NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655717 |
7knv   |
30812 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7knv
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 1456
_Distance_constraint_stats_list.Viol_count 2226
_Distance_constraint_stats_list.Viol_total 3219.844
_Distance_constraint_stats_list.Viol_max 0.506
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0723
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.009 0.009 8 0 "[ . 1 . 2]"
1 2 ALA 0.126 0.068 20 0 "[ . 1 . 2]"
1 3 SER 0.843 0.127 20 0 "[ . 1 . 2]"
1 4 ASP 0.440 0.068 20 0 "[ . 1 . 2]"
1 5 TYR 1.933 0.181 11 0 "[ . 1 . 2]"
1 6 LYS 0.465 0.093 19 0 "[ . 1 . 2]"
1 7 ASP 1.015 0.181 11 0 "[ . 1 . 2]"
1 8 ASP 0.207 0.093 19 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 HIS 5.922 0.265 6 0 "[ . 1 . 2]"
1 14 LEU 4.540 0.296 12 0 "[ . 1 . 2]"
1 15 ILE 4.655 0.351 18 0 "[ . 1 . 2]"
1 16 LEU 0.816 0.122 11 0 "[ . 1 . 2]"
1 17 LEU 0.618 0.061 20 0 "[ . 1 . 2]"
1 18 PRO 0.199 0.062 2 0 "[ . 1 . 2]"
1 19 ALA 2.217 0.156 18 0 "[ . 1 . 2]"
1 20 THR 0.200 0.056 10 0 "[ . 1 . 2]"
1 21 GLY 2.495 0.167 17 0 "[ . 1 . 2]"
1 22 ASN 0.736 0.113 8 0 "[ . 1 . 2]"
1 23 VAL 2.336 0.333 20 0 "[ . 1 . 2]"
1 24 ALA 1.892 0.199 10 0 "[ . 1 . 2]"
1 25 GLU 0.836 0.177 8 0 "[ . 1 . 2]"
1 26 ASN 3.222 0.306 8 0 "[ . 1 . 2]"
1 27 SER 3.810 0.245 5 0 "[ . 1 . 2]"
1 29 PRO 1.979 0.255 3 0 "[ . 1 . 2]"
1 30 GLY 2.315 0.179 1 0 "[ . 1 . 2]"
1 31 THR 0.946 0.137 19 0 "[ . 1 . 2]"
1 32 SER 0.096 0.031 2 0 "[ . 1 . 2]"
1 33 VAL 2.591 0.333 20 0 "[ . 1 . 2]"
1 34 HIS 3.861 0.187 2 0 "[ . 1 . 2]"
1 35 LYS 2.688 0.269 1 0 "[ . 1 . 2]"
1 36 PHE 2.171 0.260 20 0 "[ . 1 . 2]"
1 37 SER 5.952 0.181 17 0 "[ . 1 . 2]"
1 38 VAL 2.604 0.351 18 0 "[ . 1 . 2]"
1 39 LYS 9.278 0.296 12 0 "[ . 1 . 2]"
1 40 LEU 1.063 0.290 17 0 "[ . 1 . 2]"
1 41 SER 2.397 0.290 17 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 1.449 0.386 15 0 "[ . 1 . 2]"
1 44 LEU 1.984 0.386 15 0 "[ . 1 . 2]"
1 45 SER 1.362 0.147 12 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.346 0.125 5 0 "[ . 1 . 2]"
1 48 ILE 1.009 0.178 18 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.065 0.065 17 0 "[ . 1 . 2]"
1 52 PRO 4.755 0.263 2 0 "[ . 1 . 2]"
1 53 GLN 10.474 0.293 2 0 "[ . 1 . 2]"
1 54 ILE 2.751 0.304 11 0 "[ . 1 . 2]"
1 55 VAL 1.353 0.088 5 0 "[ . 1 . 2]"
1 56 ASN 7.445 0.225 20 0 "[ . 1 . 2]"
1 57 SER 1.837 0.223 10 0 "[ . 1 . 2]"
1 58 ASN 1.667 0.172 3 0 "[ . 1 . 2]"
1 59 PRO 0.240 0.055 7 0 "[ . 1 . 2]"
1 60 LEU 0.356 0.114 18 0 "[ . 1 . 2]"
1 61 THR 0.310 0.114 18 0 "[ . 1 . 2]"
1 62 GLU 0.797 0.207 17 0 "[ . 1 . 2]"
1 63 ALA 0.970 0.163 6 0 "[ . 1 . 2]"
1 64 PHE 4.060 0.267 11 0 "[ . 1 . 2]"
1 65 ARG 9.669 0.506 2 1 "[ + . 1 . 2]"
1 66 VAL 4.178 0.267 11 0 "[ . 1 . 2]"
1 67 ASN 4.098 0.274 17 0 "[ . 1 . 2]"
1 68 TRP 0.256 0.112 2 0 "[ . 1 . 2]"
1 69 LEU 3.959 0.231 15 0 "[ . 1 . 2]"
1 70 SER 0.379 0.076 8 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 2.114 0.178 18 0 "[ . 1 . 2]"
1 73 TYR 2.264 0.206 8 0 "[ . 1 . 2]"
1 74 PHE 4.190 0.274 17 0 "[ . 1 . 2]"
1 75 GLU 7.617 0.269 1 0 "[ . 1 . 2]"
1 76 VAL 2.132 0.105 18 0 "[ . 1 . 2]"
1 77 VAL 10.002 0.506 2 1 "[ + . 1 . 2]"
1 78 THR 4.028 0.180 5 0 "[ . 1 . 2]"
1 79 THR 2.301 0.255 3 0 "[ . 1 . 2]"
1 80 GLY 1.952 0.246 3 0 "[ . 1 . 2]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 1.064 0.153 12 0 "[ . 1 . 2]"
1 83 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 1.947 0.245 5 0 "[ . 1 . 2]"
1 85 ASP 0.051 0.050 5 0 "[ . 1 . 2]"
1 86 PHE 0.732 0.237 12 0 "[ . 1 . 2]"
1 87 GLU 0.540 0.143 7 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 2.133 0.226 3 0 "[ . 1 . 2]"
1 90 PRO 1.593 0.226 3 0 "[ . 1 . 2]"
1 91 ASN 4.353 0.237 12 0 "[ . 1 . 2]"
1 92 ILE 3.384 0.201 19 0 "[ . 1 . 2]"
1 93 PHE 5.958 0.225 18 0 "[ . 1 . 2]"
1 94 ASP 2.334 0.136 3 0 "[ . 1 . 2]"
1 95 LEU 5.262 0.199 20 0 "[ . 1 . 2]"
1 96 GLN 3.827 0.121 12 0 "[ . 1 . 2]"
1 97 ILE 9.198 0.209 14 0 "[ . 1 . 2]"
1 98 TYR 9.946 0.293 2 0 "[ . 1 . 2]"
1 99 VAL 11.710 0.311 9 0 "[ . 1 . 2]"
1 100 LYS 5.248 0.181 13 0 "[ . 1 . 2]"
1 101 ASP 0.981 0.141 11 0 "[ . 1 . 2]"
1 102 GLU 2.415 0.178 18 0 "[ . 1 . 2]"
1 103 VAL 2.672 0.115 2 0 "[ . 1 . 2]"
1 104 GLY 3.096 0.115 2 0 "[ . 1 . 2]"
1 105 VAL 3.141 0.181 13 0 "[ . 1 . 2]"
1 106 THR 4.736 0.255 9 0 "[ . 1 . 2]"
1 107 ASP 10.586 0.311 9 0 "[ . 1 . 2]"
1 108 LEU 4.617 0.225 20 0 "[ . 1 . 2]"
1 109 GLN 1.040 0.178 3 0 "[ . 1 . 2]"
1 110 VAL 2.924 0.178 3 0 "[ . 1 . 2]"
1 111 LEU 6.859 0.230 17 0 "[ . 1 . 2]"
1 112 THR 8.650 0.225 18 0 "[ . 1 . 2]"
1 113 VAL 6.667 0.230 17 0 "[ . 1 . 2]"
1 114 GLN 5.633 0.201 19 0 "[ . 1 . 2]"
1 115 VAL 3.652 0.198 2 0 "[ . 1 . 2]"
1 116 THR 1.006 0.177 8 0 "[ . 1 . 2]"
1 117 ASP 0.166 0.075 6 0 "[ . 1 . 2]"
1 118 VAL 2.883 0.306 8 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 THR 0.308 0.163 18 0 "[ . 1 . 2]"
1 126 LYS 0.308 0.163 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ALA H 5.300 . 5.300 2.974 2.114 3.588 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 ALA HA 4.820 . 4.820 4.627 4.345 4.829 0.009 8 0 "[ . 1 . 2]" 1
3 1 1 MET HB3 1 2 ALA H 5.350 . 5.350 3.325 1.990 4.651 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 3 SER H 5.300 . 5.300 2.826 1.857 4.630 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA H 1 4 ASP H 5.070 . 5.070 4.242 2.730 5.138 0.068 20 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 SER H 5.260 . 5.260 3.268 2.254 3.578 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 3 SER HA 5.000 . 5.000 4.750 4.295 4.874 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA HA 1 3 SER QB 6.160 . 6.160 5.186 4.385 5.495 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA HA 1 4 ASP H 5.000 . 5.000 4.191 3.225 4.573 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 4 ASP H 6.020 . 6.020 4.256 2.322 4.789 . 0 0 "[ . 1 . 2]" 1
11 1 3 SER H 1 4 ASP H 4.870 . 4.870 2.707 2.643 2.846 . 0 0 "[ . 1 . 2]" 1
12 1 3 SER H 1 5 TYR HB2 6.160 . 6.160 5.611 4.940 6.169 0.009 19 0 "[ . 1 . 2]" 1
13 1 3 SER H 1 5 TYR HB3 5.930 . 5.930 5.385 5.035 5.859 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER HA 1 4 ASP H 4.720 . 4.720 3.528 3.467 3.580 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER HA 1 5 TYR H 4.160 . 4.160 3.916 3.475 4.233 0.073 1 0 "[ . 1 . 2]" 1
