1 78 SER HB2 1 79 VAL H 5.020 . 5.020 4.189 2.852 4.561 . 0 0 "[ . 1 . 2]" 1
524 1 78 SER HB2 1 109 THR HA 6.300 . 6.300 5.271 3.128 6.352 0.052 3 0 "[ . 1 . 2]" 1
525 1 78 SER HB3 1 79 VAL H 5.020 . 5.020 4.135 3.425 4.460 . 0 0 "[ . 1 . 2]" 1
526 1 78 SER HB3 1 109 THR HA 6.300 . 6.300 5.333 3.193 6.415 0.115 4 0 "[ . 1 . 2]" 1
527 1 79 VAL H 1 79 VAL HB 4.230 . 4.230 2.643 2.349 3.614 . 0 0 "[ . 1 . 2]" 1
528 1 79 VAL H 1 79 VAL MG2 4.230 . 4.230 2.297 1.849 2.898 . 0 0 "[ . 1 . 2]" 1
529 1 79 VAL H 1 109 THR HA 4.820 . 4.820 4.035 2.936 4.970 0.150 5 0 "[ . 1 . 2]" 1
530 1 79 VAL HA 1 110 PHE QE 6.220 . 6.220 5.379 4.383 6.287 0.067 11 0 "[ . 1 . 2]" 1
531 1 79 VAL HB 1 110 PHE QE 4.590 . 4.590 3.095 2.324 4.444 . 0 0 "[ . 1 . 2]" 1
532 1 79 VAL HB 1 110 PHE HZ 5.210 . 5.210 4.410 3.159 5.339 0.129 12 0 "[ . 1 . 2]" 1
533 1 79 VAL MG1 1 110 PHE QE 4.710 . 4.710 3.439 2.296 4.136 . 0 0 "[ . 1 . 2]" 1
534 1 79 VAL MG1 1 110 PHE HZ 5.210 . 5.210 4.500 3.669 5.246 0.036 9 0 "[ . 1 . 2]" 1
535 1 79 VAL MG2 1 109 THR HA 5.590 . 5.590 4.492 3.159 5.652 0.062 16 0 "[ . 1 . 2]" 1
536 1 79 VAL MG2 1 109 THR MG 5.350 . 5.350 5.086 4.487 5.626 0.276 5 0 "[ . 1 . 2]" 1
537 1 79 VAL MG2 1 110 PHE QE 4.420 . 4.420 2.622 1.910 3.629 . 0 0 "[ . 1 . 2]" 1
538 1 79 VAL MG2 1 118 VAL MG2 6.290 . 6.290 5.134 4.216 6.079 . 0 0 "[ . 1 . 2]" 1
539 1 82 LYS H 1 82 LYS HB2 4.340 . 4.340 2.967 2.520 3.877 . 0 0 "[ . 1 . 2]" 1
540 1 82 LYS H 1 82 LYS HB3 4.340 . 4.340 3.163 2.370 3.821 . 0 0 "[ . 1 . 2]" 1
541 1 82 LYS HA 1 93 TRP HZ2 5.460 . 5.460 4.777 2.821 5.524 0.064 18 0 "[ . 1 . 2]" 1
542 1 82 LYS QB 1 84 PHE QD 4.880 . 4.880 4.110 3.231 5.042 0.162 20 0 "[ . 1 . 2]" 1
543 1 83 ASP H 1 84 PHE HA 5.870 . 5.870 5.227 4.903 5.359 . 0 0 "[ . 1 . 2]" 1
544 1 83 ASP H 1 93 TRP HZ2 4.410 . 4.410 3.910 2.886 4.478 0.068 10 0 "[ . 1 . 2]" 1
545 1 83 ASP HA 1 84 PHE H 3.580 . 3.580 2.153 2.046 2.238 . 0 0 "[ . 1 . 2]" 1
546 1 83 ASP HA 1 85 SER H 4.790 . 4.790 3.601 3.264 3.871 . 0 0 "[ . 1 . 2]" 1
547 1 83 ASP HA 1 93 TRP HH2 4.690 . 4.690 3.911 3.099 4.700 0.010 13 0 "[ . 1 . 2]" 1
548 1 83 ASP HA 1 93 TRP HZ2 4.920 . 4.920 3.908 2.767 4.954 0.034 15 0 "[ . 1 . 2]" 1
549 1 83 ASP QB 1 93 TRP HZ2 4.830 . 4.830 2.529 1.487 4.209 . 0 0 "[ . 1 . 2]" 1
550 1 83 ASP HB2 1 93 TRP HZ2 5.510 . 5.510 3.506 1.686 4.867 . 0 0 "[ . 1 . 2]" 1
551 1 83 ASP HB3 1 93 TRP HZ2 5.510 . 5.510 2.995 1.490 4.672 . 0 0 "[ . 1 . 2]" 1
552 1 84 PHE H 1 84 PHE QD 5.660 . 5.660 3.678 3.013 4.364 . 0 0 "[ . 1 . 2]" 1
553 1 84 PHE H 1 85 SER H 3.650 . 3.650 2.120 1.839 2.378 . 0 0 "[ . 1 . 2]" 1
554 1 84 PHE H 1 85 SER QB 5.030 . 5.030 4.312 4.001 4.687 . 0 0 "[ . 1 . 2]" 1
555 1 84 PHE H 1 85 SER HG 4.780 . 4.780 3.794 2.966 4.456 . 0 0 "[ . 1 . 2]" 1
556 1 84 PHE H 1 120 LEU HG 5.490 . 5.490 5.389 4.150 5.760 0.270 5 0 "[ . 1 . 2]" 1
557 1 84 PHE QB 1 85 SER HA 4.980 . 4.980 4.313 4.159 4.501 . 0 0 "[ . 1 . 2]" 1
558 1 85 SER H 1 85 SER QB 3.790 . 3.790 2.510 2.363 2.653 . 0 0 "[ . 1 . 2]" 1
559 1 85 SER H 1 85 SER HG 3.780 . 3.780 2.605 2.141 3.307 . 0 0 "[ . 1 . 2]" 1
560 1 85 SER H 1 86 GLU H 4.890 . 4.890 4.541 4.418 4.612 . 0 0 "[ . 1 . 2]" 1
561 1 85 SER H 1 120 LEU QD 5.430 . 5.430 3.566 3.127 4.131 . 0 0 "[ . 1 . 2]" 1
562 1 85 SER H 1 120 LEU HG 5.370 . 5.370 5.315 4.628 5.549 0.179 12 0 "[ . 1 . 2]" 1
563 1 85 SER H 1 122 VAL MG1 5.840 . 5.840 4.515 4.326 4.775 . 0 0 "[ . 1 . 2]" 1
564 1 85 SER HA 1 86 GLU H 3.280 . 3.280 2.135 2.048 2.229 . 0 0 "[ . 1 . 2]" 1
565 1 85 SER HA 1 86 GLU QB 4.890 . 4.890 4.012 3.797 4.403 . 0 0 "[ . 1 . 2]" 1
566 1 85 SER HA 1 120 LEU QD 6.300 . 6.300 4.245 3.682 4.592 . 0 0 "[ . 1 . 2]" 1
567 1 85 SER HA 1 120 LEU HG 5.840 . 5.840 5.687 5.142 6.030 0.190 16 0 "[ . 1 . 2]" 1
568 1 85 SER HA 1 122 VAL MG1 5.810 . 5.810 4.003 3.218 4.408 . 0 0 "[ . 1 . 2]" 1
569 1 85 SER QB 1 86 GLU H 5.040 . 5.040 3.064 2.741 3.306 . 0 0 "[ . 1 . 2]" 1
570 1 85 SER QB 1 86 GLU QG 6.070 . 6.070 5.590 4.600 6.146 0.076 1 0 "[ . 1 . 2]" 1
571 1 85 SER QB 1 88 ALA H 5.430 . 5.430 4.740 4.420 5.331 . 0 0 "[ . 1 . 2]" 1
572 1 85 SER QB 1 88 ALA MB 4.740 . 4.740 2.796 2.533 3.373 . 0 0 "[ . 1 . 2]" 1
573 1 85 SER QB 1 122 VAL MG1 4.740 . 4.740 1.925 1.594 2.199 . 0 0 "[ . 1 . 2]" 1
574 1 85 SER QB 1 122 VAL MG2 5.080 . 5.080 2.664 2.159 3.401 . 0 0 "[ . 1 . 2]" 1
575 1 85 SER HG 1 86 GLU H 5.400 . 5.400 5.140 4.526 5.376 . 0 0 "[ . 1 . 2]" 1
576 1 85 SER HG 1 120 LEU HG 4.770 . 4.770 3.394 2.742 4.301 . 0 0 "[ . 1 . 2]" 1
577 1 86 GLU H 1 86 GLU QB 3.810 . 3.810 2.494 2.322 2.648 . 0 0 "[ . 1 . 2]" 1
578 1 86 GLU H 1 86 GLU QG 4.630 . 4.630 3.758 2.495 4.242 . 0 0 "[ . 1 . 2]" 1
579 1 86 GLU H 1 87 ASN H 5.470 . 5.470 4.416 4.345 4.487 . 0 0 "[ . 1 . 2]" 1
580 1 86 GLU H 1 88 ALA H 5.400 . 5.400 4.933 4.559 5.216 . 0 0 "[ . 1 . 2]" 1
581 1 86 GLU HA 1 87 ASN H 3.230 . 3.230 2.260 2.199 2.411 . 0 0 "[ . 1 . 2]" 1
582 1 86 GLU HA 1 87 ASN HD21 5.480 . 5.480 5.163 4.376 5.539 0.059 16 0 "[ . 1 . 2]" 1
583 1 86 GLU HA 1 88 ALA H 4.190 . 4.190 3.682 3.370 3.932 . 0 0 "[ . 1 . 2]" 1
584 1 86 GLU HA 1 88 ALA MB 5.470 . 5.470 4.241 3.841 4.512 . 0 0 "[ . 1 . 2]" 1
585 1 86 GLU QB 1 87 ASN H 4.090 . 4.090 3.299 2.327 3.705 . 0 0 "[ . 1 . 2]" 1
586 1 86 GLU QB 1 87 ASN HD21 4.480 . 4.480 3.239 2.232 3.907 . 0 0 "[ . 1 . 2]" 1
587 1 86 GLU QB 1 88 ALA H 6.100 . 6.100 5.025 4.535 5.313 . 0 0 "[ . 1 . 2]" 1
588 1 86 GLU HB2 1 87 ASN HD21 5.190 . 5.190 4.535 2.717 5.316 0.126 1 0 "[ . 1 . 2]" 1
589 1 86 GLU HB2 1 87 ASN HD22 5.630 . 5.630 4.916 3.554 5.624 . 0 0 "[ . 1 . 2]" 1
590 1 86 GLU HB3 1 87 ASN HD21 5.190 . 5.190 3.413 2.244 4.132 . 0 0 "[ . 1 . 2]" 1
591 1 86 GLU HB3 1 87 ASN HD22 5.630 . 5.630 3.891 3.164 4.774 . 0 0 "[ . 1 . 2]" 1
592 1 86 GLU QG 1 87 ASN H 4.570 . 4.570 2.965 2.177 4.391 . 0 0 "[ . 1 . 2]" 1
593 1 86 GLU QG 1 87 ASN HD21 5.040 . 5.040 3.568 2.594 5.171 0.131 9 0 "[ . 1 . 2]" 1
594 1 86 GLU QG 1 87 ASN HD22 5.530 . 5.530 3.447 2.518 5.334 . 0 0 "[ . 1 . 2]" 1
595 1 87 ASN H 1 88 ALA H 3.630 . 3.630 2.664 2.563 2.769 . 0 0 "[ . 1 . 2]" 1
596 1 87 ASN H 1 88 ALA HA 5.860 . 5.860 5.259 5.187 5.327 . 0 0 "[ . 1 . 2]" 1
597 1 87 ASN H 1 88 ALA MB 4.980 . 4.980 4.272 4.169 4.362 . 0 0 "[ . 1 . 2]" 1
598 1 87 ASN HA 1 87 ASN HD21 4.610 . 4.610 4.278 3.912 4.451 . 0 0 "[ . 1 . 2]" 1
599 1 87 ASN HA 1 87 ASN HD22 5.570 . 5.570 4.592 4.322 4.741 . 0 0 "[ . 1 . 2]" 1
600 1 87 ASN HA 1 88 ALA H 3.330 . 3.330 2.838 2.715 2.939 . 0 0 "[ . 1 . 2]" 1
601 1 87 ASN HB2 1 87 ASN HD22 3.900 . 3.900 3.450 3.428 3.476 . 0 0 "[ . 1 . 2]" 1
602 1 87 ASN HB2 1 88 ALA H 5.000 . 5.000 4.206 4.056 4.292 . 0 0 "[ . 1 . 2]" 1