16 1 3 SER HA 1 5 TYR HB2 6.170 . 6.170 5.843 5.241 6.252 0.082 6 0 "[ . 1 . 2]" 1
17 1 3 SER HA 1 5 TYR HB3 5.000 . 5.000 4.906 4.461 5.127 0.127 20 0 "[ . 1 . 2]" 1
18 1 3 SER QB 1 5 TYR H 5.630 . 5.630 4.644 4.365 5.102 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASP H 1 5 TYR HA 5.260 . 5.260 5.175 4.972 5.292 0.032 8 0 "[ . 1 . 2]" 1
20 1 4 ASP HA 1 5 TYR H 3.610 . 3.610 3.361 2.978 3.527 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASP HA 1 5 TYR HB2 6.240 . 6.240 5.690 5.304 5.865 . 0 0 "[ . 1 . 2]" 1
22 1 4 ASP HA 1 5 TYR HB3 5.790 . 5.790 5.718 5.542 5.845 0.055 6 0 "[ . 1 . 2]" 1
23 1 4 ASP QB 1 5 TYR H 4.840 . 4.840 3.307 2.660 3.998 . 0 0 "[ . 1 . 2]" 1
24 1 5 TYR H 1 5 TYR HB2 . . 3.800 2.602 2.424 2.988 . 0 0 "[ . 1 . 2]" 1
25 1 5 TYR H 1 5 TYR HB3 3.800 . 3.800 2.557 2.454 2.694 . 0 0 "[ . 1 . 2]" 1
26 1 5 TYR HA 1 6 LYS H 3.530 . 3.530 2.172 2.149 2.189 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HA 1 6 LYS QD 7.700 . 7.700 5.652 4.841 6.614 . 0 0 "[ . 1 . 2]" 1
28 1 5 TYR HA 1 6 LYS QE 7.590 . 7.590 6.062 4.722 7.594 0.004 13 0 "[ . 1 . 2]" 1
29 1 5 TYR HB2 1 6 LYS H 4.600 . 4.600 4.326 4.219 4.474 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR HB3 1 6 LYS H 4.600 . 4.600 4.206 4.019 4.354 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR HB3 1 7 ASP H 5.500 . 5.500 5.173 4.090 5.681 0.181 11 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 6 LYS QE 6.280 . 6.280 4.976 3.995 6.213 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 6 LYS QG 4.490 . 4.490 2.857 2.201 4.068 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS H 1 7 ASP H 5.000 . 5.000 3.362 1.778 4.522 0.022 6 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 7 ASP QB 6.770 . 6.770 4.836 3.629 6.060 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS HA 1 7 ASP H 3.600 . 3.600 2.663 2.107 3.596 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS HA 1 8 ASP H 5.000 . 5.000 3.951 3.052 5.093 0.093 19 0 "[ . 1 . 2]" 1
38 1 6 LYS HB2 1 7 ASP H 4.610 . 4.610 3.990 2.265 4.672 0.062 13 0 "[ . 1 . 2]" 1
39 1 6 LYS HB3 1 6 LYS QE 5.100 . 5.100 3.438 2.114 4.436 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS HB3 1 7 ASP H 4.570 . 4.570 4.032 2.393 4.651 0.081 12 0 "[ . 1 . 2]" 1
41 1 7 ASP H 1 7 ASP QB 3.830 . 3.830 2.703 2.291 3.374 . 0 0 "[ . 1 . 2]" 1
42 1 7 ASP HA 1 8 ASP H 5.000 . 5.000 2.935 2.180 3.575 . 0 0 "[ . 1 . 2]" 1
43 1 7 ASP QB 1 8 ASP H 4.270 . 4.270 3.759 2.744 4.071 . 0 0 "[ . 1 . 2]" 1
44 1 8 ASP H 1 8 ASP HA 3.100 . 3.100 2.887 2.802 2.956 . 0 0 "[ . 1 . 2]" 1
45 1 8 ASP HA 1 9 ASP H 5.530 . 5.530 3.343 2.496 3.557 . 0 0 "[ . 1 . 2]" 1
46 1 9 ASP QB 1 10 ASP H 5.000 . 5.000 3.107 2.624 4.013 . 0 0 "[ . 1 . 2]" 1
47 1 10 ASP H 1 10 ASP QB 3.480 . 3.480 2.428 2.202 2.737 . 0 0 "[ . 1 . 2]" 1
48 1 10 ASP H 1 11 LYS H 5.000 . 5.000 2.594 2.437 2.814 . 0 0 "[ . 1 . 2]" 1
49 1 10 ASP H 1 11 LYS QB 5.910 . 5.910 4.514 4.116 5.035 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASP H 1 11 LYS QG 6.560 . 6.560 5.014 3.346 6.248 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASP HA 1 11 LYS H 3.950 . 3.950 3.382 3.140 3.506 . 0 0 "[ . 1 . 2]" 1
52 1 10 ASP QB 1 11 LYS H 5.000 . 5.000 3.396 2.879 4.019 . 0 0 "[ . 1 . 2]" 1
53 1 11 LYS H 1 11 LYS QB 3.720 . 3.720 2.555 2.256 3.190 . 0 0 "[ . 1 . 2]" 1
54 1 11 LYS H 1 11 LYS QE 6.800 . 6.800 5.035 4.215 6.166 . 0 0 "[ . 1 . 2]" 1
55 1 11 LYS H 1 11 LYS QG . . 4.390 3.201 1.933 4.111 . 0 0 "[ . 1 . 2]" 1
56 1 11 LYS H 1 12 LEU H 5.000 . 5.000 4.436 4.068 4.631 . 0 0 "[ . 1 . 2]" 1
57 1 11 LYS HA 1 11 LYS QD 5.130 . 5.130 3.797 2.060 4.456 . 0 0 "[ . 1 . 2]" 1
58 1 11 LYS HA 1 12 LEU H 4.220 . 4.220 2.220 2.139 2.425 . 0 0 "[ . 1 . 2]" 1
59 1 11 LYS QB 1 12 LEU H 4.260 . 4.260 3.184 2.437 3.970 . 0 0 "[ . 1 . 2]" 1
60 1 11 LYS QD 1 12 LEU H 5.960 . 5.960 4.678 2.781 5.801 . 0 0 "[ . 1 . 2]" 1
61 1 11 LYS QG 1 12 LEU H 5.000 . 5.000 3.469 2.632 4.309 . 0 0 "[ . 1 . 2]" 1
62 1 12 LEU H 1 13 HIS H 5.420 . 5.420 4.560 4.427 4.629 . 0 0 "[ . 1 . 2]" 1
63 1 12 LEU HA 1 13 HIS H 4.000 . 4.000 2.232 2.127 2.380 . 0 0 "[ . 1 . 2]" 1
64 1 12 LEU HA 1 39 LYS QE 7.220 . 7.220 5.014 2.146 6.798 . 0 0 "[ . 1 . 2]" 1
65 1 12 LEU QB 1 13 HIS H 4.510 . 4.510 3.053 2.577 3.770 . 0 0 "[ . 1 . 2]" 1
66 1 12 LEU HG 1 13 HIS H 5.280 . 5.280 4.271 2.174 5.213 . 0 0 "[ . 1 . 2]" 1
67 1 13 HIS H 1 39 LYS QB 5.000 . 5.000 2.869 2.410 3.389 . 0 0 "[ . 1 . 2]" 1
68 1 13 HIS H 1 39 LYS QD 5.000 . 5.000 3.363 1.918 5.139 0.139 9 0 "[ . 1 . 2]" 1
69 1 13 HIS H 1 39 LYS QE 6.600 . 6.600 4.465 1.928 6.240 . 0 0 "[ . 1 . 2]" 1
70 1 13 HIS HA 1 14 LEU H 4.500 . 4.500 2.264 2.093 2.369 . 0 0 "[ . 1 . 2]" 1
71 1 13 HIS HA 1 14 LEU QB 5.380 . 5.380 4.337 3.921 4.708 . 0 0 "[ . 1 . 2]" 1
72 1 13 HIS HA 1 14 LEU QD 7.110 . 7.110 3.540 2.500 5.239 . 0 0 "[ . 1 . 2]" 1
73 1 13 HIS HA 1 39 LYS H 5.000 . 5.000 5.137 4.927 5.265 0.265 6 0 "[ . 1 . 2]" 1
74 1 13 HIS HA 1 39 LYS QB 6.600 . 6.600 4.608 4.138 5.024 . 0 0 "[ . 1 . 2]" 1
75 1 13 HIS HA 1 39 LYS QD 7.700 . 7.700 5.580 4.325 7.231 . 0 0 "[ . 1 . 2]" 1
76 1 13 HIS HA 1 107 ASP HB2 5.000 . 5.000 4.663 4.207 5.131 0.131 17 0 "[ . 1 . 2]" 1
77 1 13 HIS HA 1 107 ASP HB3 5.500 . 5.500 5.276 4.380 5.612 0.112 7 0 "[ . 1 . 2]" 1
78 1 13 HIS QB 1 14 LEU H 5.100 . 5.100 2.858 2.430 3.668 . 0 0 "[ . 1 . 2]" 1
79 1 13 HIS QB 1 39 LYS QB 5.000 . 5.000 4.319 3.586 5.119 0.119 2 0 "[ . 1 . 2]" 1
80 1 13 HIS QB 1 39 LYS QD 7.320 . 7.320 4.286 3.156 6.717 . 0 0 "[ . 1 . 2]" 1
81 1 13 HIS O 1 39 LYS N 3.300 . 3.300 3.387 3.087 3.534 0.234 14 0 "[ . 1 . 2]" 1
82 1 14 LEU H 1 38 VAL HA 5.500 . 5.500 4.790 4.486 4.984 . 0 0 "[ . 1 . 2]" 1
83 1 14 LEU H 1 39 LYS H 5.290 . 5.290 4.628 4.228 4.876 . 0 0 "[ . 1 . 2]" 1
84 1 14 LEU H 1 107 ASP HB3 5.000 . 5.000 5.022 4.119 5.175 0.175 16 0 "[ . 1 . 2]" 1
85 1 14 LEU HA 1 15 ILE H 4.260 . 4.260 2.193 2.131 2.270 . 0 0 "[ . 1 . 2]" 1
86 1 14 LEU HA 1 15 ILE MD 6.030 . 6.030 4.407 2.777 4.906 . 0 0 "[ . 1 . 2]" 1
87 1 14 LEU HA 1 38 VAL H 5.000 . 5.000 4.920 4.777 5.017 0.017 6 0 "[ . 1 . 2]" 1
88 1 14 LEU HA 1 38 VAL HA 5.000 . 5.000 2.074 2.006 2.228 . 0 0 "[ . 1 . 2]" 1