603 1 87 ASN HB3 1 87 ASN HD22 4.230 . 4.230 3.916 3.826 4.042 . 0 0 "[ . 1 . 2]" 1
604 1 88 ALA H 1 88 ALA MB 3.070 . 3.070 2.407 2.324 2.490 . 0 0 "[ . 1 . 2]" 1
605 1 88 ALA H 1 89 THR H 4.840 . 4.840 4.437 4.408 4.475 . 0 0 "[ . 1 . 2]" 1
606 1 88 ALA H 1 90 SER H 6.210 . 6.210 5.979 5.638 6.257 0.047 19 0 "[ . 1 . 2]" 1
607 1 88 ALA HA 1 122 VAL MG1 6.300 . 6.300 4.795 4.443 5.275 . 0 0 "[ . 1 . 2]" 1
608 1 88 ALA HA 1 123 SER H 5.180 . 5.180 4.470 3.908 5.072 . 0 0 "[ . 1 . 2]" 1
609 1 88 ALA MB 1 89 THR H 4.040 . 4.040 2.837 2.652 2.979 . 0 0 "[ . 1 . 2]" 1
610 1 88 ALA MB 1 89 THR HB 5.410 . 5.410 4.887 4.516 5.532 0.122 12 0 "[ . 1 . 2]" 1
611 1 88 ALA MB 1 90 SER H 3.870 . 3.870 3.142 2.758 3.453 . 0 0 "[ . 1 . 2]" 1
612 1 88 ALA MB 1 90 SER HA 6.070 . 6.070 4.485 4.148 4.803 . 0 0 "[ . 1 . 2]" 1
613 1 88 ALA MB 1 91 ARG HA 4.880 . 4.880 4.199 3.923 4.751 . 0 0 "[ . 1 . 2]" 1
614 1 88 ALA MB 1 122 VAL HA 5.150 . 5.150 3.909 3.703 4.156 . 0 0 "[ . 1 . 2]" 1
615 1 88 ALA MB 1 122 VAL HB 3.710 . 3.710 2.010 1.858 2.188 . 0 0 "[ . 1 . 2]" 1
616 1 88 ALA MB 1 122 VAL MG1 3.810 . 3.810 2.565 2.385 2.866 . 0 0 "[ . 1 . 2]" 1
617 1 88 ALA MB 1 122 VAL MG2 4.020 . 4.020 2.531 2.370 2.756 . 0 0 "[ . 1 . 2]" 1
618 1 88 ALA MB 1 123 SER H 4.010 . 4.010 3.163 2.814 3.662 . 0 0 "[ . 1 . 2]" 1
619 1 89 THR H 1 89 THR MG 4.270 . 4.270 3.446 2.016 3.828 . 0 0 "[ . 1 . 2]" 1
620 1 89 THR H 1 90 SER H 3.170 . 3.170 2.349 2.020 2.554 . 0 0 "[ . 1 . 2]" 1
621 1 89 THR H 1 90 SER HA 6.000 . 6.000 4.929 4.770 5.038 . 0 0 "[ . 1 . 2]" 1
622 1 89 THR H 1 124 ASN HA 4.420 . 4.420 3.057 2.517 3.687 . 0 0 "[ . 1 . 2]" 1
623 1 89 THR H 1 124 ASN QB 4.950 . 4.950 3.186 2.711 3.845 . 0 0 "[ . 1 . 2]" 1
624 1 89 THR HA 1 89 THR MG 3.400 . 3.400 2.472 2.208 3.240 . 0 0 "[ . 1 . 2]" 1
625 1 89 THR HB 1 90 SER H 4.440 . 4.440 2.801 2.306 4.310 . 0 0 "[ . 1 . 2]" 1
626 1 89 THR MG 1 90 SER H 4.300 . 4.300 3.476 2.394 4.180 . 0 0 "[ . 1 . 2]" 1
627 1 90 SER H 1 91 ARG HA 5.470 . 5.470 4.772 4.635 4.901 . 0 0 "[ . 1 . 2]" 1
628 1 90 SER H 1 122 VAL HA 6.060 . 6.060 4.825 4.608 5.077 . 0 0 "[ . 1 . 2]" 1
629 1 90 SER H 1 123 SER H 4.040 . 4.040 2.963 2.734 3.213 . 0 0 "[ . 1 . 2]" 1
630 1 90 SER H 1 124 ASN HA 4.920 . 4.920 4.207 3.847 4.704 . 0 0 "[ . 1 . 2]" 1
631 1 90 SER H 1 124 ASN QB 5.620 . 5.620 4.878 4.232 5.572 . 0 0 "[ . 1 . 2]" 1
632 1 90 SER HA 1 91 ARG H 3.060 . 3.060 2.312 2.227 2.414 . 0 0 "[ . 1 . 2]" 1
633 1 90 SER QB 1 91 ARG H 3.350 . 3.350 2.721 2.459 3.446 0.096 9 0 "[ . 1 . 2]" 1
634 1 90 SER QB 1 123 SER H 5.010 . 5.010 3.700 3.077 4.866 . 0 0 "[ . 1 . 2]" 1
635 1 91 ARG H 1 91 ARG HG2 4.500 . 4.500 2.616 2.025 4.306 . 0 0 "[ . 1 . 2]" 1
636 1 91 ARG H 1 91 ARG QG 3.830 . 3.830 2.341 2.000 3.341 . 0 0 "[ . 1 . 2]" 1
637 1 91 ARG H 1 91 ARG HG3 4.500 . 4.500 3.110 2.057 4.158 . 0 0 "[ . 1 . 2]" 1
638 1 91 ARG HA 1 92 LEU H 3.110 . 3.110 2.280 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
639 1 91 ARG HA 1 92 LEU QD 6.220 . 6.220 5.015 4.419 5.303 . 0 0 "[ . 1 . 2]" 1
640 1 91 ARG HA 1 120 LEU QD 4.660 . 4.660 3.679 3.171 4.366 . 0 0 "[ . 1 . 2]" 1
641 1 91 ARG HA 1 122 VAL MG1 4.050 . 4.050 2.113 1.733 2.627 . 0 0 "[ . 1 . 2]" 1
642 1 91 ARG HA 1 123 SER H 4.530 . 4.530 3.645 3.161 4.259 . 0 0 "[ . 1 . 2]" 1
643 1 91 ARG HB2 1 92 LEU H 5.110 . 5.110 2.743 2.395 3.738 . 0 0 "[ . 1 . 2]" 1
644 1 91 ARG HB2 1 93 TRP HD1 5.950 . 5.950 4.952 4.027 5.971 0.021 1 0 "[ . 1 . 2]" 1
645 1 91 ARG HB2 1 120 LEU QD 4.550 . 4.550 2.513 1.952 3.724 . 0 0 "[ . 1 . 2]" 1
646 1 91 ARG HB3 1 120 LEU QD 4.010 . 4.010 3.404 2.326 4.013 0.003 10 0 "[ . 1 . 2]" 1
647 1 91 ARG HB3 1 122 VAL MG1 4.950 . 4.950 2.379 1.963 3.379 . 0 0 "[ . 1 . 2]" 1
648 1 91 ARG QD 1 93 TRP HE1 4.220 . 4.220 3.084 2.193 4.297 0.077 16 0 "[ . 1 . 2]" 1
649 1 91 ARG QG 1 92 LEU H 4.750 . 4.750 3.851 3.447 4.233 . 0 0 "[ . 1 . 2]" 1
650 1 91 ARG QG 1 93 TRP HD1 4.960 . 4.960 4.019 3.427 4.992 0.032 2 0 "[ . 1 . 2]" 1
651 1 91 ARG QG 1 122 VAL MG1 5.620 . 5.620 3.891 2.319 4.320 . 0 0 "[ . 1 . 2]" 1
652 1 92 LEU H 1 92 LEU HB2 4.030 . 4.030 2.991 2.583 3.296 . 0 0 "[ . 1 . 2]" 1
653 1 92 LEU H 1 92 LEU QB 3.460 . 3.460 2.589 2.363 2.783 . 0 0 "[ . 1 . 2]" 1
654 1 92 LEU H 1 92 LEU HB3 4.030 . 4.030 2.892 2.528 3.709 . 0 0 "[ . 1 . 2]" 1
655 1 92 LEU H 1 93 TRP H 4.840 . 4.840 4.058 3.899 4.317 . 0 0 "[ . 1 . 2]" 1
656 1 92 LEU H 1 93 TRP HA 5.460 . 5.460 4.589 4.417 4.805 . 0 0 "[ . 1 . 2]" 1
657 1 92 LEU H 1 120 LEU HA 5.730 . 5.730 4.679 4.357 5.560 . 0 0 "[ . 1 . 2]" 1
658 1 92 LEU H 1 120 LEU QD 4.050 . 4.050 2.843 2.349 3.735 . 0 0 "[ . 1 . 2]" 1
659 1 92 LEU H 1 121 ILE H 4.150 . 4.150 3.359 3.138 3.805 . 0 0 "[ . 1 . 2]" 1
660 1 92 LEU H 1 121 ILE MG 4.180 . 4.180 3.476 3.149 3.893 . 0 0 "[ . 1 . 2]" 1
661 1 92 LEU H 1 122 VAL MG1 4.610 . 4.610 3.284 3.016 3.628 . 0 0 "[ . 1 . 2]" 1
662 1 92 LEU HA 1 92 LEU QD 4.260 . 4.260 2.492 1.829 2.993 . 0 0 "[ . 1 . 2]" 1
663 1 92 LEU HA 1 93 TRP H 3.480 . 3.480 2.163 2.120 2.201 . 0 0 "[ . 1 . 2]" 1
664 1 92 LEU HA 1 93 TRP QB 5.030 . 5.030 4.337 4.227 4.432 . 0 0 "[ . 1 . 2]" 1
665 1 92 LEU HA 1 101 SER H 5.400 . 5.400 4.141 3.391 5.363 . 0 0 "[ . 1 . 2]" 1
666 1 92 LEU QD 1 93 TRP H 3.980 . 3.980 2.951 2.503 3.526 . 0 0 "[ . 1 . 2]" 1
667 1 92 LEU QD 1 94 MET QG 3.730 . 3.730 2.580 1.871 3.789 0.059 17 0 "[ . 1 . 2]" 1
668 1 92 LEU QD 1 100 THR MG 3.970 . 3.970 3.079 2.257 3.967 . 0 0 "[ . 1 . 2]" 1
669 1 92 LEU QD 1 101 SER H 3.840 . 3.840 2.747 2.113 3.766 . 0 0 "[ . 1 . 2]" 1
670 1 92 LEU MD1 1 94 MET QG 4.980 . 4.980 3.917 2.159 5.058 0.078 13 0 "[ . 1 . 2]" 1
671 1 92 LEU MD2 1 94 MET QG 4.980 . 4.980 2.777 1.880 4.633 . 0 0 "[ . 1 . 2]" 1
672 1 92 LEU HG 1 93 TRP H 5.190 . 5.190 3.756 3.232 5.070 . 0 0 "[ . 1 . 2]" 1
673 1 92 LEU HG 1 101 SER H 5.120 . 5.120 3.854 2.763 5.265 0.145 17 0 "[ . 1 . 2]" 1
674 1 93 TRP H 1 93 TRP HD1 4.620 . 4.620 3.227 2.823 3.551 . 0 0 "[ . 1 . 2]" 1
675 1 93 TRP H 1 94 MET H 4.700 . 4.700 4.350 4.255 4.498 . 0 0 "[ . 1 . 2]" 1
676 1 93 TRP H 1 100 THR HA 6.160 . 6.160 5.281 4.562 6.333 0.173 20 0 "[ . 1 . 2]" 1
677 1 93 TRP H 1 101 SER H 4.020 . 4.020 3.192 2.337 4.025 0.005 11 0 "[ . 1 . 2]" 1
678 1 93 TRP H 1 121 ILE MG 5.390 . 5.390 4.899 4.535 5.088 . 0 0 "[ . 1 . 2]" 1
679 1 93 TRP HA 1 94 MET H 3.380 . 3.380 2.114 2.070 2.151 . 0 0 "[ . 1 . 2]" 1
680 1 93 TRP HA 1 120 LEU QD 5.420 . 5.420 3.159 2.704 4.040 . 0 0 "[ . 1 . 2]" 1
681 1 93 TRP QB 1 100 THR HA 5.900 . 5.900 4.758 3.860 5.597 . 0 0 "[ . 1 . 2]" 1
682 1 93 TRP QB 1 101 SER H 4.410 . 4.410 3.619 2.277 4.558 0.148 17 0 "[ . 1 . 2]" 1
683 1 93 TRP HH2 1 120 LEU HG 5.860 . 5.860 5.061 3.406 5.861 0.001 11 0 "[ . 1 . 2]" 1