89 1 14 LEU HA 1 38 VAL QG 5.520 . 5.520 2.845 2.316 3.193 . 0 0 "[ . 1 . 2]" 1
90 1 14 LEU HA 1 39 LYS H 4.790 . 4.790 2.302 1.789 2.724 0.011 20 0 "[ . 1 . 2]" 1
91 1 14 LEU HA 1 39 LYS HA 5.000 . 5.000 4.856 4.363 5.148 0.148 4 0 "[ . 1 . 2]" 1
92 1 14 LEU HA 1 39 LYS QB 5.000 . 5.000 3.745 3.197 4.242 . 0 0 "[ . 1 . 2]" 1
93 1 14 LEU QB 1 15 ILE H 4.930 . 4.930 3.108 2.706 3.821 . 0 0 "[ . 1 . 2]" 1
94 1 14 LEU QB 1 38 VAL HA 4.970 . 4.970 2.975 2.045 3.875 . 0 0 "[ . 1 . 2]" 1
95 1 14 LEU QB 1 38 VAL MG1 5.000 . 5.000 3.620 2.316 5.182 0.182 17 0 "[ . 1 . 2]" 1
96 1 14 LEU QB 1 38 VAL MG2 5.000 . 5.000 3.049 2.006 5.083 0.083 8 0 "[ . 1 . 2]" 1
97 1 14 LEU QB 1 39 LYS H 5.000 . 5.000 4.155 3.316 4.839 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU HB2 1 38 VAL HA 6.600 . 6.600 3.737 2.088 4.664 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU HB3 1 15 ILE H 5.260 . 5.260 3.554 2.779 4.172 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU HB3 1 38 VAL QG 7.180 . 7.180 3.053 2.020 4.328 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU HB3 1 39 LYS H 5.690 . 5.690 4.618 3.634 5.550 . 0 0 "[ . 1 . 2]" 1
102 1 14 LEU HB3 1 99 VAL MG1 7.480 . 7.480 4.973 3.179 6.397 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU QD 1 38 VAL HA 5.000 . 5.000 3.334 2.046 3.835 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU QD 1 38 VAL HB 7.530 . 7.530 4.249 2.385 5.575 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU QD 1 38 VAL MG1 5.000 . 5.000 3.060 1.889 4.530 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU QD 1 38 VAL MG2 5.000 . 5.000 2.597 1.905 3.973 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU QD 1 39 LYS H 5.000 . 5.000 4.196 2.741 4.752 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU HG 1 38 VAL HA 4.850 . 4.850 3.330 2.076 4.886 0.036 10 0 "[ . 1 . 2]" 1
109 1 14 LEU HG 1 38 VAL MG2 7.430 . 7.430 3.306 2.010 5.056 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU HG 1 39 LYS H 5.120 . 5.120 4.494 3.531 5.416 0.296 12 0 "[ . 1 . 2]" 1
111 1 14 LEU HG 1 107 ASP HB3 7.000 . 7.000 5.407 3.538 6.706 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE H 1 15 ILE HG12 4.260 . 4.260 3.447 2.014 4.098 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE H 1 15 ILE HG13 4.260 . 4.260 2.563 2.117 3.849 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE H 1 36 PHE QB 6.800 . 6.800 5.355 4.954 5.599 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 37 SER H 4.850 . 4.850 4.266 3.938 4.546 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 37 SER HA 5.450 . 5.450 4.918 4.603 5.130 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE H 1 37 SER QB 5.150 . 5.150 3.737 3.212 4.598 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 37 SER O 2.200 . 2.200 2.177 1.922 2.283 0.083 2 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 38 VAL H 4.440 . 4.440 4.164 3.818 4.465 0.025 15 0 "[ . 1 . 2]" 1
120 1 15 ILE H 1 38 VAL HA 4.290 . 4.290 2.425 1.927 2.933 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE HA 1 16 LEU H 4.160 . 4.160 2.205 2.178 2.265 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE HA 1 17 LEU H 5.000 . 5.000 5.009 4.862 5.061 0.061 20 0 "[ . 1 . 2]" 1
123 1 15 ILE HA 1 37 SER H 6.000 . 6.000 5.312 4.914 5.446 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE HB 1 16 LEU H 4.700 . 4.700 4.012 3.635 4.144 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE HB 1 37 SER H 4.050 . 4.050 3.817 2.814 4.084 0.034 5 0 "[ . 1 . 2]" 1
126 1 15 ILE HB 1 38 VAL HA 5.140 . 5.140 4.303 3.674 5.151 0.011 11 0 "[ . 1 . 2]" 1
127 1 15 ILE HB 1 39 LYS H 6.020 . 6.020 5.016 4.385 5.704 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE MD 1 16 LEU H 6.600 . 6.600 4.821 3.795 5.116 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE MD 1 37 SER QB 6.490 . 6.490 3.273 2.600 4.691 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE MD 1 38 VAL H 5.000 . 5.000 4.269 3.287 5.351 0.351 18 0 "[ . 1 . 2]" 1
131 1 15 ILE MD 1 38 VAL HA 6.030 . 6.030 4.142 2.405 4.934 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE MD 1 39 LYS H 6.030 . 6.030 3.756 2.517 4.432 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE MD 1 39 LYS HA 5.270 . 5.270 2.637 2.003 3.331 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE MD 1 39 LYS QB 5.620 . 5.620 3.347 2.022 4.389 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE HG13 1 38 VAL HA 5.100 . 5.100 4.216 3.422 5.178 0.078 5 0 "[ . 1 . 2]" 1
136 1 15 ILE HG13 1 39 LYS H 5.360 . 5.360 3.696 2.737 4.874 . 0 0 "[ . 1 . 2]" 1
137 1 15 ILE MG 1 16 LEU H 5.340 . 5.340 2.370 2.086 2.552 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE MG 1 16 LEU HA 6.960 . 6.960 3.564 3.397 3.796 . 0 0 "[ . 1 . 2]" 1
139 1 15 ILE MG 1 16 LEU HB3 6.150 . 6.150 4.383 4.013 4.745 . 0 0 "[ . 1 . 2]" 1
140 1 15 ILE MG 1 17 LEU H 6.330 . 6.330 4.911 4.625 5.230 . 0 0 "[ . 1 . 2]" 1
141 1 15 ILE MG 1 36 PHE HA 8.060 . 8.060 5.677 4.671 6.421 . 0 0 "[ . 1 . 2]" 1
142 1 15 ILE MG 1 38 VAL HA 7.030 . 7.030 5.548 5.090 6.093 . 0 0 "[ . 1 . 2]" 1
143 1 15 ILE N 1 37 SER O 3.300 2.700 3.300 2.700 2.626 2.839 0.074 20 0 "[ . 1 . 2]" 1
144 1 15 ILE O 1 37 SER H 2.200 . 2.200 2.315 2.277 2.363 0.163 11 0 "[ . 1 . 2]" 1
145 1 15 ILE O 1 37 SER N 3.300 2.700 3.300 3.177 3.080 3.323 0.023 11 0 "[ . 1 . 2]" 1
146 1 16 LEU H 1 16 LEU HG 5.560 . 5.560 4.527 3.080 5.341 . 0 0 "[ . 1 . 2]" 1
147 1 16 LEU H 1 17 LEU H 4.240 . 4.240 3.159 3.096 3.287 . 0 0 "[ . 1 . 2]" 1
148 1 16 LEU H 1 17 LEU QD 7.730 . 7.730 4.174 3.022 5.744 . 0 0 "[ . 1 . 2]" 1
149 1 16 LEU HA 1 17 LEU H 4.240 . 4.240 2.187 2.166 2.213 . 0 0 "[ . 1 . 2]" 1
150 1 16 LEU HA 1 17 LEU HB2 5.840 . 5.840 4.617 4.367 5.755 . 0 0 "[ . 1 . 2]" 1
151 1 16 LEU HA 1 36 PHE HA 6.600 . 6.600 5.812 5.469 6.267 . 0 0 "[ . 1 . 2]" 1
152 1 16 LEU HA 1 37 SER H 5.500 . 5.500 5.415 5.127 5.599 0.099 14 0 "[ . 1 . 2]" 1
153 1 16 LEU HB2 1 36 PHE HA 4.950 . 4.950 3.378 2.789 4.102 . 0 0 "[ . 1 . 2]" 1
154 1 16 LEU HB2 1 37 SER H 4.340 . 4.340 2.935 2.534 3.679 . 0 0 "[ . 1 . 2]" 1
155 1 16 LEU HB3 1 17 LEU H 5.100 . 5.100 4.223 3.952 4.428 . 0 0 "[ . 1 . 2]" 1