684 1 94 MET H 1 94 MET HB2 4.290 . 4.290 2.767 2.305 3.804 . 0 0 "[ . 1 . 2]" 1
685 1 94 MET H 1 94 MET QB 3.600 . 3.600 2.584 2.279 3.157 . 0 0 "[ . 1 . 2]" 1
686 1 94 MET H 1 94 MET HB3 4.290 . 4.290 3.553 2.697 3.792 . 0 0 "[ . 1 . 2]" 1
687 1 94 MET H 1 94 MET QG 3.970 . 3.970 2.816 2.137 4.045 0.075 20 0 "[ . 1 . 2]" 1
688 1 94 MET H 1 95 PHE H 5.050 . 5.050 4.059 3.787 4.278 . 0 0 "[ . 1 . 2]" 1
689 1 94 MET H 1 95 PHE HA 5.460 . 5.460 4.889 4.717 5.132 . 0 0 "[ . 1 . 2]" 1
690 1 94 MET H 1 120 LEU QD 6.000 . 6.000 4.360 3.874 5.011 . 0 0 "[ . 1 . 2]" 1
691 1 94 MET H 1 121 ILE H 5.100 . 5.100 4.235 3.756 4.703 . 0 0 "[ . 1 . 2]" 1
692 1 94 MET H 1 121 ILE MG 4.560 . 4.560 3.856 3.156 4.368 . 0 0 "[ . 1 . 2]" 1
693 1 94 MET HA 1 95 PHE H 3.190 . 3.190 2.155 2.033 2.266 . 0 0 "[ . 1 . 2]" 1
694 1 94 MET HA 1 96 GLY H 4.740 . 4.740 3.373 3.129 3.736 . 0 0 "[ . 1 . 2]" 1
695 1 94 MET HA 1 100 THR HA 5.130 . 5.130 3.948 3.026 4.852 . 0 0 "[ . 1 . 2]" 1
696 1 94 MET HA 1 100 THR MG 3.850 . 3.850 2.258 1.839 2.965 . 0 0 "[ . 1 . 2]" 1
697 1 94 MET QB 1 95 PHE H 4.400 . 4.400 3.599 3.221 3.958 . 0 0 "[ . 1 . 2]" 1
698 1 94 MET QB 1 96 GLY H 4.500 . 4.500 3.684 2.978 4.517 0.017 20 0 "[ . 1 . 2]" 1
699 1 94 MET QB 1 100 THR MG 4.530 . 4.530 3.144 1.764 3.944 . 0 0 "[ . 1 . 2]" 1
700 1 94 MET HB2 1 95 PHE H 5.280 . 5.280 4.293 3.370 4.559 . 0 0 "[ . 1 . 2]" 1
701 1 94 MET HB2 1 96 GLY H 5.280 . 5.280 4.787 3.029 5.352 0.072 12 0 "[ . 1 . 2]" 1
702 1 94 MET HB3 1 95 PHE H 5.280 . 5.280 3.944 3.536 4.365 . 0 0 "[ . 1 . 2]" 1
703 1 94 MET HB3 1 96 GLY H 5.280 . 5.280 4.051 3.454 5.011 . 0 0 "[ . 1 . 2]" 1
704 1 94 MET QG 1 95 PHE H 4.630 . 4.630 4.360 3.551 4.729 0.099 14 0 "[ . 1 . 2]" 1
705 1 94 MET QG 1 100 THR MG 3.620 . 3.620 2.911 1.968 3.880 0.260 15 0 "[ . 1 . 2]" 1
706 1 95 PHE H 1 95 PHE QD 4.630 . 4.630 3.276 2.327 4.242 . 0 0 "[ . 1 . 2]" 1
707 1 95 PHE H 1 96 GLY H 4.060 . 4.060 2.275 2.099 2.432 . 0 0 "[ . 1 . 2]" 1
708 1 95 PHE H 1 96 GLY QA 4.420 . 4.420 4.210 4.080 4.390 . 0 0 "[ . 1 . 2]" 1
709 1 95 PHE H 1 97 ASP H 5.080 . 5.080 3.917 3.306 4.780 . 0 0 "[ . 1 . 2]" 1
710 1 95 PHE H 1 100 THR HA 4.840 . 4.840 4.299 3.469 5.025 0.185 18 0 "[ . 1 . 2]" 1
711 1 95 PHE H 1 100 THR MG 4.280 . 4.280 3.010 1.665 4.321 0.041 8 0 "[ . 1 . 2]" 1
712 1 95 PHE QB 1 97 ASP H 6.210 . 6.210 2.760 2.173 4.709 . 0 0 "[ . 1 . 2]" 1
713 1 96 GLY H 1 97 ASP H 3.790 . 3.790 2.489 2.182 2.910 . 0 0 "[ . 1 . 2]" 1
714 1 96 GLY H 1 100 THR MG 5.330 . 5.330 3.289 2.170 4.443 . 0 0 "[ . 1 . 2]" 1
715 1 96 GLY QA 1 97 ASP HA 5.160 . 5.160 4.025 3.995 4.052 . 0 0 "[ . 1 . 2]" 1
716 1 97 ASP QB 1 98 GLY QA 4.650 . 4.650 4.082 3.805 4.478 . 0 0 "[ . 1 . 2]" 1
717 1 99 ASN H 1 99 ASN HB2 4.370 . 4.370 2.844 2.297 3.988 . 0 0 "[ . 1 . 2]" 1
718 1 99 ASN H 1 99 ASN QB 3.720 . 3.720 2.521 2.271 3.103 . 0 0 "[ . 1 . 2]" 1
719 1 99 ASN H 1 99 ASN HB3 4.370 . 4.370 3.359 2.494 3.720 . 0 0 "[ . 1 . 2]" 1
720 1 99 ASN H 1 99 ASN HD21 5.280 . 5.280 3.705 2.282 4.783 . 0 0 "[ . 1 . 2]" 1
721 1 99 ASN H 1 99 ASN QD 4.400 . 4.400 3.475 2.251 4.352 . 0 0 "[ . 1 . 2]" 1
722 1 99 ASN H 1 99 ASN HD22 5.280 . 5.280 4.393 3.275 5.664 0.384 12 0 "[ . 1 . 2]" 1
723 1 99 ASN H 1 100 THR H 5.040 . 5.040 4.461 4.303 4.606 . 0 0 "[ . 1 . 2]" 1
724 1 99 ASN HA 1 100 THR H 3.400 . 3.400 2.247 2.055 2.833 . 0 0 "[ . 1 . 2]" 1
725 1 99 ASN HA 1 100 THR MG 4.570 . 4.570 3.859 3.493 4.190 . 0 0 "[ . 1 . 2]" 1
726 1 99 ASN QB 1 100 THR H 3.750 . 3.750 2.860 1.689 3.817 0.067 12 0 "[ . 1 . 2]" 1
727 1 99 ASN QB 1 100 THR MG 5.710 . 5.710 4.740 4.290 5.192 . 0 0 "[ . 1 . 2]" 1
728 1 99 ASN HB2 1 100 THR H 4.650 . 4.650 3.647 1.891 4.383 . 0 0 "[ . 1 . 2]" 1
729 1 99 ASN HB3 1 100 THR H 4.650 . 4.650 3.305 1.697 4.236 . 0 0 "[ . 1 . 2]" 1
730 1 100 THR H 1 100 THR MG 4.190 . 4.190 2.771 2.375 3.560 . 0 0 "[ . 1 . 2]" 1
731 1 100 THR H 1 101 SER H 6.300 . 6.300 4.494 4.338 4.597 . 0 0 "[ . 1 . 2]" 1
732 1 100 THR HA 1 100 THR MG 3.600 . 3.600 2.274 2.172 2.350 . 0 0 "[ . 1 . 2]" 1
733 1 100 THR HA 1 101 SER H 3.460 . 3.460 2.478 2.164 2.834 . 0 0 "[ . 1 . 2]" 1
734 1 100 THR HB 1 101 SER H 3.730 . 3.730 2.278 1.635 2.996 . 0 0 "[ . 1 . 2]" 1
735 1 100 THR HG1 1 101 SER H 4.610 . 4.610 4.208 3.163 4.736 0.126 19 0 "[ . 1 . 2]" 1
736 1 100 THR MG 1 101 SER H 4.300 . 4.300 3.438 3.119 3.665 . 0 0 "[ . 1 . 2]" 1
737 1 100 THR MG 1 101 SER QB 5.230 . 5.230 5.057 4.692 5.342 0.112 14 0 "[ . 1 . 2]" 1
738 1 101 SER H 1 102 ASP H 5.200 . 5.200 3.145 2.516 4.449 . 0 0 "[ . 1 . 2]" 1
739 1 104 PRO QB 1 105 SER H 4.030 . 4.030 3.320 2.144 4.009 . 0 0 "[ . 1 . 2]" 1
740 1 109 THR HA 1 110 PHE H 3.530 . 3.530 2.217 2.116 2.758 . 0 0 "[ . 1 . 2]" 1
741 1 109 THR HA 1 110 PHE HA 4.700 . 4.700 4.358 4.272 4.407 . 0 0 "[ . 1 . 2]" 1
742 1 109 THR HA 1 110 PHE QD 4.970 . 4.970 4.002 2.641 4.720 . 0 0 "[ . 1 . 2]" 1
743 1 109 THR HA 1 111 PHE H 6.020 . 6.020 5.127 4.418 5.685 . 0 0 "[ . 1 . 2]" 1
744 1 109 THR HB 1 111 PHE QE 5.210 . 5.210 3.245 2.541 4.931 . 0 0 "[ . 1 . 2]" 1
745 1 109 THR MG 1 110 PHE H 4.000 . 4.000 2.732 2.220 3.314 . 0 0 "[ . 1 . 2]" 1
746 1 109 THR MG 1 111 PHE H 5.010 . 5.010 3.528 2.633 4.198 . 0 0 "[ . 1 . 2]" 1
747 1 109 THR MG 1 111 PHE HA 4.530 . 4.530 3.679 2.565 4.383 . 0 0 "[ . 1 . 2]" 1
748 1 109 THR MG 1 111 PHE QD 5.150 . 5.150 3.084 1.815 3.921 . 0 0 "[ . 1 . 2]" 1
749 1 109 THR MG 1 111 PHE QE 4.890 . 4.890 3.311 2.689 4.682 . 0 0 "[ . 1 . 2]" 1
750 1 110 PHE H 1 110 PHE QB 3.770 . 3.770 2.480 2.366 2.623 . 0 0 "[ . 1 . 2]" 1
751 1 110 PHE H 1 110 PHE QD 4.800 . 4.800 2.866 2.151 3.470 . 0 0 "[ . 1 . 2]" 1
752 1 110 PHE H 1 111 PHE H 4.870 . 4.870 3.973 3.567 4.286 . 0 0 "[ . 1 . 2]" 1
753 1 110 PHE HA 1 110 PHE QE 6.300 . 6.300 4.571 4.329 4.757 . 0 0 "[ . 1 . 2]" 1
754 1 110 PHE HA 1 111 PHE H 3.440 . 3.440 2.221 2.080 2.462 . 0 0 "[ . 1 . 2]" 1
755 1 110 PHE HA 1 111 PHE HA 4.910 . 4.910 4.451 4.366 4.516 . 0 0 "[ . 1 . 2]" 1
756 1 110 PHE HA 1 112 ASN H 3.680 . 3.680 3.324 3.027 3.632 . 0 0 "[ . 1 . 2]" 1
757 1 110 PHE QB 1 112 ASN H 5.050 . 5.050 3.777 3.262 4.585 . 0 0 "[ . 1 . 2]" 1
758 1 110 PHE QB 1 116 TYR QE 4.980 . 4.980 3.405 2.627 4.194 . 0 0 "[ . 1 . 2]" 1
759 1 110 PHE QE 1 116 TYR QB 4.700 . 4.700 2.945 2.279 3.821 . 0 0 "[ . 1 . 2]" 1
760 1 110 PHE QE 1 116 TYR QD 4.890 . 4.890 3.306 2.219 3.708 . 0 0 "[ . 1 . 2]" 1
761 1 110 PHE QE 1 118 VAL MG2 5.110 . 5.110 3.792 3.251 4.658 . 0 0 "[ . 1 . 2]" 1
762 1 110 PHE QE 1 135 ILE MG 4.900 . 4.900 3.044 1.785 4.949 0.049 6 0 "[ . 1 . 2]" 1
763 1 110 PHE HZ 1 118 VAL MG2 4.390 . 4.390 3.094 2.451 4.243 . 0 0 "[ . 1 . 2]" 1
764 1 110 PHE HZ 1 135 ILE HB 6.300 . 6.300 4.595 2.571 6.193 . 0 0 "[ . 1 . 2]" 1