156 1 16 LEU HB3 1 36 PHE HA 5.100 . 5.100 3.135 2.696 3.953 . 0 0 "[ . 1 . 2]" 1
157 1 16 LEU HB3 1 37 SER H 4.260 . 4.260 3.374 2.609 4.317 0.057 1 0 "[ . 1 . 2]" 1
158 1 16 LEU QD 1 17 LEU H 6.110 . 6.110 3.232 2.860 3.862 . 0 0 "[ . 1 . 2]" 1
159 1 16 LEU QD 1 36 PHE HA 5.000 . 5.000 3.050 2.028 4.349 . 0 0 "[ . 1 . 2]" 1
160 1 16 LEU QD 1 36 PHE QB 5.000 . 5.000 3.984 2.088 5.026 0.026 4 0 "[ . 1 . 2]" 1
161 1 16 LEU QD 1 37 SER H 5.000 . 5.000 3.625 2.045 4.500 . 0 0 "[ . 1 . 2]" 1
162 1 16 LEU HG 1 17 LEU H 5.730 . 5.730 4.765 3.648 5.493 . 0 0 "[ . 1 . 2]" 1
163 1 16 LEU HG 1 36 PHE HA 4.680 . 4.680 4.263 3.228 4.802 0.122 11 0 "[ . 1 . 2]" 1
164 1 16 LEU HG 1 36 PHE QB 6.600 . 6.600 5.206 3.476 6.092 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU H 1 17 LEU HB2 4.200 . 4.200 2.590 2.225 3.637 . 0 0 "[ . 1 . 2]" 1
166 1 17 LEU H 1 37 SER H 6.910 . 6.910 6.839 6.676 6.969 0.059 14 0 "[ . 1 . 2]" 1
167 1 17 LEU HA 1 18 PRO QD 4.850 . 4.850 2.104 2.014 2.131 . 0 0 "[ . 1 . 2]" 1
168 1 18 PRO HA 1 19 ALA H 4.040 . 4.040 3.642 3.635 3.649 . 0 0 "[ . 1 . 2]" 1
169 1 18 PRO HA 1 19 ALA MB 4.570 . 4.570 2.218 2.015 2.401 . 0 0 "[ . 1 . 2]" 1
170 1 18 PRO HA 1 20 THR H 5.000 . 5.000 4.210 4.110 4.274 . 0 0 "[ . 1 . 2]" 1
171 1 18 PRO HB2 1 19 ALA H 4.980 . 4.980 3.836 3.764 4.099 . 0 0 "[ . 1 . 2]" 1
172 1 18 PRO HB2 1 109 GLN QG 6.070 . 6.070 3.623 2.123 5.172 . 0 0 "[ . 1 . 2]" 1
173 1 18 PRO HB2 1 110 VAL H 4.300 . 4.300 3.790 3.258 4.289 . 0 0 "[ . 1 . 2]" 1
174 1 18 PRO HB2 1 110 VAL HA 6.000 . 6.000 5.578 5.291 6.030 0.030 13 0 "[ . 1 . 2]" 1
175 1 18 PRO HB2 1 110 VAL HB 6.800 . 6.800 5.811 4.985 6.677 . 0 0 "[ . 1 . 2]" 1
176 1 18 PRO HB3 1 19 ALA H 5.090 . 5.090 4.930 4.473 5.052 . 0 0 "[ . 1 . 2]" 1
177 1 18 PRO HB3 1 20 THR H 6.370 . 6.370 5.892 5.618 6.046 . 0 0 "[ . 1 . 2]" 1
178 1 18 PRO HB3 1 109 GLN HA 6.600 . 6.600 5.800 5.042 6.648 0.048 14 0 "[ . 1 . 2]" 1
179 1 18 PRO HB3 1 110 VAL H 5.690 . 5.690 5.229 4.645 5.752 0.062 2 0 "[ . 1 . 2]" 1
180 1 18 PRO HB3 1 110 VAL HA 7.700 . 7.700 6.830 6.135 7.321 . 0 0 "[ . 1 . 2]" 1
181 1 18 PRO HB3 1 111 LEU HA 6.600 . 6.600 5.388 4.511 5.881 . 0 0 "[ . 1 . 2]" 1
182 1 18 PRO QD 1 19 ALA H 6.130 . 6.130 5.375 5.238 5.459 . 0 0 "[ . 1 . 2]" 1
183 1 18 PRO QD 1 110 VAL H 6.600 . 6.600 5.628 5.047 6.443 . 0 0 "[ . 1 . 2]" 1
184 1 18 PRO QG 1 109 GLN HA 6.600 . 6.600 3.958 2.914 5.000 . 0 0 "[ . 1 . 2]" 1
185 1 18 PRO QG 1 109 GLN QB 6.000 . 6.000 2.159 1.826 2.738 . 0 0 "[ . 1 . 2]" 1
186 1 19 ALA H 1 20 THR H 4.420 . 4.420 4.105 3.923 4.273 . 0 0 "[ . 1 . 2]" 1
187 1 19 ALA H 1 112 THR H 5.990 . 5.990 4.410 3.726 4.756 . 0 0 "[ . 1 . 2]" 1
188 1 19 ALA HA 1 20 THR H 3.790 . 3.790 2.179 2.141 2.249 . 0 0 "[ . 1 . 2]" 1
189 1 19 ALA HA 1 111 LEU HA 5.500 . 5.500 4.453 4.284 4.617 . 0 0 "[ . 1 . 2]" 1
190 1 19 ALA MB 1 20 THR H 3.980 . 3.980 3.020 2.667 3.272 . 0 0 "[ . 1 . 2]" 1
191 1 19 ALA MB 1 20 THR HA 5.540 . 5.540 3.991 3.837 4.116 . 0 0 "[ . 1 . 2]" 1
192 1 19 ALA MB 1 111 LEU HA 5.000 . 5.000 1.984 1.913 2.115 . 0 0 "[ . 1 . 2]" 1
193 1 19 ALA MB 1 111 LEU HB2 7.080 . 7.080 2.619 2.084 3.533 . 0 0 "[ . 1 . 2]" 1
194 1 19 ALA MB 1 112 THR H 5.500 . 5.500 3.279 2.868 3.599 . 0 0 "[ . 1 . 2]" 1
195 1 19 ALA O 1 112 THR H 2.200 . 2.200 2.310 2.229 2.356 0.156 18 0 "[ . 1 . 2]" 1
196 1 19 ALA O 1 112 THR N 3.300 2.700 3.300 3.272 3.164 3.307 0.007 18 0 "[ . 1 . 2]" 1
197 1 20 THR H 1 20 THR HB . . 4.130 3.323 2.657 3.861 . 0 0 "[ . 1 . 2]" 1
198 1 20 THR H 1 34 HIS HB2 5.880 . 5.880 4.838 4.099 5.601 . 0 0 "[ . 1 . 2]" 1
199 1 20 THR H 1 111 LEU HA 6.000 . 6.000 4.887 4.398 5.199 . 0 0 "[ . 1 . 2]" 1
200 1 20 THR H 1 111 LEU MD2 7.700 . 7.700 4.871 2.998 5.624 . 0 0 "[ . 1 . 2]" 1
201 1 20 THR H 1 112 THR H 5.500 . 5.500 4.845 4.502 5.157 . 0 0 "[ . 1 . 2]" 1
202 1 20 THR HA 1 21 GLY H 4.430 . 4.430 2.252 2.159 2.317 . 0 0 "[ . 1 . 2]" 1
203 1 20 THR HA 1 111 LEU HA 5.000 . 5.000 4.507 3.707 4.978 . 0 0 "[ . 1 . 2]" 1
204 1 20 THR HA 1 111 LEU MD2 7.130 . 7.130 4.223 2.811 5.544 . 0 0 "[ . 1 . 2]" 1
205 1 20 THR HA 1 112 THR H 3.970 . 3.970 3.205 2.694 3.609 . 0 0 "[ . 1 . 2]" 1
206 1 20 THR HA 1 112 THR HB 7.700 . 7.700 3.588 2.773 4.383 . 0 0 "[ . 1 . 2]" 1
207 1 20 THR HA 1 113 VAL HA 6.130 . 6.130 4.811 4.335 5.277 . 0 0 "[ . 1 . 2]" 1
208 1 20 THR HB 1 21 GLY H 4.960 . 4.960 3.518 2.644 4.197 . 0 0 "[ . 1 . 2]" 1
209 1 20 THR HB 1 111 LEU HA 7.210 . 7.210 6.716 5.299 7.266 0.056 10 0 "[ . 1 . 2]" 1
210 1 20 THR MG 1 21 GLY H 4.780 . 4.780 3.348 2.577 3.848 . 0 0 "[ . 1 . 2]" 1
211 1 20 THR MG 1 114 GLN HG3 7.530 . 7.530 5.082 3.765 6.237 . 0 0 "[ . 1 . 2]" 1
212 1 21 GLY H 1 22 ASN H 5.050 . 5.050 4.418 4.324 4.474 . 0 0 "[ . 1 . 2]" 1
213 1 21 GLY H 1 93 PHE H 7.270 . 7.270 6.828 6.622 7.038 . 0 0 "[ . 1 . 2]" 1
214 1 21 GLY H 1 111 LEU HA 6.180 . 6.180 5.835 5.045 6.231 0.051 18 0 "[ . 1 . 2]" 1
215 1 21 GLY H 1 111 LEU MD2 7.140 . 7.140 4.029 2.828 5.599 . 0 0 "[ . 1 . 2]" 1
216 1 21 GLY H 1 112 THR H 5.000 . 5.000 4.442 3.991 4.839 . 0 0 "[ . 1 . 2]" 1
217 1 21 GLY H 1 112 THR HB 4.990 . 4.990 4.142 3.784 4.410 . 0 0 "[ . 1 . 2]" 1
218 1 21 GLY H 1 112 THR O 2.200 . 2.200 2.162 1.876 2.308 0.108 20 0 "[ . 1 . 2]" 1
219 1 21 GLY H 1 113 VAL H 6.040 . 6.040 4.976 4.727 5.156 . 0 0 "[ . 1 . 2]" 1
220 1 21 GLY H 1 113 VAL HA 4.370 . 4.370 3.090 2.659 3.391 . 0 0 "[ . 1 . 2]" 1
221 1 21 GLY H 1 113 VAL QG 7.090 . 7.090 3.981 3.523 4.266 . 0 0 "[ . 1 . 2]" 1
222 1 21 GLY H 1 114 GLN H 4.890 . 4.890 3.563 3.118 4.033 . 0 0 "[ . 1 . 2]" 1
223 1 21 GLY HA2 1 22 ASN H 3.960 . 3.960 2.250 2.157 2.339 . 0 0 "[ . 1 . 2]" 1
224 1 21 GLY HA2 1 22 ASN HA 5.190 . 5.190 4.484 4.436 4.519 . 0 0 "[ . 1 . 2]" 1
225 1 21 GLY HA2 1 22 ASN QB 6.000 . 6.000 4.091 3.938 4.388 . 0 0 "[ . 1 . 2]" 1
226 1 21 GLY HA2 1 33 VAL QG 7.140 . 7.140 3.063 2.028 4.146 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLY HA2 1 34 HIS HB2 5.110 . 5.110 2.642 2.089 3.163 . 0 0 "[ . 1 . 2]" 1
228 1 21 GLY HA2 1 112 THR HB 7.090 . 7.090 6.977 6.658 7.181 0.091 14 0 "[ . 1 . 2]" 1
229 1 21 GLY HA2 1 113 VAL H 6.890 . 6.890 6.931 6.701 7.057 0.167 17 0 "[ . 1 . 2]" 1
230 1 21 GLY HA2 1 113 VAL QG 7.000 . 7.000 4.083 3.604 4.547 . 0 0 "[ . 1 . 2]" 1