765 1 110 PHE HZ 1 135 ILE HG13 6.280 . 6.280 3.765 2.436 5.851 . 0 0 "[ . 1 . 2]" 1
766 1 110 PHE HZ 1 135 ILE MG 5.640 . 5.640 3.772 2.692 5.532 . 0 0 "[ . 1 . 2]" 1
767 1 111 PHE H 1 111 PHE HB2 4.120 . 4.120 2.831 2.390 3.666 . 0 0 "[ . 1 . 2]" 1
768 1 111 PHE H 1 111 PHE QB 3.510 . 3.510 2.551 2.358 2.843 . 0 0 "[ . 1 . 2]" 1
769 1 111 PHE H 1 111 PHE HB3 4.120 . 4.120 3.412 2.815 3.667 . 0 0 "[ . 1 . 2]" 1
770 1 111 PHE H 1 111 PHE QD 4.810 . 4.810 2.634 2.274 3.248 . 0 0 "[ . 1 . 2]" 1
771 1 111 PHE H 1 112 ASN H 2.960 . 2.960 2.305 2.077 2.503 . 0 0 "[ . 1 . 2]" 1
772 1 111 PHE H 1 112 ASN HA 5.350 . 5.350 5.010 4.825 5.176 . 0 0 "[ . 1 . 2]" 1
773 1 111 PHE QB 1 112 ASN H 4.010 . 4.010 3.143 2.687 3.759 . 0 0 "[ . 1 . 2]" 1
774 1 111 PHE HB2 1 112 ASN H 4.600 . 4.600 3.306 2.749 4.138 . 0 0 "[ . 1 . 2]" 1
775 1 111 PHE HB3 1 112 ASN H 4.600 . 4.600 4.044 3.786 4.423 . 0 0 "[ . 1 . 2]" 1
776 1 111 PHE QD 1 112 ASN H 5.960 . 5.960 4.022 3.176 4.620 . 0 0 "[ . 1 . 2]" 1
777 1 111 PHE QD 1 112 ASN HA 6.300 . 6.300 5.377 3.813 6.127 . 0 0 "[ . 1 . 2]" 1
778 1 112 ASN H 1 112 ASN HB2 4.090 . 4.090 2.782 2.424 3.900 . 0 0 "[ . 1 . 2]" 1
779 1 112 ASN H 1 112 ASN HB3 4.090 . 4.090 3.397 2.501 3.813 . 0 0 "[ . 1 . 2]" 1
780 1 112 ASN H 1 112 ASN QD 5.020 . 5.020 4.060 2.721 4.809 . 0 0 "[ . 1 . 2]" 1
781 1 112 ASN H 1 113 GLU H 5.160 . 5.160 4.423 4.300 4.507 . 0 0 "[ . 1 . 2]" 1
782 1 112 ASN H 1 116 TYR QE 5.300 . 5.300 4.360 3.347 5.198 . 0 0 "[ . 1 . 2]" 1
783 1 112 ASN HA 1 113 GLU H 3.400 . 3.400 2.282 2.139 2.552 . 0 0 "[ . 1 . 2]" 1
784 1 112 ASN HA 1 113 GLU QB 4.740 . 4.740 4.336 3.929 4.746 0.006 11 0 "[ . 1 . 2]" 1
785 1 112 ASN QB 1 113 GLU H 3.850 . 3.850 2.892 2.030 3.668 . 0 0 "[ . 1 . 2]" 1
786 1 112 ASN HB2 1 113 GLU H 4.510 . 4.510 3.821 2.473 4.372 . 0 0 "[ . 1 . 2]" 1
787 1 112 ASN HB3 1 113 GLU H 4.510 . 4.510 3.149 2.043 4.107 . 0 0 "[ . 1 . 2]" 1
788 1 113 GLU H 1 113 GLU HB2 3.870 . 3.870 2.778 2.312 3.721 . 0 0 "[ . 1 . 2]" 1
789 1 113 GLU H 1 113 GLU QB 3.390 . 3.390 2.441 2.162 2.841 . 0 0 "[ . 1 . 2]" 1
790 1 113 GLU H 1 113 GLU HB3 3.870 . 3.870 3.126 2.403 3.678 . 0 0 "[ . 1 . 2]" 1
791 1 113 GLU H 1 113 GLU QG 4.260 . 4.260 3.147 1.912 4.018 . 0 0 "[ . 1 . 2]" 1
792 1 113 GLU H 1 114 GLY H 4.960 . 4.960 4.508 4.012 4.624 . 0 0 "[ . 1 . 2]" 1
793 1 113 GLU H 1 116 TYR QE 6.300 . 6.300 5.233 4.707 5.837 . 0 0 "[ . 1 . 2]" 1
794 1 113 GLU H 1 137 ALA MB 5.650 . 5.650 4.825 4.421 5.206 . 0 0 "[ . 1 . 2]" 1
795 1 113 GLU HA 1 114 GLY H 3.300 . 3.300 2.328 2.025 2.559 . 0 0 "[ . 1 . 2]" 1
796 1 113 GLU HA 1 137 ALA H 6.300 . 6.300 5.196 4.657 6.076 . 0 0 "[ . 1 . 2]" 1
797 1 113 GLU HA 1 137 ALA MB 3.780 . 3.780 2.495 2.012 2.862 . 0 0 "[ . 1 . 2]" 1
798 1 113 GLU QB 1 114 GLY H 3.790 . 3.790 2.816 2.089 3.725 . 0 0 "[ . 1 . 2]" 1
799 1 113 GLU HB2 1 114 GLY H 4.410 . 4.410 3.525 2.104 4.427 0.017 15 0 "[ . 1 . 2]" 1
800 1 113 GLU HB2 1 137 ALA MB 4.920 . 4.920 3.953 2.440 4.887 . 0 0 "[ . 1 . 2]" 1
801 1 113 GLU HB3 1 114 GLY H 4.410 . 4.410 3.304 2.192 4.158 . 0 0 "[ . 1 . 2]" 1
802 1 113 GLU HB3 1 137 ALA MB 4.920 . 4.920 3.674 2.627 5.020 0.100 3 0 "[ . 1 . 2]" 1
803 1 113 GLU QG 1 114 GLY H 3.900 . 3.900 3.397 2.250 4.113 0.213 16 0 "[ . 1 . 2]" 1
804 1 113 GLU QG 1 116 TYR QE 6.300 . 6.300 5.325 4.687 6.301 0.001 11 0 "[ . 1 . 2]" 1
805 1 113 GLU QG 1 137 ALA MB 5.000 . 5.000 3.230 1.959 4.712 . 0 0 "[ . 1 . 2]" 1
806 1 114 GLY H 1 115 GLU H 4.650 . 4.650 4.318 4.035 4.448 . 0 0 "[ . 1 . 2]" 1
807 1 114 GLY H 1 116 TYR QE 5.700 . 5.700 3.544 2.511 4.579 . 0 0 "[ . 1 . 2]" 1
808 1 114 GLY H 1 137 ALA H 4.770 . 4.770 3.572 2.987 4.431 . 0 0 "[ . 1 . 2]" 1
809 1 114 GLY H 1 137 ALA MB 3.730 . 3.730 1.937 1.524 2.346 . 0 0 "[ . 1 . 2]" 1
810 1 114 GLY QA 1 115 GLU H 3.010 . 3.010 2.211 2.090 2.313 . 0 0 "[ . 1 . 2]" 1
811 1 114 GLY QA 1 115 GLU QB 5.740 . 5.740 3.714 3.519 3.842 . 0 0 "[ . 1 . 2]" 1
812 1 114 GLY QA 1 137 ALA MB 4.570 . 4.570 3.653 3.245 3.927 . 0 0 "[ . 1 . 2]" 1
813 1 114 GLY HA2 1 115 GLU H 3.600 . 3.600 2.837 2.515 3.292 . 0 0 "[ . 1 . 2]" 1
814 1 114 GLY HA3 1 115 GLU H 3.600 . 3.600 2.349 2.118 2.646 . 0 0 "[ . 1 . 2]" 1
815 1 115 GLU H 1 115 GLU HB2 4.060 . 4.060 2.905 2.729 3.222 . 0 0 "[ . 1 . 2]" 1
816 1 115 GLU H 1 115 GLU QB 3.440 . 3.440 2.474 2.256 2.695 . 0 0 "[ . 1 . 2]" 1
817 1 115 GLU H 1 115 GLU HB3 4.060 . 4.060 2.688 2.403 3.132 . 0 0 "[ . 1 . 2]" 1
818 1 115 GLU H 1 115 GLU HG2 5.260 . 5.260 4.522 4.364 4.817 . 0 0 "[ . 1 . 2]" 1
819 1 115 GLU H 1 115 GLU QG 4.460 . 4.460 4.083 3.978 4.207 . 0 0 "[ . 1 . 2]" 1
820 1 115 GLU H 1 115 GLU HG3 5.260 . 5.260 4.658 4.555 4.990 . 0 0 "[ . 1 . 2]" 1
821 1 115 GLU H 1 116 TYR H 4.870 . 4.870 4.218 4.003 4.401 . 0 0 "[ . 1 . 2]" 1
822 1 115 GLU HA 1 116 TYR H 3.070 . 3.070 2.125 2.089 2.174 . 0 0 "[ . 1 . 2]" 1
823 1 115 GLU HA 1 116 TYR QD 5.170 . 5.170 3.870 3.458 4.311 . 0 0 "[ . 1 . 2]" 1
824 1 115 GLU HA 1 116 TYR QE 5.650 . 5.650 5.010 4.423 5.343 . 0 0 "[ . 1 . 2]" 1
825 1 115 GLU HA 1 137 ALA MB 5.420 . 5.420 4.222 3.783 4.811 . 0 0 "[ . 1 . 2]" 1
826 1 115 GLU QG 1 134 THR MG 3.620 . 3.620 2.195 1.839 2.774 . 0 0 "[ . 1 . 2]" 1
827 1 115 GLU QG 1 136 ARG QG 4.590 . 4.590 3.114 2.150 3.956 . 0 0 "[ . 1 . 2]" 1
828 1 115 GLU HG2 1 116 TYR H 4.740 . 4.740 3.341 2.373 3.771 . 0 0 "[ . 1 . 2]" 1
829 1 115 GLU HG2 1 134 THR MG 4.290 . 4.290 2.532 1.863 3.181 . 0 0 "[ . 1 . 2]" 1
830 1 115 GLU HG3 1 116 TYR H 4.740 . 4.740 3.593 3.240 4.433 . 0 0 "[ . 1 . 2]" 1
831 1 115 GLU HG3 1 134 THR MG 4.290 . 4.290 2.538 2.022 3.056 . 0 0 "[ . 1 . 2]" 1
832 1 116 TYR H 1 116 TYR QB 3.810 . 3.810 2.594 2.358 2.893 . 0 0 "[ . 1 . 2]" 1
833 1 116 TYR H 1 116 TYR QD 4.350 . 4.350 2.839 2.445 3.177 . 0 0 "[ . 1 . 2]" 1
834 1 116 TYR H 1 116 TYR QE 6.300 . 6.300 4.692 4.073 5.119 . 0 0 "[ . 1 . 2]" 1
835 1 116 TYR H 1 117 ILE H 4.820 . 4.820 4.404 4.041 4.543 . 0 0 "[ . 1 . 2]" 1
836 1 116 TYR H 1 134 THR MG 5.390 . 5.390 4.118 3.637 4.406 . 0 0 "[ . 1 . 2]" 1
837 1 116 TYR H 1 135 ILE H 4.380 . 4.380 3.549 3.278 4.015 . 0 0 "[ . 1 . 2]" 1
838 1 116 TYR H 1 135 ILE HB 3.970 . 3.970 3.057 2.661 3.563 . 0 0 "[ . 1 . 2]" 1
839 1 116 TYR H 1 135 ILE MG 5.660 . 5.660 4.071 3.551 4.495 . 0 0 "[ . 1 . 2]" 1
840 1 116 TYR HA 1 116 TYR QE 5.090 . 5.090 4.735 4.455 5.074 . 0 0 "[ . 1 . 2]" 1
841 1 116 TYR HA 1 117 ILE H 3.140 . 3.140 2.256 2.127 2.436 . 0 0 "[ . 1 . 2]" 1
842 1 116 TYR HA 1 117 ILE HB 5.150 . 5.150 4.764 4.551 4.966 . 0 0 "[ . 1 . 2]" 1
843 1 116 TYR HA 1 117 ILE MG 5.900 . 5.900 5.484 5.397 5.550 . 0 0 "[ . 1 . 2]" 1
844 1 116 TYR QB 1 117 ILE H 4.160 . 4.160 2.937 2.440 3.581 . 0 0 "[ . 1 . 2]" 1