231 1 21 GLY HA2 1 114 GLN H 4.740 . 4.740 4.583 4.348 4.879 0.139 5 0 "[ . 1 . 2]" 1
232 1 21 GLY HA3 1 22 ASN H 4.040 . 4.040 2.975 2.793 3.139 . 0 0 "[ . 1 . 2]" 1
233 1 21 GLY HA3 1 23 VAL H 6.600 . 6.600 5.796 5.525 6.459 . 0 0 "[ . 1 . 2]" 1
234 1 21 GLY HA3 1 34 HIS H 7.370 . 7.370 5.690 5.024 6.546 . 0 0 "[ . 1 . 2]" 1
235 1 21 GLY HA3 1 112 THR H 7.000 . 7.000 5.761 5.510 6.215 . 0 0 "[ . 1 . 2]" 1
236 1 21 GLY HA3 1 114 GLN H 5.000 . 5.000 3.516 3.129 4.082 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLY N 1 112 THR O 3.300 2.700 3.300 2.760 2.678 2.903 0.022 1 0 "[ . 1 . 2]" 1
238 1 21 GLY O 1 114 GLN H 2.200 . 2.200 1.966 1.873 2.229 0.029 19 0 "[ . 1 . 2]" 1
239 1 21 GLY O 1 114 GLN N 3.300 2.700 3.300 2.866 2.716 3.074 . 0 0 "[ . 1 . 2]" 1
240 1 22 ASN H 1 23 VAL H 5.230 . 5.230 4.126 3.977 4.389 . 0 0 "[ . 1 . 2]" 1
241 1 22 ASN H 1 23 VAL MG1 7.580 . 7.580 4.375 3.107 6.009 . 0 0 "[ . 1 . 2]" 1
242 1 22 ASN H 1 33 VAL HA 6.200 . 6.200 3.896 3.046 4.870 . 0 0 "[ . 1 . 2]" 1
243 1 22 ASN H 1 33 VAL QG 6.850 . 6.850 2.829 1.812 4.178 . 0 0 "[ . 1 . 2]" 1
244 1 22 ASN H 1 34 HIS HB2 5.230 . 5.230 3.989 3.213 4.627 . 0 0 "[ . 1 . 2]" 1
245 1 22 ASN H 1 113 VAL HA 5.500 . 5.500 4.857 4.569 5.103 . 0 0 "[ . 1 . 2]" 1
246 1 22 ASN H 1 113 VAL HB 7.700 . 7.700 7.335 6.995 7.748 0.048 10 0 "[ . 1 . 2]" 1
247 1 22 ASN H 1 114 GLN HA 7.700 . 7.700 7.063 6.806 7.400 . 0 0 "[ . 1 . 2]" 1
248 1 22 ASN H 1 114 GLN HG2 7.700 . 7.700 7.646 7.203 7.813 0.113 8 0 "[ . 1 . 2]" 1
249 1 22 ASN HA 1 23 VAL H 4.390 . 4.390 2.168 2.120 2.344 . 0 0 "[ . 1 . 2]" 1
250 1 22 ASN HA 1 24 ALA H 6.450 . 6.450 6.288 6.037 6.473 0.023 6 0 "[ . 1 . 2]" 1
251 1 22 ASN HA 1 33 VAL QG 7.580 . 7.580 4.172 3.064 5.545 . 0 0 "[ . 1 . 2]" 1
252 1 22 ASN HA 1 114 GLN H 4.220 . 4.220 3.059 2.162 3.572 . 0 0 "[ . 1 . 2]" 1
253 1 22 ASN HA 1 114 GLN QB 6.420 . 6.420 2.523 2.094 2.709 . 0 0 "[ . 1 . 2]" 1
254 1 22 ASN HA 1 115 VAL H 6.750 . 6.750 5.449 5.023 6.117 . 0 0 "[ . 1 . 2]" 1
255 1 22 ASN HA 1 116 THR H 7.000 . 7.000 5.610 5.056 6.183 . 0 0 "[ . 1 . 2]" 1
256 1 22 ASN QB 1 23 VAL H 4.860 . 4.860 3.536 2.525 3.881 . 0 0 "[ . 1 . 2]" 1
257 1 22 ASN QB 1 24 ALA H 7.130 . 7.130 6.100 5.281 6.543 . 0 0 "[ . 1 . 2]" 1
258 1 22 ASN QB 1 114 GLN H 6.190 . 6.190 4.433 3.466 5.475 . 0 0 "[ . 1 . 2]" 1
259 1 22 ASN QB 1 116 THR H 8.000 . 8.000 6.433 5.007 7.249 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL H 1 24 ALA H 5.510 . 5.510 4.412 4.339 4.481 . 0 0 "[ . 1 . 2]" 1
261 1 23 VAL H 1 24 ALA HA 6.070 . 6.070 4.882 4.671 5.038 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL H 1 33 VAL HA 7.000 . 7.000 5.918 5.309 6.762 . 0 0 "[ . 1 . 2]" 1
263 1 23 VAL H 1 33 VAL HB 6.160 . 6.160 5.712 4.876 6.493 0.333 20 0 "[ . 1 . 2]" 1
264 1 23 VAL H 1 33 VAL QG 7.760 . 7.760 4.048 3.142 5.100 . 0 0 "[ . 1 . 2]" 1
265 1 23 VAL H 1 114 GLN H 5.340 . 5.340 4.339 3.746 4.773 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL H 1 114 GLN HA 6.200 . 6.200 5.484 5.013 5.724 . 0 0 "[ . 1 . 2]" 1
267 1 23 VAL H 1 114 GLN QB 5.000 . 5.000 3.796 3.341 4.046 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL H 1 114 GLN HG2 6.900 . 6.900 6.738 6.250 6.967 0.067 11 0 "[ . 1 . 2]" 1
269 1 23 VAL H 1 115 VAL HA 5.000 . 5.000 3.643 3.173 4.117 . 0 0 "[ . 1 . 2]" 1
270 1 23 VAL H 1 116 THR HA 7.700 . 7.700 6.156 5.339 6.840 . 0 0 "[ . 1 . 2]" 1
271 1 23 VAL H 1 116 THR HB 6.600 . 6.600 4.836 3.980 6.333 . 0 0 "[ . 1 . 2]" 1
272 1 23 VAL HA 1 24 ALA H 4.000 . 4.000 2.297 2.181 2.402 . 0 0 "[ . 1 . 2]" 1
273 1 23 VAL HA 1 24 ALA MB 5.580 . 5.580 4.009 3.902 4.079 . 0 0 "[ . 1 . 2]" 1
274 1 23 VAL HA 1 116 THR H 5.680 . 5.680 5.479 5.076 5.825 0.145 17 0 "[ . 1 . 2]" 1
275 1 23 VAL HB 1 24 ALA H 5.000 . 5.000 3.491 2.410 4.201 . 0 0 "[ . 1 . 2]" 1
276 1 23 VAL MG1 1 24 ALA H 5.340 . 5.340 3.485 2.178 3.797 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL MG1 1 27 SER H 6.600 . 6.600 5.972 4.375 6.785 0.185 1 0 "[ . 1 . 2]" 1
278 1 23 VAL MG1 1 116 THR H 7.330 . 7.330 4.418 2.878 6.133 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL MG2 1 115 VAL HA 7.010 . 7.010 4.173 2.231 5.839 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL MG2 1 116 THR H 7.340 . 7.340 4.427 2.587 6.137 . 0 0 "[ . 1 . 2]" 1
281 1 24 ALA H 1 27 SER QB 5.500 . 5.500 5.504 4.931 5.699 0.199 10 0 "[ . 1 . 2]" 1
282 1 24 ALA H 1 31 THR MG 5.500 . 5.500 4.968 3.824 5.570 0.070 7 0 "[ . 1 . 2]" 1
283 1 24 ALA H 1 116 THR H 5.430 . 5.430 5.199 4.805 5.436 0.006 18 0 "[ . 1 . 2]" 1
284 1 24 ALA H 1 116 THR HB 6.000 . 6.000 4.753 4.392 6.089 0.089 6 0 "[ . 1 . 2]" 1
285 1 24 ALA H 1 116 THR MG 6.000 . 6.000 5.478 4.141 5.916 . 0 0 "[ . 1 . 2]" 1
286 1 24 ALA HA 1 115 VAL HA 5.500 . 5.500 5.262 3.934 5.557 0.057 7 0 "[ . 1 . 2]" 1
287 1 24 ALA HA 1 116 THR HB 6.600 . 6.600 2.249 2.056 4.077 . 0 0 "[ . 1 . 2]" 1
288 1 24 ALA HA 1 117 ASP H 7.700 . 7.700 5.894 5.449 6.617 . 0 0 "[ . 1 . 2]" 1
289 1 24 ALA HA 1 118 VAL H 7.000 . 7.000 6.008 5.408 6.613 . 0 0 "[ . 1 . 2]" 1
290 1 24 ALA MB 1 25 GLU H 4.600 . 4.600 3.473 2.218 3.735 . 0 0 "[ . 1 . 2]" 1
291 1 24 ALA MB 1 25 GLU HA 6.080 . 6.080 4.966 4.277 5.128 . 0 0 "[ . 1 . 2]" 1
292 1 24 ALA MB 1 27 SER H 5.500 . 5.500 4.450 3.416 4.901 . 0 0 "[ . 1 . 2]" 1
293 1 24 ALA MB 1 116 THR H 6.600 . 6.600 4.957 4.060 5.267 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLU H 1 115 VAL MG2 7.700 . 7.700 5.080 4.553 6.747 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLU H 1 116 THR H 5.500 . 5.500 2.470 1.822 4.230 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLU H 1 116 THR HB 5.500 . 5.500 2.969 2.572 3.787 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLU H 1 117 ASP H 7.000 . 7.000 5.447 5.077 5.866 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLU H 1 117 ASP HA 5.830 . 5.830 5.134 4.725 5.860 0.030 17 0 "[ . 1 . 2]" 1
299 1 25 GLU H 1 118 VAL H 5.610 . 5.610 5.130 4.056 5.657 0.047 17 0 "[ . 1 . 2]" 1
300 1 25 GLU H 1 118 VAL HB 6.600 . 6.600 4.856 3.286 6.291 . 0 0 "[ . 1 . 2]" 1
301 1 25 GLU H 1 118 VAL QG 6.600 . 6.600 3.358 1.845 4.890 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLU H 1 118 VAL MG2 7.700 . 7.700 3.587 1.848 5.708 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLU HA 1 116 THR HB 5.000 . 5.000 4.879 4.450 5.177 0.177 8 0 "[ . 1 . 2]" 1