845 1 116 TYR QB 1 118 VAL MG2 4.790 . 4.790 3.363 2.859 3.893 . 0 0 "[ . 1 . 2]" 1
846 1 116 TYR QB 1 135 ILE HB 4.940 . 4.940 2.328 1.802 3.079 . 0 0 "[ . 1 . 2]" 1
847 1 116 TYR QB 1 135 ILE HG12 6.100 . 6.100 3.728 2.925 4.341 . 0 0 "[ . 1 . 2]" 1
848 1 116 TYR QB 1 135 ILE MG 5.210 . 5.210 3.390 2.750 4.142 . 0 0 "[ . 1 . 2]" 1
849 1 116 TYR HB2 1 117 ILE H 4.740 . 4.740 3.924 3.508 4.414 . 0 0 "[ . 1 . 2]" 1
850 1 116 TYR HB3 1 117 ILE H 4.740 . 4.740 3.045 2.475 3.806 . 0 0 "[ . 1 . 2]" 1
851 1 116 TYR QD 1 117 ILE H 4.990 . 4.990 4.178 3.607 4.736 . 0 0 "[ . 1 . 2]" 1
852 1 116 TYR QD 1 137 ALA H 5.950 . 5.950 4.258 3.683 5.870 . 0 0 "[ . 1 . 2]" 1
853 1 116 TYR QE 1 137 ALA MB 3.750 . 3.750 2.656 1.725 3.791 0.041 8 0 "[ . 1 . 2]" 1
854 1 117 ILE H 1 117 ILE HB 3.510 . 3.510 2.762 2.604 2.956 . 0 0 "[ . 1 . 2]" 1
855 1 117 ILE H 1 117 ILE MD 4.970 . 4.970 3.634 2.098 4.145 . 0 0 "[ . 1 . 2]" 1
856 1 117 ILE H 1 117 ILE QG 4.180 . 4.180 2.808 2.269 3.552 . 0 0 "[ . 1 . 2]" 1
857 1 117 ILE H 1 117 ILE MG 4.670 . 4.670 3.898 3.837 3.965 . 0 0 "[ . 1 . 2]" 1
858 1 117 ILE H 1 118 VAL H 6.000 . 6.000 4.186 3.933 4.384 . 0 0 "[ . 1 . 2]" 1
859 1 117 ILE H 1 118 VAL HA 5.030 . 5.030 4.867 4.489 5.116 0.086 3 0 "[ . 1 . 2]" 1
860 1 117 ILE HA 1 117 ILE MD 4.240 . 4.240 3.720 2.135 3.990 . 0 0 "[ . 1 . 2]" 1
861 1 117 ILE HA 1 118 VAL H 3.520 . 3.520 2.118 2.060 2.164 . 0 0 "[ . 1 . 2]" 1
862 1 117 ILE HA 1 118 VAL MG2 4.150 . 4.150 3.723 3.449 3.946 . 0 0 "[ . 1 . 2]" 1
863 1 117 ILE HA 1 133 VAL H 4.880 . 4.880 4.411 4.086 4.735 . 0 0 "[ . 1 . 2]" 1
864 1 117 ILE HA 1 133 VAL QG 5.500 . 5.500 4.356 3.885 5.007 . 0 0 "[ . 1 . 2]" 1
865 1 117 ILE HA 1 134 THR HA 4.210 . 4.210 2.727 2.291 3.316 . 0 0 "[ . 1 . 2]" 1
866 1 117 ILE HA 1 135 ILE H 4.700 . 4.700 2.927 2.640 3.249 . 0 0 "[ . 1 . 2]" 1
867 1 117 ILE HB 1 117 ILE MD 3.440 . 3.440 2.431 2.290 3.255 . 0 0 "[ . 1 . 2]" 1
868 1 117 ILE HB 1 118 VAL H 5.810 . 5.810 4.295 4.207 4.379 . 0 0 "[ . 1 . 2]" 1
869 1 117 ILE MD 1 134 THR HA 6.300 . 6.300 4.153 1.923 4.940 . 0 0 "[ . 1 . 2]" 1
870 1 117 ILE QG 1 118 VAL H 6.020 . 6.020 4.318 4.097 4.678 . 0 0 "[ . 1 . 2]" 1
871 1 117 ILE QG 1 135 ILE H 5.180 . 5.180 3.812 3.246 4.321 . 0 0 "[ . 1 . 2]" 1
872 1 117 ILE QG 1 135 ILE HG12 5.200 . 5.200 5.155 4.809 5.353 0.153 13 0 "[ . 1 . 2]" 1
873 1 117 ILE MG 1 118 VAL H 4.150 . 4.150 2.969 2.783 3.230 . 0 0 "[ . 1 . 2]" 1
874 1 117 ILE MG 1 118 VAL MG2 4.850 . 4.850 4.514 4.358 4.704 . 0 0 "[ . 1 . 2]" 1
875 1 117 ILE MG 1 119 SER HA 5.490 . 5.490 4.131 3.763 4.517 . 0 0 "[ . 1 . 2]" 1
876 1 117 ILE MG 1 119 SER QB 5.210 . 5.210 3.581 2.397 4.798 . 0 0 "[ . 1 . 2]" 1
877 1 117 ILE MG 1 132 SER HA 5.600 . 5.600 3.951 3.509 4.319 . 0 0 "[ . 1 . 2]" 1
878 1 117 ILE MG 1 132 SER HB2 4.390 . 4.390 3.810 2.997 4.147 . 0 0 "[ . 1 . 2]" 1
879 1 117 ILE MG 1 132 SER QB 3.690 . 3.690 3.062 1.959 3.604 . 0 0 "[ . 1 . 2]" 1
880 1 117 ILE MG 1 132 SER HB3 4.390 . 4.390 3.305 1.977 4.097 . 0 0 "[ . 1 . 2]" 1
881 1 117 ILE MG 1 133 VAL H 4.600 . 4.600 3.180 2.765 3.542 . 0 0 "[ . 1 . 2]" 1
882 1 117 ILE MG 1 134 THR HA 5.250 . 5.250 3.155 2.590 3.688 . 0 0 "[ . 1 . 2]" 1
883 1 117 ILE MG 1 135 ILE MD 5.120 . 5.120 5.234 5.154 5.314 0.194 12 0 "[ . 1 . 2]" 1
884 1 118 VAL H 1 118 VAL HB 3.980 . 3.980 2.563 2.433 2.626 . 0 0 "[ . 1 . 2]" 1
885 1 118 VAL H 1 118 VAL MG2 4.150 . 4.150 2.386 2.208 2.604 . 0 0 "[ . 1 . 2]" 1
886 1 118 VAL H 1 132 SER HA 5.820 . 5.820 5.031 4.769 5.403 . 0 0 "[ . 1 . 2]" 1
887 1 118 VAL H 1 133 VAL H 4.130 . 4.130 3.366 3.142 3.578 . 0 0 "[ . 1 . 2]" 1
888 1 118 VAL H 1 133 VAL QG 4.860 . 4.860 3.400 2.675 4.333 . 0 0 "[ . 1 . 2]" 1
889 1 118 VAL H 1 134 THR HA 5.000 . 5.000 4.001 3.561 4.584 . 0 0 "[ . 1 . 2]" 1
890 1 118 VAL H 1 135 ILE H 5.190 . 5.190 3.829 3.457 4.172 . 0 0 "[ . 1 . 2]" 1
891 1 118 VAL HA 1 119 SER H 3.350 . 3.350 2.173 2.118 2.252 . 0 0 "[ . 1 . 2]" 1
892 1 118 VAL HB 1 119 SER H 5.030 . 5.030 4.206 4.020 4.433 . 0 0 "[ . 1 . 2]" 1
893 1 118 VAL HB 1 133 VAL H 4.470 . 4.470 3.737 3.410 4.028 . 0 0 "[ . 1 . 2]" 1
894 1 118 VAL HB 1 133 VAL QG 3.850 . 3.850 2.854 1.910 3.937 0.087 3 0 "[ . 1 . 2]" 1
895 1 118 VAL MG1 1 119 SER H 3.910 . 3.910 2.787 2.519 3.145 . 0 0 "[ . 1 . 2]" 1
896 1 118 VAL MG1 1 119 SER HA 5.250 . 5.250 3.748 3.567 3.918 . 0 0 "[ . 1 . 2]" 1
897 1 118 VAL MG1 1 120 LEU H 4.830 . 4.830 4.183 3.696 4.636 . 0 0 "[ . 1 . 2]" 1
898 1 118 VAL MG1 1 120 LEU QB 5.380 . 5.380 3.650 2.904 3.882 . 0 0 "[ . 1 . 2]" 1
899 1 118 VAL MG1 1 133 VAL H 5.250 . 5.250 4.532 4.019 4.802 . 0 0 "[ . 1 . 2]" 1
900 1 118 VAL MG1 1 133 VAL QG 4.130 . 4.130 3.706 2.999 4.352 0.222 3 0 "[ . 1 . 2]" 1
901 1 118 VAL MG2 1 119 SER H 4.620 . 4.620 4.107 3.994 4.242 . 0 0 "[ . 1 . 2]" 1
902 1 118 VAL MG2 1 133 VAL H 5.510 . 5.510 4.814 4.537 5.038 . 0 0 "[ . 1 . 2]" 1
903 1 118 VAL MG2 1 133 VAL HB 6.300 . 6.300 5.816 4.357 6.399 0.099 1 0 "[ . 1 . 2]" 1
904 1 118 VAL MG2 1 133 VAL QG 4.320 . 4.320 3.557 2.655 4.426 0.106 17 0 "[ . 1 . 2]" 1
905 1 118 VAL MG2 1 135 ILE MD 4.430 . 4.430 2.952 2.409 3.398 . 0 0 "[ . 1 . 2]" 1
906 1 118 VAL MG2 1 135 ILE HG13 4.350 . 4.350 2.279 1.955 2.667 . 0 0 "[ . 1 . 2]" 1
907 1 119 SER H 1 120 LEU H 5.270 . 5.270 4.294 4.118 4.446 . 0 0 "[ . 1 . 2]" 1
908 1 119 SER HA 1 120 LEU H 3.320 . 3.320 2.116 2.064 2.223 . 0 0 "[ . 1 . 2]" 1
909 1 119 SER HA 1 131 ALA H 5.230 . 5.230 4.843 4.459 5.223 . 0 0 "[ . 1 . 2]" 1
910 1 119 SER HA 1 132 SER HA 4.350 . 4.350 2.399 2.126 2.913 . 0 0 "[ . 1 . 2]" 1
911 1 119 SER HA 1 132 SER QB 5.190 . 5.190 3.340 2.904 3.680 . 0 0 "[ . 1 . 2]" 1
912 1 119 SER HA 1 133 VAL H 4.950 . 4.950 3.823 3.437 4.350 . 0 0 "[ . 1 . 2]" 1
913 1 119 SER QB 1 120 LEU H 4.230 . 4.230 3.478 2.691 3.869 . 0 0 "[ . 1 . 2]" 1
914 1 119 SER HB2 1 120 LEU H 4.940 . 4.940 4.184 3.797 4.379 . 0 0 "[ . 1 . 2]" 1
915 1 119 SER HB3 1 120 LEU H 4.940 . 4.940 3.775 2.753 4.343 . 0 0 "[ . 1 . 2]" 1
916 1 120 LEU H 1 120 LEU QB 3.800 . 3.800 2.439 2.288 2.573 . 0 0 "[ . 1 . 2]" 1
917 1 120 LEU H 1 120 LEU QD 5.070 . 5.070 3.870 3.714 4.004 . 0 0 "[ . 1 . 2]" 1
918 1 120 LEU H 1 120 LEU HG 5.310 . 5.310 4.580 4.366 4.959 . 0 0 "[ . 1 . 2]" 1
919 1 120 LEU H 1 121 ILE HA 5.460 . 5.460 4.848 4.679 5.140 . 0 0 "[ . 1 . 2]" 1
920 1 120 LEU H 1 130 SER HA 5.460 . 5.460 4.946 4.624 5.353 . 0 0 "[ . 1 . 2]" 1
921 1 120 LEU H 1 130 SER QB 5.280 . 5.280 4.678 4.215 5.314 0.034 6 0 "[ . 1 . 2]" 1
922 1 120 LEU H 1 131 ALA H 4.270 . 4.270 3.390 3.017 3.752 . 0 0 "[ . 1 . 2]" 1
923 1 120 LEU H 1 131 ALA MB 5.160 . 5.160 3.947 3.148 4.322 . 0 0 "[ . 1 . 2]" 1
924 1 120 LEU H 1 132 SER H 5.790 . 5.790 5.082 4.770 5.277 . 0 0 "[ . 1 . 2]" 1