304 1 25 GLU HA 1 118 VAL H 5.590 . 5.590 4.903 4.452 5.624 0.034 8 0 "[ . 1 . 2]" 1
305 1 25 GLU HA 1 118 VAL HB 6.830 . 6.830 5.064 4.591 6.630 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLU HA 1 118 VAL QG 6.510 . 6.510 4.091 3.530 4.716 . 0 0 "[ . 1 . 2]" 1
307 1 25 GLU QB 1 86 PHE QB 5.000 . 5.000 4.103 3.323 4.798 . 0 0 "[ . 1 . 2]" 1
308 1 25 GLU QG 1 117 ASP HA 7.200 . 7.200 2.956 2.056 4.194 . 0 0 "[ . 1 . 2]" 1
309 1 26 ASN H 1 27 SER H 5.620 . 5.620 2.651 2.487 2.817 . 0 0 "[ . 1 . 2]" 1
310 1 26 ASN H 1 118 VAL H 5.500 . 5.500 5.493 5.045 5.763 0.263 16 0 "[ . 1 . 2]" 1
311 1 26 ASN H 1 118 VAL HB 5.000 . 5.000 4.960 3.956 5.306 0.306 8 0 "[ . 1 . 2]" 1
312 1 26 ASN HA 1 27 SER H 4.440 . 4.440 3.209 3.052 3.362 . 0 0 "[ . 1 . 2]" 1
313 1 26 ASN HA 1 84 LEU QB 6.000 . 6.000 4.568 2.628 6.200 0.200 12 0 "[ . 1 . 2]" 1
314 1 26 ASN QB 1 27 SER H 5.950 . 5.950 3.701 3.249 4.003 . 0 0 "[ . 1 . 2]" 1
315 1 26 ASN QB 1 85 ASP HA 5.000 . 5.000 4.331 3.297 5.050 0.050 5 0 "[ . 1 . 2]" 1
316 1 27 SER H 1 84 LEU H 7.000 . 7.000 6.916 6.152 7.245 0.245 5 0 "[ . 1 . 2]" 1
317 1 29 PRO HA 1 30 GLY H 4.190 . 4.190 2.256 2.195 2.320 . 0 0 "[ . 1 . 2]" 1
318 1 29 PRO HA 1 31 THR H 3.760 . 3.760 3.664 3.496 3.780 0.020 18 0 "[ . 1 . 2]" 1
319 1 29 PRO HA 1 77 VAL MG1 5.600 . 5.600 5.123 4.758 5.531 . 0 0 "[ . 1 . 2]" 1
320 1 29 PRO HA 1 78 THR H 6.000 . 6.000 5.691 5.063 6.065 0.065 18 0 "[ . 1 . 2]" 1
321 1 29 PRO HA 1 79 THR H 5.500 . 5.500 5.534 5.272 5.755 0.255 3 0 "[ . 1 . 2]" 1
322 1 29 PRO HA 1 79 THR HA 5.000 . 5.000 4.336 3.257 5.082 0.082 7 0 "[ . 1 . 2]" 1
323 1 29 PRO HA 1 79 THR HB 6.600 . 6.600 4.196 2.095 6.392 . 0 0 "[ . 1 . 2]" 1
324 1 29 PRO QB 1 30 GLY H 4.460 . 4.460 3.166 2.933 3.481 . 0 0 "[ . 1 . 2]" 1
325 1 29 PRO QB 1 31 THR H 5.630 . 5.630 4.901 4.785 4.974 . 0 0 "[ . 1 . 2]" 1
326 1 29 PRO QB 1 79 THR H 6.540 . 6.540 6.353 6.049 6.621 0.081 5 0 "[ . 1 . 2]" 1
327 1 29 PRO QB 1 79 THR HA 6.050 . 6.050 4.693 3.732 5.703 . 0 0 "[ . 1 . 2]" 1
328 1 30 GLY H 1 31 THR H 4.420 . 4.420 2.610 2.555 2.672 . 0 0 "[ . 1 . 2]" 1
329 1 30 GLY H 1 31 THR HA 5.500 . 5.500 5.265 5.221 5.320 . 0 0 "[ . 1 . 2]" 1
330 1 30 GLY H 1 31 THR HB 5.500 . 5.500 4.939 4.833 5.274 . 0 0 "[ . 1 . 2]" 1
331 1 30 GLY H 1 77 VAL HA 6.000 . 6.000 5.926 5.614 6.098 0.098 8 0 "[ . 1 . 2]" 1
332 1 30 GLY H 1 77 VAL HB 6.600 . 6.600 6.031 5.530 6.469 . 0 0 "[ . 1 . 2]" 1
333 1 30 GLY H 1 77 VAL MG1 4.800 . 4.800 3.339 3.016 3.679 . 0 0 "[ . 1 . 2]" 1
334 1 30 GLY H 1 77 VAL MG2 7.000 . 7.000 5.910 5.669 6.206 . 0 0 "[ . 1 . 2]" 1
335 1 30 GLY H 1 78 THR HA 5.500 . 5.500 5.126 4.834 5.482 . 0 0 "[ . 1 . 2]" 1
336 1 30 GLY H 1 78 THR HB 5.080 . 5.080 4.492 3.166 5.259 0.179 1 0 "[ . 1 . 2]" 1
337 1 30 GLY H 1 78 THR MG 6.410 . 6.410 4.483 2.547 5.602 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLY H 1 78 THR O 2.200 . 2.200 2.230 1.900 2.351 0.151 7 0 "[ . 1 . 2]" 1
339 1 30 GLY HA2 1 31 THR H 4.150 . 4.150 2.984 2.906 3.075 . 0 0 "[ . 1 . 2]" 1
340 1 30 GLY HA2 1 31 THR HA 5.000 . 5.000 4.569 4.459 4.629 . 0 0 "[ . 1 . 2]" 1
341 1 30 GLY HA2 1 77 VAL MG2 5.340 . 5.340 4.341 4.183 4.668 . 0 0 "[ . 1 . 2]" 1
342 1 30 GLY HA2 1 78 THR H 6.600 . 6.600 4.202 3.718 4.618 . 0 0 "[ . 1 . 2]" 1
343 1 30 GLY HA3 1 31 THR H 5.260 . 5.260 3.507 3.471 3.532 . 0 0 "[ . 1 . 2]" 1
344 1 30 GLY HA3 1 31 THR HA 5.410 . 5.410 4.562 4.543 4.591 . 0 0 "[ . 1 . 2]" 1
345 1 30 GLY HA3 1 77 VAL HB 6.600 . 6.600 6.037 5.793 6.589 . 0 0 "[ . 1 . 2]" 1
346 1 30 GLY HA3 1 77 VAL MG1 5.070 . 5.070 3.246 3.038 3.618 . 0 0 "[ . 1 . 2]" 1
347 1 30 GLY HA3 1 77 VAL MG2 6.670 . 6.670 5.286 5.130 5.680 . 0 0 "[ . 1 . 2]" 1
348 1 30 GLY HA3 1 78 THR H 6.000 . 6.000 5.651 5.226 5.973 . 0 0 "[ . 1 . 2]" 1
349 1 30 GLY N 1 78 THR O 3.300 2.700 3.300 3.051 2.733 3.259 . 0 0 "[ . 1 . 2]" 1
350 1 31 THR H 1 31 THR HB 4.150 . 4.150 2.636 2.509 3.182 . 0 0 "[ . 1 . 2]" 1
351 1 31 THR H 1 32 SER H 5.480 . 5.480 4.433 4.385 4.478 . 0 0 "[ . 1 . 2]" 1
352 1 31 THR H 1 77 VAL HA 5.240 . 5.240 4.621 4.216 4.969 . 0 0 "[ . 1 . 2]" 1
353 1 31 THR H 1 77 VAL HB 7.000 . 7.000 5.887 5.381 6.385 . 0 0 "[ . 1 . 2]" 1
354 1 31 THR H 1 77 VAL MG1 5.000 . 5.000 2.979 2.563 3.465 . 0 0 "[ . 1 . 2]" 1
355 1 31 THR H 1 77 VAL MG2 6.600 . 6.600 5.026 4.660 5.448 . 0 0 "[ . 1 . 2]" 1
356 1 31 THR H 1 78 THR H 4.000 . 4.000 3.198 2.851 3.438 . 0 0 "[ . 1 . 2]" 1
357 1 31 THR H 1 78 THR HA 5.500 . 5.500 5.254 5.030 5.528 0.028 14 0 "[ . 1 . 2]" 1
358 1 31 THR H 1 78 THR MG 5.500 . 5.500 4.112 1.877 4.778 . 0 0 "[ . 1 . 2]" 1
359 1 31 THR H 1 79 THR H 6.600 . 6.600 5.671 5.297 5.970 . 0 0 "[ . 1 . 2]" 1
360 1 31 THR HA 1 32 SER H 3.560 . 3.560 2.153 2.125 2.211 . 0 0 "[ . 1 . 2]" 1
361 1 31 THR HA 1 77 VAL MG1 5.440 . 5.440 3.528 3.114 4.135 . 0 0 "[ . 1 . 2]" 1
362 1 31 THR HA 1 78 THR H 5.500 . 5.500 4.781 4.629 5.008 . 0 0 "[ . 1 . 2]" 1
363 1 31 THR HB 1 78 THR H 5.500 . 5.500 4.535 4.020 5.622 0.122 9 0 "[ . 1 . 2]" 1
364 1 31 THR MG 1 78 THR H 5.610 . 5.610 4.637 3.173 5.061 . 0 0 "[ . 1 . 2]" 1
365 1 31 THR MG 1 78 THR HA 7.820 . 7.820 6.671 4.887 7.198 . 0 0 "[ . 1 . 2]" 1
366 1 31 THR MG 1 78 THR HB 7.040 . 7.040 5.147 2.595 6.403 . 0 0 "[ . 1 . 2]" 1
367 1 31 THR O 1 78 THR H 2.200 . 2.200 2.160 1.909 2.337 0.137 19 0 "[ . 1 . 2]" 1
368 1 31 THR O 1 78 THR N 3.300 2.700 3.300 3.126 2.875 3.294 . 0 0 "[ . 1 . 2]" 1
369 1 32 SER H 1 77 VAL HA 5.060 . 5.060 4.343 4.169 4.579 . 0 0 "[ . 1 . 2]" 1
370 1 32 SER H 1 77 VAL MG2 5.350 . 5.350 3.768 3.369 4.315 . 0 0 "[ . 1 . 2]" 1
371 1 32 SER H 1 78 THR H 5.500 . 5.500 4.871 4.687 5.065 . 0 0 "[ . 1 . 2]" 1
372 1 32 SER HA 1 33 VAL H 4.610 . 4.610 2.234 2.171 2.308 . 0 0 "[ . 1 . 2]" 1
373 1 32 SER HA 1 33 VAL HA 5.460 . 5.460 4.400 4.366 4.434 . 0 0 "[ . 1 . 2]" 1
374 1 32 SER HA 1 34 HIS H 4.220 . 4.220 4.039 3.912 4.251 0.031 2 0 "[ . 1 . 2]" 1
375 1 32 SER HA 1 75 GLU HA 7.700 . 7.700 6.288 6.119 6.432 . 0 0 "[ . 1 . 2]" 1
376 1 32 SER HA 1 75 GLU HB2 5.090 . 5.090 4.223 4.076 4.374 . 0 0 "[ . 1 . 2]" 1
377 1 32 SER HA 1 75 GLU HB3 6.600 . 6.600 5.807 5.659 5.999 . 0 0 "[ . 1 . 2]" 1