925 1 120 LEU H 1 132 SER HA 4.390 . 4.390 3.385 3.178 3.645 . 0 0 "[ . 1 . 2]" 1
926 1 120 LEU H 1 132 SER QB 5.530 . 5.530 4.444 3.803 5.117 . 0 0 "[ . 1 . 2]" 1
927 1 120 LEU HA 1 120 LEU QD 3.830 . 3.830 2.158 1.922 2.275 . 0 0 "[ . 1 . 2]" 1
928 1 120 LEU HA 1 121 ILE H 3.480 . 3.480 2.133 2.083 2.208 . 0 0 "[ . 1 . 2]" 1
929 1 120 LEU HA 1 121 ILE HB 5.830 . 5.830 4.788 4.630 4.977 . 0 0 "[ . 1 . 2]" 1
930 1 120 LEU HA 1 121 ILE MG 5.750 . 5.750 3.593 3.372 3.783 . 0 0 "[ . 1 . 2]" 1
931 1 120 LEU QB 1 131 ALA MB 5.190 . 5.190 3.439 2.316 4.054 . 0 0 "[ . 1 . 2]" 1
932 1 120 LEU QD 1 121 ILE H 4.010 . 4.010 2.330 1.997 2.553 . 0 0 "[ . 1 . 2]" 1
933 1 120 LEU QD 1 121 ILE HA 5.400 . 5.400 3.746 2.860 4.228 . 0 0 "[ . 1 . 2]" 1
934 1 120 LEU QD 1 122 VAL H 6.200 . 6.200 4.126 3.114 4.698 . 0 0 "[ . 1 . 2]" 1
935 1 120 LEU QD 1 122 VAL HA 5.070 . 5.070 4.106 3.682 4.423 . 0 0 "[ . 1 . 2]" 1
936 1 120 LEU QD 1 122 VAL HB 6.030 . 6.030 4.723 4.128 5.150 . 0 0 "[ . 1 . 2]" 1
937 1 120 LEU QD 1 122 VAL MG1 3.550 . 3.550 2.375 1.846 2.789 . 0 0 "[ . 1 . 2]" 1
938 1 120 LEU QD 1 122 VAL MG2 4.420 . 4.420 3.638 2.644 4.353 . 0 0 "[ . 1 . 2]" 1
939 1 120 LEU HG 1 122 VAL MG1 4.370 . 4.370 3.172 2.457 4.223 . 0 0 "[ . 1 . 2]" 1
940 1 120 LEU HG 1 122 VAL MG2 5.170 . 5.170 4.430 3.498 5.302 0.132 3 0 "[ . 1 . 2]" 1
941 1 121 ILE H 1 121 ILE HB 3.810 . 3.810 3.309 3.168 3.398 . 0 0 "[ . 1 . 2]" 1
942 1 121 ILE H 1 121 ILE MD 4.840 . 4.840 4.547 4.071 4.792 . 0 0 "[ . 1 . 2]" 1
943 1 121 ILE H 1 121 ILE HG12 5.450 . 5.450 4.463 4.189 4.954 . 0 0 "[ . 1 . 2]" 1
944 1 121 ILE H 1 121 ILE QG 4.660 . 4.660 4.095 3.903 4.320 . 0 0 "[ . 1 . 2]" 1
945 1 121 ILE H 1 121 ILE HG13 5.450 . 5.450 4.788 4.368 5.107 . 0 0 "[ . 1 . 2]" 1
946 1 121 ILE H 1 121 ILE MG 3.990 . 3.990 2.187 2.069 2.294 . 0 0 "[ . 1 . 2]" 1
947 1 121 ILE H 1 122 VAL H 5.500 . 5.500 4.273 4.161 4.389 . 0 0 "[ . 1 . 2]" 1
948 1 121 ILE H 1 122 VAL MG1 5.710 . 5.710 4.121 3.959 4.295 . 0 0 "[ . 1 . 2]" 1
949 1 121 ILE H 1 122 VAL MG2 5.920 . 5.920 5.190 4.991 5.509 . 0 0 "[ . 1 . 2]" 1
950 1 121 ILE HA 1 122 VAL H 3.620 . 3.620 2.130 2.069 2.198 . 0 0 "[ . 1 . 2]" 1
951 1 121 ILE HA 1 122 VAL MG1 5.390 . 5.390 3.887 3.704 4.147 . 0 0 "[ . 1 . 2]" 1
952 1 121 ILE HA 1 122 VAL MG2 6.300 . 6.300 3.576 3.486 3.683 . 0 0 "[ . 1 . 2]" 1
953 1 121 ILE HA 1 129 ASP H 6.300 . 6.300 4.878 4.652 5.192 . 0 0 "[ . 1 . 2]" 1
954 1 121 ILE HA 1 130 SER H 5.230 . 5.230 4.730 4.526 4.940 . 0 0 "[ . 1 . 2]" 1
955 1 121 ILE HA 1 130 SER HA 4.350 . 4.350 2.144 1.972 2.360 . 0 0 "[ . 1 . 2]" 1
956 1 121 ILE HA 1 130 SER QB 4.140 . 4.140 2.931 2.603 3.461 . 0 0 "[ . 1 . 2]" 1
957 1 121 ILE HA 1 131 ALA H 4.460 . 4.460 3.435 3.078 3.563 . 0 0 "[ . 1 . 2]" 1
958 1 121 ILE HB 1 121 ILE MD 3.660 . 3.660 2.677 2.355 3.253 . 0 0 "[ . 1 . 2]" 1
959 1 121 ILE HB 1 122 VAL H 5.400 . 5.400 4.086 4.002 4.211 . 0 0 "[ . 1 . 2]" 1
960 1 121 ILE MD 1 122 VAL H 4.170 . 4.170 3.890 2.550 4.341 0.171 18 0 "[ . 1 . 2]" 1
961 1 121 ILE MD 1 128 SER HA 6.300 . 6.300 4.733 3.792 5.656 . 0 0 "[ . 1 . 2]" 1
962 1 121 ILE MD 1 128 SER QB 4.170 . 4.170 2.642 1.795 3.562 . 0 0 "[ . 1 . 2]" 1
963 1 121 ILE MD 1 129 ASP H 5.550 . 5.550 4.404 3.413 5.273 . 0 0 "[ . 1 . 2]" 1
964 1 121 ILE MD 1 130 SER HA 5.530 . 5.530 4.407 2.808 4.911 . 0 0 "[ . 1 . 2]" 1
965 1 121 ILE MD 1 130 SER QB 4.550 . 4.550 3.016 1.849 4.654 0.104 20 0 "[ . 1 . 2]" 1
966 1 121 ILE MD 1 131 ALA H 6.300 . 6.300 5.851 4.511 6.359 0.059 20 0 "[ . 1 . 2]" 1
967 1 121 ILE QG 1 121 ILE MG 3.210 . 3.210 2.389 2.075 2.526 . 0 0 "[ . 1 . 2]" 1
968 1 121 ILE QG 1 122 VAL H 4.630 . 4.630 2.666 2.511 3.147 . 0 0 "[ . 1 . 2]" 1
969 1 121 ILE QG 1 130 SER QB 3.870 . 3.870 2.584 2.079 3.722 . 0 0 "[ . 1 . 2]" 1
970 1 121 ILE QG 1 131 ALA H 5.840 . 5.840 5.106 4.719 5.949 0.109 15 0 "[ . 1 . 2]" 1
971 1 121 ILE HG12 1 122 VAL H 5.290 . 5.290 3.115 2.636 4.640 . 0 0 "[ . 1 . 2]" 1
972 1 121 ILE HG12 1 130 SER QB 4.610 . 4.610 3.629 2.252 4.788 0.178 16 0 "[ . 1 . 2]" 1
973 1 121 ILE HG13 1 122 VAL H 5.290 . 5.290 3.288 2.650 4.557 . 0 0 "[ . 1 . 2]" 1
974 1 121 ILE HG13 1 130 SER QB 4.610 . 4.610 2.721 2.107 4.392 . 0 0 "[ . 1 . 2]" 1
975 1 121 ILE MG 1 122 VAL H 4.970 . 4.970 4.158 4.021 4.269 . 0 0 "[ . 1 . 2]" 1
976 1 121 ILE MG 1 122 VAL HA 5.240 . 5.240 4.281 4.058 4.419 . 0 0 "[ . 1 . 2]" 1
977 1 121 ILE MG 1 130 SER HA 5.480 . 5.480 4.605 4.297 4.921 . 0 0 "[ . 1 . 2]" 1
978 1 121 ILE MG 1 130 SER QB 4.230 . 4.230 3.655 3.342 4.238 0.008 16 0 "[ . 1 . 2]" 1
979 1 121 ILE MG 1 131 ALA H 6.300 . 6.300 5.295 4.937 5.597 . 0 0 "[ . 1 . 2]" 1
980 1 122 VAL H 1 122 VAL MG1 4.280 . 4.280 3.015 2.859 3.161 . 0 0 "[ . 1 . 2]" 1
981 1 122 VAL H 1 122 VAL MG2 3.850 . 3.850 2.114 2.034 2.167 . 0 0 "[ . 1 . 2]" 1
982 1 122 VAL H 1 129 ASP H 3.810 . 3.810 3.339 3.149 3.555 . 0 0 "[ . 1 . 2]" 1
983 1 122 VAL H 1 130 SER HA 4.700 . 4.700 3.305 3.103 3.464 . 0 0 "[ . 1 . 2]" 1
984 1 122 VAL H 1 130 SER QB 4.940 . 4.940 4.242 3.698 4.799 . 0 0 "[ . 1 . 2]" 1
985 1 122 VAL H 1 131 ALA H 5.870 . 5.870 4.941 4.695 5.160 . 0 0 "[ . 1 . 2]" 1
986 1 122 VAL HA 1 123 SER H 3.030 . 3.030 2.359 2.272 2.418 . 0 0 "[ . 1 . 2]" 1
987 1 122 VAL HB 1 123 SER H 3.730 . 3.730 2.490 2.355 2.670 . 0 0 "[ . 1 . 2]" 1
988 1 122 VAL MG1 1 123 SER H 3.980 . 3.980 3.515 3.384 3.656 . 0 0 "[ . 1 . 2]" 1
989 1 122 VAL MG1 1 128 SER HA 6.300 . 6.300 6.280 6.048 6.388 0.088 2 0 "[ . 1 . 2]" 1
990 1 122 VAL MG1 1 129 ASP H 6.160 . 6.160 5.224 4.882 5.402 . 0 0 "[ . 1 . 2]" 1
991 1 122 VAL MG1 1 130 SER HA 6.300 . 6.300 5.100 4.644 5.459 . 0 0 "[ . 1 . 2]" 1
992 1 122 VAL MG2 1 123 SER H 4.260 . 4.260 3.663 3.466 3.869 . 0 0 "[ . 1 . 2]" 1
993 1 122 VAL MG2 1 128 SER HA 5.780 . 5.780 4.143 3.573 4.491 . 0 0 "[ . 1 . 2]" 1
994 1 122 VAL MG2 1 129 ASP H 3.910 . 3.910 2.872 2.361 3.143 . 0 0 "[ . 1 . 2]" 1
995 1 123 SER H 1 123 SER HB2 4.220 . 4.220 3.214 2.685 3.864 . 0 0 "[ . 1 . 2]" 1
996 1 123 SER H 1 124 ASN H 4.640 . 4.640 4.372 4.295 4.435 . 0 0 "[ . 1 . 2]" 1
997 1 123 SER H 1 124 ASN HA 5.250 . 5.250 4.978 4.826 5.112 . 0 0 "[ . 1 . 2]" 1
998 1 123 SER H 1 124 ASN QB 5.080 . 5.080 4.769 4.500 5.101 0.021 14 0 "[ . 1 . 2]" 1
999 1 123 SER H 1 128 SER HA 5.480 . 5.480 4.951 4.772 5.142 . 0 0 "[ . 1 . 2]" 1
1000 1 123 SER H 1 128 SER QB 5.480 . 5.480 4.929 4.483 5.421 . 0 0 "[ . 1 . 2]" 1
1001 1 123 SER HA 1 124 ASN H 3.210 . 3.210 2.229 2.141 2.360 . 0 0 "[ . 1 . 2]" 1
1002 1 123 SER HA 1 124 ASN QB 6.300 . 6.300 3.926 3.794 4.014 . 0 0 "[ . 1 . 2]" 1
1003 1 123 SER HA 1 127 ASP H 6.140 . 6.140 5.480 4.843 5.974 . 0 0 "[ . 1 . 2]" 1
1004 1 123 SER HA 1 128 SER HA 4.050 . 4.050 2.413 2.132 2.705 . 0 0 "[ . 1 . 2]" 1
1005 1 123 SER HA 1 128 SER QB 5.130 . 5.130 2.741 2.068 3.621 . 0 0 "[ . 1 . 2]" 1
1006 1 123 SER HA 1 129 ASP H 4.280 . 4.280 3.595 3.220 3.783 . 0 0 "[ . 1 . 2]" 1
1007 1 123 SER HB2 1 124 ASN H 3.760 . 3.760 3.315 2.563 3.804 0.044 2 0 "[ . 1 . 2]" 1
1008 1 123 SER HB3 1 124 ASN H 3.920 . 3.920 3.226 2.609 3.973 0.053 11 0 "[ . 1 . 2]" 1
1009 1 123 SER HB3 1 124 ASN HA 6.300 . 6.300 4.965 4.184 5.748 . 0 0 "[ . 1 . 2]" 1
1010 1 123 SER HB3 1 128 SER HA 5.330 . 5.330 4.332 3.082 4.787 . 0 0 "[ . 1 . 2]" 1
1011 1 123 SER HB3 1 128 SER QB 3.920 . 3.920 3.283 2.589 3.993 0.073 5 0 "[ . 1 . 2]" 1
1012 1 123 SER HB3 1 129 ASP H 5.960 . 5.960 5.573 4.330 6.078 0.118 17 0 "[ . 1 . 2]" 1
1013 1 124 ASN H 1 126 ASN H 4.890 . 4.890 4.407 3.818 4.789 . 0 0 "[ . 1 . 2]" 1
1014 1 124 ASN H 1 127 ASP H 4.220 . 4.220 3.834 3.149 4.250 0.030 9 0 "[ . 1 . 2]" 1
1015 1 124 ASN H 1 127 ASP HA 5.230 . 5.230 5.000 4.745 5.265 0.035 19 0 "[ . 1 . 2]" 1
1016 1 124 ASN H 1 128 SER HA 4.560 . 4.560 3.277 3.031 3.459 . 0 0 "[ . 1 . 2]" 1
1017 1 124 ASN H 1 128 SER QB 5.080 . 5.080 3.767 2.762 4.878 . 0 0 "[ . 1 . 2]" 1
1018 1 124 ASN H 1 129 ASP H 6.040 . 6.040 5.099 4.794 5.411 . 0 0 "[ . 1 . 2]" 1
1019 1 124 ASN HA 1 125 GLU QB 4.820 . 4.820 4.530 4.277 4.721 . 0 0 "[ . 1 . 2]" 1
1020 1 124 ASN HA 1 126 ASN H 5.410 . 5.410 4.244 4.106 4.420 . 0 0 "[ . 1 . 2]" 1
1021 1 124 ASN QB 1 125 GLU H 4.550 . 4.550 3.094 2.519 3.351 . 0 0 "[ . 1 . 2]" 1
1022 1 124 ASN QB 1 125 GLU HA 5.480 . 5.480 4.768 4.477 5.063 . 0 0 "[ . 1 . 2]" 1
1023 1 124 ASN QB 1 126 ASN H 5.260 . 5.260 2.749 2.055 3.433 . 0 0 "[ . 1 . 2]" 1
1024 1 124 ASN QB 1 127 ASP QB 5.660 . 5.660 4.258 3.971 4.766 . 0 0 "[ . 1 . 2]" 1
1025 1 125 GLU H 1 125 GLU QG 4.760 . 4.760 2.241 1.639 4.004 . 0 0 "[ . 1 . 2]" 1
1026 1 125 GLU H 1 126 ASN H 4.820 . 4.820 2.474 2.372 2.610 . 0 0 "[ . 1 . 2]" 1
1027 1 125 GLU H 1 126 ASN HA 5.600 . 5.600 5.078 5.009 5.204 . 0 0 "[ . 1 . 2]" 1
1028 1 125 GLU HA 1 125 GLU QG 3.920 . 3.920 3.307 2.635 3.508 . 0 0 "[ . 1 . 2]" 1
1029 1 125 GLU QB 1 126 ASN H 4.190 . 4.190 3.648 2.793 3.841 . 0 0 "[ . 1 . 2]" 1
1030 1 125 GLU QG 1 126 ASN H 4.050 . 4.050 2.913 2.543 4.002 . 0 0 "[ . 1 . 2]" 1
1031 1 125 GLU HG2 1 126 ASN H 4.740 . 4.740 3.337 2.733 4.913 0.173 11 0 "[ . 1 . 2]" 1
1032 1 125 GLU HG3 1 126 ASN H 4.740 . 4.740 3.410 2.665 4.819 0.079 18 0 "[ . 1 . 2]" 1
1033 1 126 ASN H 1 126 ASN QB 3.640 . 3.640 2.369 2.251 2.505 . 0 0 "[ . 1 . 2]" 1
1034 1 126 ASN H 1 126 ASN QD 5.010 . 5.010 3.799 2.451 4.579 . 0 0 "[ . 1 . 2]" 1
1035 1 126 ASN H 1 127 ASP H 3.200 . 3.200 2.418 2.261 2.571 . 0 0 "[ . 1 . 2]" 1
1036 1 126 ASN QB 1 127 ASP H 3.600 . 3.600 2.258 2.114 2.457 . 0 0 "[ . 1 . 2]" 1
1037 1 126 ASN QD 1 127 ASP H 6.100 . 6.100 4.043 3.690 4.671 . 0 0 "[ . 1 . 2]" 1
1038 1 127 ASP H 1 127 ASP QB 3.770 . 3.770 2.762 2.654 2.864 . 0 0 "[ . 1 . 2]" 1
1039 1 127 ASP H 1 128 SER H 4.840 . 4.840 4.382 4.329 4.429 . 0 0 "[ . 1 . 2]" 1
1040 1 127 ASP HA 1 128 SER H 3.180 . 3.180 2.494 2.367 2.592 . 0 0 "[ . 1 . 2]" 1
1041 1 127 ASP QB 1 128 SER H 3.620 . 3.620 2.928 2.150 3.435 . 0 0 "[ . 1 . 2]" 1
1042 1 127 ASP HB2 1 128 SER H 4.210 . 4.210 3.849 3.495 4.067 . 0 0 "[ . 1 . 2]" 1
1043 1 127 ASP HB3 1 128 SER H 4.210 . 4.210 3.069 2.170 3.744 . 0 0 "[ . 1 . 2]" 1
1044 1 128 SER H 1 128 SER QB 3.800 . 3.800 2.923 2.521 3.234 . 0 0 "[ . 1 . 2]" 1
1045 1 128 SER H 1 129 ASP H 4.920 . 4.920 4.375 4.259 4.444 . 0 0 "[ . 1 . 2]" 1
1046 1 128 SER HA 1 129 ASP H 3.330 . 3.330 2.208 2.153 2.293 . 0 0 "[ . 1 . 2]" 1
1047 1 128 SER QB 1 129 ASP H 3.740 . 3.740 2.987 2.760 3.125 . 0 0 "[ . 1 . 2]" 1
1048 1 129 ASP H 1 130 SER H 4.840 . 4.840 4.396 4.329 4.480 . 0 0 "[ . 1 . 2]" 1
1049 1 129 ASP H 1 130 SER HA 6.300 . 6.300 4.831 4.725 4.961 . 0 0 "[ . 1 . 2]" 1
1050 1 129 ASP H 1 130 SER QB 5.430 . 5.430 5.145 4.829 5.640 0.210 5 0 "[ . 1 . 2]" 1
1051 1 129 ASP HA 1 130 SER H 2.820 . 2.820 2.234 2.180 2.350 . 0 0 "[ . 1 . 2]" 1
1052 1 129 ASP HA 1 130 SER HA 5.050 . 5.050 4.412 4.383 4.445 . 0 0 "[ . 1 . 2]" 1
1053 1 129 ASP HA 1 130 SER QB 4.660 . 4.660 4.398 4.001 4.584 . 0 0 "[ . 1 . 2]" 1
1054 1 129 ASP HB2 1 130 SER H 4.380 . 4.380 4.172 2.547 4.379 . 0 0 "[ . 1 . 2]" 1
1055 1 129 ASP HB3 1 130 SER H 4.380 . 4.380 3.967 2.938 4.113 . 0 0 "[ . 1 . 2]" 1
1056 1 130 SER H 1 130 SER QB 3.530 . 3.530 2.964 2.520 3.175 . 0 0 "[ . 1 . 2]" 1
1057 1 130 SER H 1 131 ALA H 4.860 . 4.860 4.360 4.255 4.427 . 0 0 "[ . 1 . 2]" 1
1058 1 130 SER H 1 131 ALA HA 5.300 . 5.300 4.940 4.826 5.043 . 0 0 "[ . 1 . 2]" 1
1059 1 130 SER HA 1 131 ALA H 3.110 . 3.110 2.170 2.110 2.231 . 0 0 "[ . 1 . 2]" 1
1060 1 130 SER HA 1 131 ALA MB 5.480 . 5.480 3.988 3.927 4.022 . 0 0 "[ . 1 . 2]" 1
1061 1 130 SER QB 1 131 ALA H 3.620 . 3.620 2.992 2.669 3.604 . 0 0 "[ . 1 . 2]" 1
1062 1 130 SER QB 1 131 ALA HA 6.300 . 6.300 4.189 4.012 4.389 . 0 0 "[ . 1 . 2]" 1
1063 1 130 SER QB 1 131 ALA MB 6.300 . 6.300 4.582 4.481 4.879 . 0 0 "[ . 1 . 2]" 1
1064 1 131 ALA HA 1 132 SER H 2.840 . 2.840 2.237 2.049 2.373 . 0 0 "[ . 1 . 2]" 1
1065 1 131 ALA HA 1 132 SER HA 5.940 . 5.940 4.411 4.322 4.479 . 0 0 "[ . 1 . 2]" 1
1066 1 131 ALA HA 1 132 SER HB2 5.160 . 5.160 4.244 4.086 4.506 . 0 0 "[ . 1 . 2]" 1
1067 1 131 ALA HA 1 132 SER QB 4.500 . 4.500 3.971 3.811 4.288 . 0 0 "[ . 1 . 2]" 1
1068 1 131 ALA HA 1 132 SER HB3 5.160 . 5.160 4.840 4.376 5.506 0.346 16 0 "[ . 1 . 2]" 1
1069 1 131 ALA MB 1 132 SER H 3.280 . 3.280 2.725 2.480 2.961 . 0 0 "[ . 1 . 2]" 1
1070 1 131 ALA MB 1 132 SER HA 5.790 . 5.790 4.001 3.783 4.142 . 0 0 "[ . 1 . 2]" 1
1071 1 131 ALA MB 1 132 SER QB 6.100 . 6.100 4.475 4.308 4.753 . 0 0 "[ . 1 . 2]" 1
1072 1 131 ALA MB 1 133 VAL QG 6.300 . 6.300 4.501 3.514 5.105 . 0 0 "[ . 1 . 2]" 1
1073 1 132 SER H 1 132 SER HB2 4.170 . 4.170 3.005 2.608 3.345 . 0 0 "[ . 1 . 2]" 1
1074 1 132 SER H 1 132 SER QB 3.600 . 3.600 2.656 2.561 2.742 . 0 0 "[ . 1 . 2]" 1
1075 1 132 SER H 1 132 SER HB3 4.170 . 4.170 3.154 2.742 3.805 . 0 0 "[ . 1 . 2]" 1
1076 1 132 SER H 1 133 VAL H 4.750 . 4.750 4.351 4.175 4.448 . 0 0 "[ . 1 . 2]" 1
1077 1 132 SER H 1 133 VAL HA 5.190 . 5.190 4.745 4.611 4.897 . 0 0 "[ . 1 . 2]" 1
1078 1 132 SER HA 1 133 VAL H 3.210 . 3.210 2.273 2.177 2.376 . 0 0 "[ . 1 . 2]" 1
1079 1 132 SER HA 1 133 VAL HA 5.790 . 5.790 4.432 4.391 4.466 . 0 0 "[ . 1 . 2]" 1
1080 1 132 SER HA 1 133 VAL QG 5.340 . 5.340 3.680 3.328 4.033 . 0 0 "[ . 1 . 2]" 1
1081 1 132 SER QB 1 133 VAL H 3.640 . 3.640 3.346 2.746 3.683 0.043 15 0 "[ . 1 . 2]" 1
1082 1 132 SER QB 1 133 VAL HA 5.190 . 5.190 4.266 3.925 4.459 . 0 0 "[ . 1 . 2]" 1
1083 1 132 SER QB 1 133 VAL QG 4.940 . 4.940 4.575 4.329 4.848 . 0 0 "[ . 1 . 2]" 1