378 1 32 SER HA 1 75 GLU QG 6.000 . 6.000 4.102 3.564 4.943 . 0 0 "[ . 1 . 2]" 1
379 1 32 SER HA 1 76 VAL H 6.600 . 6.600 4.752 4.582 4.928 . 0 0 "[ . 1 . 2]" 1
380 1 32 SER HA 1 76 VAL HB 5.500 . 5.500 5.117 4.943 5.270 . 0 0 "[ . 1 . 2]" 1
381 1 32 SER HA 1 77 VAL H 4.890 . 4.890 4.608 4.446 4.848 . 0 0 "[ . 1 . 2]" 1
382 1 32 SER HA 1 77 VAL HA 5.330 . 5.330 2.214 2.076 2.466 . 0 0 "[ . 1 . 2]" 1
383 1 32 SER HA 1 77 VAL HB 5.210 . 5.210 4.882 4.572 5.236 0.026 8 0 "[ . 1 . 2]" 1
384 1 32 SER HA 1 77 VAL MG1 5.320 . 5.320 3.409 3.138 3.703 . 0 0 "[ . 1 . 2]" 1
385 1 32 SER HA 1 77 VAL MG2 4.980 . 4.980 2.669 2.347 3.085 . 0 0 "[ . 1 . 2]" 1
386 1 32 SER HA 1 78 THR MG 6.600 . 6.600 5.348 4.131 6.625 0.025 9 0 "[ . 1 . 2]" 1
387 1 32 SER QB 1 33 VAL HA 5.510 . 5.510 4.485 4.236 4.857 . 0 0 "[ . 1 . 2]" 1
388 1 32 SER HB3 1 75 GLU HB3 6.000 . 6.000 4.513 3.685 5.529 . 0 0 "[ . 1 . 2]" 1
389 1 33 VAL H 1 34 HIS H 4.510 . 4.510 2.107 1.926 2.360 . 0 0 "[ . 1 . 2]" 1
390 1 33 VAL H 1 34 HIS HA 5.700 . 5.700 4.678 4.532 4.856 . 0 0 "[ . 1 . 2]" 1
391 1 33 VAL H 1 75 GLU HA 6.600 . 6.600 5.675 5.464 5.889 . 0 0 "[ . 1 . 2]" 1
392 1 33 VAL H 1 75 GLU HB2 5.150 . 5.150 4.003 3.826 4.116 . 0 0 "[ . 1 . 2]" 1
393 1 33 VAL H 1 75 GLU HB3 5.650 . 5.650 5.706 5.549 5.818 0.168 19 0 "[ . 1 . 2]" 1
394 1 33 VAL H 1 76 VAL H 4.680 . 4.680 3.783 3.598 3.956 . 0 0 "[ . 1 . 2]" 1
395 1 33 VAL H 1 76 VAL HB 3.980 . 3.980 3.621 3.410 3.851 . 0 0 "[ . 1 . 2]" 1
396 1 33 VAL H 1 76 VAL MG1 5.500 . 5.500 4.105 3.912 4.298 . 0 0 "[ . 1 . 2]" 1
397 1 33 VAL H 1 76 VAL MG2 6.070 . 6.070 4.969 4.851 5.131 . 0 0 "[ . 1 . 2]" 1
398 1 33 VAL H 1 76 VAL O 2.200 . 2.200 1.962 1.839 2.160 . 0 0 "[ . 1 . 2]" 1
399 1 33 VAL H 1 77 VAL H 5.230 . 5.230 5.020 4.849 5.234 0.004 14 0 "[ . 1 . 2]" 1
400 1 33 VAL H 1 77 VAL HA 4.400 . 4.400 3.437 3.188 3.663 . 0 0 "[ . 1 . 2]" 1
401 1 33 VAL H 1 78 THR H 5.500 . 5.500 4.546 4.255 4.790 . 0 0 "[ . 1 . 2]" 1
402 1 33 VAL HA 1 34 HIS H 5.030 . 5.030 3.526 3.504 3.560 . 0 0 "[ . 1 . 2]" 1
403 1 33 VAL HA 1 78 THR MG 6.600 . 6.600 5.478 4.182 6.726 0.126 17 0 "[ . 1 . 2]" 1
404 1 33 VAL HB 1 34 HIS H 4.390 . 4.390 3.544 2.481 3.980 . 0 0 "[ . 1 . 2]" 1
405 1 33 VAL HB 1 76 VAL MG1 6.600 . 6.600 4.410 3.360 5.229 . 0 0 "[ . 1 . 2]" 1
406 1 33 VAL HB 1 76 VAL MG2 7.700 . 7.700 5.484 4.205 6.251 . 0 0 "[ . 1 . 2]" 1
407 1 33 VAL HB 1 78 THR MG 6.530 . 6.530 5.030 2.864 6.368 . 0 0 "[ . 1 . 2]" 1
408 1 33 VAL QG 1 34 HIS H 4.450 . 4.450 2.415 1.966 3.363 . 0 0 "[ . 1 . 2]" 1
409 1 33 VAL QG 1 76 VAL H 6.280 . 6.280 3.656 2.978 5.010 . 0 0 "[ . 1 . 2]" 1
410 1 33 VAL QG 1 76 VAL HA 6.830 . 6.830 4.328 3.960 5.409 . 0 0 "[ . 1 . 2]" 1
411 1 33 VAL QG 1 77 VAL HA 5.930 . 5.930 3.468 3.199 4.027 . 0 0 "[ . 1 . 2]" 1
412 1 33 VAL QG 1 78 THR HA 6.680 . 6.680 4.194 3.673 5.179 . 0 0 "[ . 1 . 2]" 1
413 1 33 VAL N 1 76 VAL O 3.300 2.700 3.300 2.890 2.794 3.093 . 0 0 "[ . 1 . 2]" 1
414 1 34 HIS H 1 35 LYS H 5.280 . 5.280 4.330 4.271 4.411 . 0 0 "[ . 1 . 2]" 1
415 1 34 HIS H 1 35 LYS HB2 6.390 . 6.390 6.341 5.341 6.476 0.086 12 0 "[ . 1 . 2]" 1
416 1 34 HIS H 1 75 GLU HA 4.940 . 4.940 4.607 4.446 4.740 . 0 0 "[ . 1 . 2]" 1
417 1 34 HIS H 1 75 GLU HB3 4.940 . 4.940 4.888 4.616 5.036 0.096 15 0 "[ . 1 . 2]" 1
418 1 34 HIS H 1 75 GLU QG 6.400 . 6.400 5.089 4.720 5.606 . 0 0 "[ . 1 . 2]" 1
419 1 34 HIS H 1 76 VAL H 4.140 . 4.140 3.026 2.880 3.154 . 0 0 "[ . 1 . 2]" 1
420 1 34 HIS H 1 76 VAL HB 3.660 . 3.660 3.294 3.004 3.559 . 0 0 "[ . 1 . 2]" 1
421 1 34 HIS H 1 76 VAL MG1 5.890 . 5.890 4.587 4.321 4.777 . 0 0 "[ . 1 . 2]" 1
422 1 34 HIS H 1 76 VAL MG2 5.790 . 5.790 4.335 4.115 4.580 . 0 0 "[ . 1 . 2]" 1
423 1 34 HIS H 1 77 VAL H 6.060 . 6.060 6.091 5.987 6.146 0.086 18 0 "[ . 1 . 2]" 1
424 1 34 HIS H 1 77 VAL HA 5.200 . 5.200 5.281 5.196 5.387 0.187 2 0 "[ . 1 . 2]" 1
425 1 34 HIS HA 1 35 LYS H 3.880 . 3.880 2.323 2.247 2.438 . 0 0 "[ . 1 . 2]" 1
426 1 34 HIS HA 1 35 LYS HB2 5.710 . 5.710 5.579 4.368 5.692 . 0 0 "[ . 1 . 2]" 1
427 1 34 HIS HA 1 75 GLU HB3 5.580 . 5.580 5.384 5.022 5.669 0.089 15 0 "[ . 1 . 2]" 1
428 1 34 HIS HA 1 76 VAL HB 5.950 . 5.950 5.770 5.426 6.055 0.105 18 0 "[ . 1 . 2]" 1
429 1 34 HIS HB2 1 35 LYS H 5.260 . 5.260 4.040 3.936 4.171 . 0 0 "[ . 1 . 2]" 1
430 1 34 HIS HB2 1 76 VAL H 5.740 . 5.740 5.466 5.215 5.746 0.006 12 0 "[ . 1 . 2]" 1
431 1 34 HIS HB2 1 76 VAL MG1 7.700 . 7.700 6.032 5.639 6.459 . 0 0 "[ . 1 . 2]" 1
432 1 34 HIS HB3 1 35 LYS H 5.210 . 5.210 3.652 3.421 3.877 . 0 0 "[ . 1 . 2]" 1
433 1 34 HIS HB3 1 76 VAL H 5.500 . 5.500 4.239 3.955 4.627 . 0 0 "[ . 1 . 2]" 1
434 1 34 HIS O 1 76 VAL H 2.200 . 2.200 2.137 1.962 2.281 0.081 18 0 "[ . 1 . 2]" 1
435 1 34 HIS O 1 76 VAL N 3.300 2.700 3.300 3.057 2.900 3.210 . 0 0 "[ . 1 . 2]" 1
436 1 35 LYS H 1 35 LYS HB3 4.240 . 4.240 3.128 2.577 3.234 . 0 0 "[ . 1 . 2]" 1
437 1 35 LYS H 1 35 LYS QD 5.000 . 5.000 4.033 1.915 4.671 . 0 0 "[ . 1 . 2]" 1
438 1 35 LYS H 1 36 PHE H 5.380 . 5.380 4.461 4.428 4.503 . 0 0 "[ . 1 . 2]" 1
439 1 35 LYS H 1 75 GLU HA 5.080 . 5.080 4.808 4.646 4.987 . 0 0 "[ . 1 . 2]" 1
440 1 35 LYS H 1 75 GLU HB3 4.690 . 4.690 4.568 4.255 4.768 0.078 17 0 "[ . 1 . 2]" 1
441 1 35 LYS H 1 76 VAL H 5.380 . 5.380 5.247 5.084 5.409 0.029 18 0 "[ . 1 . 2]" 1
442 1 35 LYS H 1 76 VAL MG2 8.280 . 8.280 5.994 5.702 6.387 . 0 0 "[ . 1 . 2]" 1
443 1 35 LYS H 1 111 LEU MD1 7.290 . 7.290 5.858 5.006 6.910 . 0 0 "[ . 1 . 2]" 1
444 1 35 LYS HA 1 36 PHE H 3.970 . 3.970 2.271 2.201 2.389 . 0 0 "[ . 1 . 2]" 1
445 1 35 LYS HA 1 75 GLU HA 5.120 . 5.120 2.163 2.071 2.320 . 0 0 "[ . 1 . 2]" 1
446 1 35 LYS HA 1 75 GLU HB3 4.960 . 4.960 2.552 2.076 2.857 . 0 0 "[ . 1 . 2]" 1
447 1 35 LYS HA 1 76 VAL H 4.050 . 4.050 3.679 3.497 3.822 . 0 0 "[ . 1 . 2]" 1
448 1 35 LYS HA 1 76 VAL HB 6.000 . 6.000 5.786 5.480 5.990 . 0 0 "[ . 1 . 2]" 1
449 1 35 LYS HB2 1 36 PHE H 4.540 . 4.540 2.788 2.574 4.063 . 0 0 "[ . 1 . 2]" 1
450 1 35 LYS HB2 1 75 GLU H 5.000 . 5.000 5.103 5.053 5.269 0.269 1 0 "[ . 1 . 2]" 1
451 1 35 LYS HB2 1 75 GLU HA 4.810 . 4.810 3.921 3.738 4.223 . 0 0 "[ . 1 . 2]" 1
452 1 35 LYS HB2 1 75 GLU QG 5.500 . 5.500 4.528 3.957 4.980 . 0 0 "[ . 1 . 2]" 1
453 1 35 LYS HB3 1 35 LYS QE 5.090 . 5.090 3.481 2.089 4.208 . 0 0 "[ . 1 . 2]" 1