1084 1 132 SER HB2 1 133 VAL H 4.320 . 4.320 4.100 3.779 4.272 . 0 0 "[ . 1 . 2]" 1
1085 1 132 SER HB3 1 133 VAL H 4.320 . 4.320 3.581 2.813 4.082 . 0 0 "[ . 1 . 2]" 1
1086 1 133 VAL H 1 133 VAL QG 3.600 . 3.600 2.471 2.221 2.950 . 0 0 "[ . 1 . 2]" 1
1087 1 133 VAL H 1 134 THR H 5.420 . 5.420 4.315 4.208 4.451 . 0 0 "[ . 1 . 2]" 1
1088 1 133 VAL H 1 135 ILE HG12 6.260 . 6.260 5.091 4.791 5.368 . 0 0 "[ . 1 . 2]" 1
1089 1 133 VAL HA 1 134 THR H 3.040 . 3.040 2.189 2.118 2.314 . 0 0 "[ . 1 . 2]" 1
1090 1 133 VAL HA 1 134 THR HA 5.550 . 5.550 4.354 4.319 4.411 . 0 0 "[ . 1 . 2]" 1
1091 1 133 VAL HA 1 134 THR HB 5.070 . 5.070 4.704 4.563 4.945 . 0 0 "[ . 1 . 2]" 1
1092 1 133 VAL HA 1 134 THR MG 5.990 . 5.990 5.406 5.249 5.485 . 0 0 "[ . 1 . 2]" 1
1093 1 133 VAL HB 1 134 THR H 4.290 . 4.290 3.964 2.465 4.248 . 0 0 "[ . 1 . 2]" 1
1094 1 133 VAL HB 1 135 ILE HG12 6.300 . 6.300 5.601 3.455 6.246 . 0 0 "[ . 1 . 2]" 1
1095 1 133 VAL QG 1 134 THR H 3.430 . 3.430 2.520 2.146 3.181 . 0 0 "[ . 1 . 2]" 1
1096 1 133 VAL QG 1 134 THR HA 5.430 . 5.430 3.797 3.649 4.031 . 0 0 "[ . 1 . 2]" 1
1097 1 133 VAL QG 1 134 THR HB 4.770 . 4.770 4.062 3.652 4.883 0.113 5 0 "[ . 1 . 2]" 1
1098 1 133 VAL QG 1 135 ILE H 5.730 . 5.730 3.879 3.592 4.085 . 0 0 "[ . 1 . 2]" 1
1099 1 133 VAL QG 1 135 ILE HB 6.300 . 6.300 4.847 4.549 5.102 . 0 0 "[ . 1 . 2]" 1
1100 1 133 VAL QG 1 135 ILE MD 3.310 . 3.310 1.942 1.751 2.110 . 0 0 "[ . 1 . 2]" 1
1101 1 133 VAL QG 1 135 ILE HG12 4.800 . 4.800 3.047 2.667 3.452 . 0 0 "[ . 1 . 2]" 1
1102 1 133 VAL QG 1 135 ILE HG13 4.280 . 4.280 3.835 3.456 4.286 0.006 17 0 "[ . 1 . 2]" 1
1103 1 133 VAL QG 1 135 ILE MG 5.570 . 5.570 4.242 4.029 4.550 . 0 0 "[ . 1 . 2]" 1
1104 1 134 THR H 1 134 THR HB 3.530 . 3.530 2.558 2.437 2.823 . 0 0 "[ . 1 . 2]" 1
1105 1 134 THR H 1 134 THR MG 4.210 . 4.210 3.770 3.733 3.806 . 0 0 "[ . 1 . 2]" 1
1106 1 134 THR H 1 135 ILE H 5.130 . 5.130 4.346 4.244 4.448 . 0 0 "[ . 1 . 2]" 1
1107 1 134 THR HA 1 135 ILE H 3.340 . 3.340 2.121 2.083 2.174 . 0 0 "[ . 1 . 2]" 1
1108 1 134 THR HB 1 135 ILE H 5.590 . 5.590 4.278 4.121 4.405 . 0 0 "[ . 1 . 2]" 1
1109 1 134 THR HB 1 135 ILE HA 6.200 . 6.200 4.949 4.807 5.036 . 0 0 "[ . 1 . 2]" 1
1110 1 134 THR HB 1 135 ILE MD 6.060 . 6.060 5.237 5.004 5.419 . 0 0 "[ . 1 . 2]" 1
1111 1 134 THR MG 1 135 ILE H 3.970 . 3.970 3.048 2.809 3.240 . 0 0 "[ . 1 . 2]" 1
1112 1 135 ILE H 1 135 ILE HB 4.020 . 4.020 2.645 2.584 2.745 . 0 0 "[ . 1 . 2]" 1
1113 1 135 ILE H 1 135 ILE MD 5.160 . 5.160 3.255 3.162 3.385 . 0 0 "[ . 1 . 2]" 1
1114 1 135 ILE H 1 135 ILE HG12 4.580 . 4.580 2.319 2.224 2.447 . 0 0 "[ . 1 . 2]" 1
1115 1 135 ILE H 1 135 ILE HG13 4.910 . 4.910 3.796 3.735 3.908 . 0 0 "[ . 1 . 2]" 1
1116 1 135 ILE H 1 135 ILE MG 4.650 . 4.650 3.841 3.818 3.886 . 0 0 "[ . 1 . 2]" 1
1117 1 135 ILE HA 1 135 ILE MD 3.730 . 3.730 2.226 2.113 2.333 . 0 0 "[ . 1 . 2]" 1
1118 1 135 ILE HA 1 136 ARG H 3.170 . 3.170 2.178 2.132 2.212 . 0 0 "[ . 1 . 2]" 1
1119 1 135 ILE MD 1 135 ILE MG 3.230 . 3.230 2.066 2.025 2.111 . 0 0 "[ . 1 . 2]" 1
1120 1 135 ILE MD 1 136 ARG H 4.110 . 4.110 3.994 3.838 4.134 0.024 4 0 "[ . 1 . 2]" 1
1121 1 135 ILE HG12 1 135 ILE MG 3.630 . 3.630 3.211 3.202 3.217 . 0 0 "[ . 1 . 2]" 1
1122 1 135 ILE MG 1 136 ARG H 3.890 . 3.890 2.788 2.520 3.082 . 0 0 "[ . 1 . 2]" 1
1123 1 135 ILE MG 1 137 ALA HA 4.790 . 4.790 4.402 3.916 4.809 0.019 10 0 "[ . 1 . 2]" 1
1124 1 136 ARG H 1 136 ARG QB 3.710 . 3.710 2.452 2.348 2.629 . 0 0 "[ . 1 . 2]" 1
1125 1 136 ARG H 1 136 ARG QG 4.530 . 4.530 3.169 2.542 4.067 . 0 0 "[ . 1 . 2]" 1
1126 1 136 ARG H 1 137 ALA H 4.880 . 4.880 4.265 4.042 4.426 . 0 0 "[ . 1 . 2]" 1
1127 1 136 ARG H 1 137 ALA HA 6.110 . 6.110 4.943 4.810 5.133 . 0 0 "[ . 1 . 2]" 1
1128 1 136 ARG HA 1 137 ALA H 3.020 . 3.020 2.110 2.047 2.186 . 0 0 "[ . 1 . 2]" 1
1129 1 136 ARG HA 1 137 ALA HA 5.750 . 5.750 4.371 4.338 4.397 . 0 0 "[ . 1 . 2]" 1
1130 1 136 ARG HA 1 137 ALA MB 6.060 . 6.060 4.025 3.954 4.108 . 0 0 "[ . 1 . 2]" 1
1131 1 136 ARG QB 1 137 ALA H 4.190 . 4.190 3.447 3.123 3.933 . 0 0 "[ . 1 . 2]" 1
1132 1 136 ARG QB 1 138 LEU MD1 6.300 . 6.300 5.067 4.003 5.972 . 0 0 "[ . 1 . 2]" 1
1133 1 136 ARG QG 1 137 ALA H 4.790 . 4.790 3.913 2.908 4.382 . 0 0 "[ . 1 . 2]" 1
1134 1 136 ARG HG2 1 137 ALA H 5.470 . 5.470 4.318 3.193 5.015 . 0 0 "[ . 1 . 2]" 1
1135 1 136 ARG HG3 1 137 ALA H 5.470 . 5.470 4.574 3.233 5.416 . 0 0 "[ . 1 . 2]" 1
1136 1 137 ALA H 1 137 ALA MB 3.340 . 3.340 2.393 2.324 2.482 . 0 0 "[ . 1 . 2]" 1
1137 1 137 ALA HA 1 138 LEU H 3.310 . 3.310 2.125 2.060 2.248 . 0 0 "[ . 1 . 2]" 1
1138 1 137 ALA HA 1 138 LEU MD1 6.300 . 6.300 4.908 4.353 5.376 . 0 0 "[ . 1 . 2]" 1
1139 1 137 ALA HA 1 138 LEU HG 5.050 . 5.050 3.780 3.533 4.107 . 0 0 "[ . 1 . 2]" 1
1140 1 137 ALA MB 1 138 LEU H 4.220 . 4.220 3.181 2.715 3.357 . 0 0 "[ . 1 . 2]" 1
1141 1 137 ALA MB 1 138 LEU HA 4.850 . 4.850 4.326 4.179 4.564 . 0 0 "[ . 1 . 2]" 1
1142 1 138 LEU H 1 138 LEU MD1 4.540 . 4.540 3.416 2.662 3.916 . 0 0 "[ . 1 . 2]" 1
1143 1 138 LEU H 1 138 LEU MD2 4.420 . 4.420 3.524 3.259 3.869 . 0 0 "[ . 1 . 2]" 1
1144 1 138 LEU H 1 138 LEU HG 4.490 . 4.490 2.358 1.824 2.861 . 0 0 "[ . 1 . 2]" 1
1145 1 138 LEU H 1 139 GLU H 4.920 . 4.920 4.485 4.389 4.561 . 0 0 "[ . 1 . 2]" 1
1146 1 138 LEU HA 1 138 LEU MD2 3.480 . 3.480 2.755 1.930 3.915 0.435 12 0 "[ . 1 . 2]" 1
1147 1 138 LEU HA 1 139 GLU H 3.170 . 3.170 2.300 2.064 2.624 . 0 0 "[ . 1 . 2]" 1
1148 1 138 LEU QB 1 139 GLU H 4.030 . 4.030 2.495 1.875 3.186 . 0 0 "[ . 1 . 2]" 1
1149 1 138 LEU QB 1 139 GLU QB 5.030 . 5.030 4.426 3.821 5.160 0.130 8 0 "[ . 1 . 2]" 1
1150 1 138 LEU HB2 1 139 GLU H 4.640 . 4.640 3.185 1.887 4.234 . 0 0 "[ . 1 . 2]" 1
1151 1 138 LEU HB3 1 139 GLU H 4.640 . 4.640 3.057 2.356 3.384 . 0 0 "[ . 1 . 2]" 1
1152 1 138 LEU MD1 1 139 GLU H 5.110 . 5.110 4.126 3.036 5.029 . 0 0 "[ . 1 . 2]" 1
1153 1 138 LEU MD2 1 139 GLU H 4.130 . 4.130 3.693 3.213 4.257 0.127 17 0 "[ . 1 . 2]" 1
1154 1 138 LEU MD2 1 139 GLU HA 5.520 . 5.520 5.666 5.462 5.935 0.415 9 0 "[ . 1 . 2]" 1
1155 1 138 LEU HG 1 139 GLU H 5.180 . 5.180 4.813 4.324 5.102 . 0 0 "[ . 1 . 2]" 1
1156 1 139 GLU H 1 139 GLU QB 3.390 . 3.390 2.518 2.116 3.023 . 0 0 "[ . 1 . 2]" 1
1157 1 139 GLU H 1 139 GLU QG 4.400 . 4.400 2.987 1.720 4.205 . 0 0 "[ . 1 . 2]" 1
1158 1 139 GLU HA 1 140 HIS H 3.650 . 3.650 2.192 2.085 2.363 . 0 0 "[ . 1 . 2]" 1
1159 1 139 GLU HA 1 140 HIS QB 4.790 . 4.790 4.334 4.023 4.713 . 0 0 "[ . 1 . 2]" 1
1160 1 139 GLU QB 1 140 HIS H 4.500 . 4.500 3.249 2.432 3.980 . 0 0 "[ . 1 . 2]" 1
1161 1 139 GLU QG 1 140 HIS H 4.560 . 4.560 3.699 2.426 4.613 0.053 6 0 "[ . 1 . 2]" 1
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