454 1 35 LYS HB3 1 36 PHE H 4.510 . 4.510 3.941 3.874 4.054 . 0 0 "[ . 1 . 2]" 1
455 1 35 LYS HB3 1 75 GLU HB2 5.000 . 5.000 3.166 2.749 4.776 . 0 0 "[ . 1 . 2]" 1
456 1 35 LYS QD 1 36 PHE H 5.800 . 5.800 4.711 3.473 5.322 . 0 0 "[ . 1 . 2]" 1
457 1 35 LYS QE 1 36 PHE H 6.920 . 6.920 5.489 4.123 6.339 . 0 0 "[ . 1 . 2]" 1
458 1 35 LYS QG 1 75 GLU HB3 4.920 . 4.920 4.060 2.469 4.279 . 0 0 "[ . 1 . 2]" 1
459 1 36 PHE H 1 37 SER H 4.800 . 4.800 4.429 4.359 4.476 . 0 0 "[ . 1 . 2]" 1
460 1 36 PHE H 1 74 PHE H 4.030 . 4.030 2.973 2.685 3.169 . 0 0 "[ . 1 . 2]" 1
461 1 36 PHE H 1 74 PHE HA 5.000 . 5.000 4.824 4.574 4.974 . 0 0 "[ . 1 . 2]" 1
462 1 36 PHE H 1 74 PHE HB3 5.500 . 5.500 5.537 5.010 5.760 0.260 20 0 "[ . 1 . 2]" 1
463 1 36 PHE H 1 74 PHE O 2.200 . 2.200 1.859 1.762 1.974 0.038 12 0 "[ . 1 . 2]" 1
464 1 36 PHE H 1 75 GLU H 5.000 . 5.000 4.925 4.782 5.039 0.039 2 0 "[ . 1 . 2]" 1
465 1 36 PHE H 1 75 GLU HA 5.000 . 5.000 3.411 3.206 3.613 . 0 0 "[ . 1 . 2]" 1
466 1 36 PHE H 1 75 GLU HB3 4.480 . 4.480 4.028 3.570 4.331 . 0 0 "[ . 1 . 2]" 1
467 1 36 PHE H 1 76 VAL H 6.000 . 6.000 5.433 5.092 5.690 . 0 0 "[ . 1 . 2]" 1
468 1 36 PHE HA 1 37 SER H 4.320 . 4.320 2.352 2.264 2.519 . 0 0 "[ . 1 . 2]" 1
469 1 36 PHE HA 1 74 PHE H 5.000 . 5.000 4.936 4.659 5.059 0.059 3 0 "[ . 1 . 2]" 1
470 1 36 PHE QB 1 37 SER H 4.690 . 4.690 2.565 2.337 2.746 . 0 0 "[ . 1 . 2]" 1
471 1 36 PHE N 1 74 PHE O 3.300 2.700 3.300 2.810 2.718 2.908 . 0 0 "[ . 1 . 2]" 1
472 1 36 PHE O 1 74 PHE H 2.200 . 2.200 2.095 1.864 2.238 0.038 14 0 "[ . 1 . 2]" 1
473 1 36 PHE O 1 74 PHE N 3.300 2.700 3.300 3.042 2.820 3.174 . 0 0 "[ . 1 . 2]" 1
474 1 37 SER H 1 73 TYR HA 5.000 . 5.000 4.965 4.453 5.124 0.124 1 0 "[ . 1 . 2]" 1
475 1 37 SER HA 1 38 VAL H 4.250 . 4.250 2.308 2.212 2.481 . 0 0 "[ . 1 . 2]" 1
476 1 37 SER HA 1 72 THR H 6.000 . 6.000 5.860 5.504 6.015 0.015 3 0 "[ . 1 . 2]" 1
477 1 37 SER HA 1 73 TYR H 5.000 . 5.000 4.896 4.432 5.053 0.053 16 0 "[ . 1 . 2]" 1
478 1 37 SER HA 1 73 TYR HA 5.120 . 5.120 2.508 2.315 2.667 . 0 0 "[ . 1 . 2]" 1
479 1 37 SER HA 1 74 PHE H 4.000 . 4.000 3.650 3.178 3.984 . 0 0 "[ . 1 . 2]" 1
480 1 37 SER HA 1 74 PHE HB3 6.200 . 6.200 6.022 5.068 6.381 0.181 17 0 "[ . 1 . 2]" 1
481 1 37 SER QB 1 38 VAL H 4.080 . 4.080 2.859 2.235 3.566 . 0 0 "[ . 1 . 2]" 1
482 1 37 SER QB 1 72 THR H 7.700 . 7.700 5.862 4.343 6.710 . 0 0 "[ . 1 . 2]" 1
483 1 37 SER QB 1 73 TYR H 7.700 . 7.700 5.517 3.600 6.212 . 0 0 "[ . 1 . 2]" 1
484 1 37 SER QB 1 73 TYR HA 5.100 . 5.100 3.750 2.018 4.504 . 0 0 "[ . 1 . 2]" 1
485 1 37 SER QB 1 74 PHE H 6.600 . 6.600 5.050 3.481 5.780 . 0 0 "[ . 1 . 2]" 1
486 1 38 VAL H 1 38 VAL QG 4.200 . 4.200 2.552 2.112 2.803 . 0 0 "[ . 1 . 2]" 1
487 1 38 VAL H 1 39 LYS H 5.180 . 5.180 4.487 4.411 4.540 . 0 0 "[ . 1 . 2]" 1
488 1 38 VAL H 1 72 THR HA 5.000 . 5.000 4.166 3.712 4.813 . 0 0 "[ . 1 . 2]" 1
489 1 38 VAL H 1 72 THR HB 3.870 . 3.870 2.440 1.968 3.067 . 0 0 "[ . 1 . 2]" 1
490 1 38 VAL H 1 72 THR MG 5.500 . 5.500 4.094 3.708 4.585 . 0 0 "[ . 1 . 2]" 1
491 1 38 VAL H 1 72 THR O 2.200 . 2.200 2.132 1.982 2.337 0.137 20 0 "[ . 1 . 2]" 1
492 1 38 VAL H 1 73 TYR HA 3.920 . 3.920 3.863 3.451 4.008 0.088 6 0 "[ . 1 . 2]" 1
493 1 38 VAL HA 1 39 LYS H 4.080 . 4.080 2.257 2.196 2.345 . 0 0 "[ . 1 . 2]" 1
494 1 38 VAL HA 1 40 LEU H 6.600 . 6.600 6.078 5.853 6.270 . 0 0 "[ . 1 . 2]" 1
495 1 38 VAL HA 1 72 THR MG 7.180 . 7.180 5.309 4.966 5.546 . 0 0 "[ . 1 . 2]" 1
496 1 38 VAL HB 1 39 LYS H 4.980 . 4.980 3.964 2.642 4.234 . 0 0 "[ . 1 . 2]" 1
497 1 38 VAL HB 1 72 THR HA 5.160 . 5.160 3.913 3.207 5.286 0.126 17 0 "[ . 1 . 2]" 1
498 1 38 VAL HB 1 73 TYR HA 6.600 . 6.600 5.671 4.650 6.806 0.206 8 0 "[ . 1 . 2]" 1
499 1 38 VAL QG 1 39 LYS H 4.330 . 4.330 2.497 2.104 3.360 . 0 0 "[ . 1 . 2]" 1
500 1 38 VAL QG 1 72 THR HB 5.140 . 5.140 2.912 1.921 3.711 . 0 0 "[ . 1 . 2]" 1
501 1 38 VAL MG1 1 72 THR HB 6.210 . 6.210 3.447 1.930 4.325 . 0 0 "[ . 1 . 2]" 1
502 1 38 VAL N 1 72 THR O 3.300 2.700 3.300 2.944 2.844 3.127 . 0 0 "[ . 1 . 2]" 1
503 1 39 LYS H 1 40 LEU H 5.180 . 5.180 4.581 4.474 4.630 . 0 0 "[ . 1 . 2]" 1
504 1 39 LYS H 1 41 SER H 6.600 . 6.600 6.639 6.362 6.884 0.284 17 0 "[ . 1 . 2]" 1
505 1 39 LYS H 1 72 THR HB 5.450 . 5.450 5.105 4.914 5.300 . 0 0 "[ . 1 . 2]" 1
506 1 39 LYS H 1 72 THR MG 6.960 . 6.960 5.288 5.044 5.589 . 0 0 "[ . 1 . 2]" 1
507 1 39 LYS HA 1 40 LEU H 3.860 . 3.860 2.178 2.135 2.236 . 0 0 "[ . 1 . 2]" 1
508 1 39 LYS HA 1 72 THR HB 5.150 . 5.150 4.960 4.579 5.204 0.054 11 0 "[ . 1 . 2]" 1
509 1 39 LYS HA 1 72 THR MG 6.600 . 6.600 4.524 3.897 4.924 . 0 0 "[ . 1 . 2]" 1
510 1 39 LYS QB 1 40 LEU H 5.000 . 5.000 3.410 2.857 3.817 . 0 0 "[ . 1 . 2]" 1
511 1 40 LEU H 1 40 LEU QB 3.890 . 3.890 2.341 2.117 2.893 . 0 0 "[ . 1 . 2]" 1
512 1 40 LEU H 1 40 LEU HG 4.670 . 4.670 3.526 1.954 4.565 . 0 0 "[ . 1 . 2]" 1
513 1 40 LEU H 1 72 THR HB 5.510 . 5.510 5.271 4.826 5.573 0.063 1 0 "[ . 1 . 2]" 1
514 1 40 LEU H 1 72 THR MG 5.500 . 5.500 3.903 3.275 4.267 . 0 0 "[ . 1 . 2]" 1
515 1 40 LEU HA 1 41 SER H 4.450 . 4.450 2.118 2.092 2.152 . 0 0 "[ . 1 . 2]" 1
516 1 40 LEU QB 1 41 SER H 4.870 . 4.870 3.365 2.824 3.850 . 0 0 "[ . 1 . 2]" 1
517 1 40 LEU QB 1 72 THR MG 7.700 . 7.700 3.251 2.003 4.157 . 0 0 "[ . 1 . 2]" 1
518 1 40 LEU QD 1 41 SER H 5.680 . 5.680 2.995 1.990 4.242 . 0 0 "[ . 1 . 2]" 1
519 1 40 LEU HG 1 41 SER H 4.720 . 4.720 4.300 2.910 5.010 0.290 17 0 "[ . 1 . 2]" 1
520 1 41 SER H 1 42 ALA H 5.480 . 5.480 4.624 4.593 4.648 . 0 0 "[ . 1 . 2]" 1
521 1 41 SER HA 1 42 ALA H 3.500 . 3.500 2.299 2.197 2.464 . 0 0 "[ . 1 . 2]" 1
522 1 41 SER HA 1 42 ALA MB 6.000 . 6.000 4.092 4.001 4.199 . 0 0 "[ . 1 . 2]" 1
523 1 41 SER QB 1 42 ALA H 4.100 . 4.100 2.937 2.388 3.615 . 0 0 "[ . 1 . 2]" 1
524 1 41 SER QB 1 42 ALA MB 6.750 . 6.750 4.223 3.750 4.826 . 0 0 "[ . 1 . 2]" 1
525 1 41 SER QB 1 43 SER H 5.500 . 5.500 3.063 2.670 3.738 . 0 0 "[ . 1 . 2]" 1
526 1 42 ALA H 1 42 ALA MB . . 3.650 2.210 2.155 2.243 . 0 0 "[ . 1 . 2]" 1
527 1 42 ALA H 1 43 SER H 4.800 . 4.800 2.695 2.627 2.749 . 0 0 "[ . 1 . 2]" 1
528 1 42 ALA HA 1 44 LEU QD 7.880 . 7.880 4.581 2.798 5.761 . 0 0 "[ . 1 . 2]" 1
529 1 42 ALA MB 1 43 SER H 5.000 . 5.000 2.583 2.509 2.678 . 0 0 "[ . 1 . 2]" 1
530 1 43 SER H 1 44 LEU H 4.370 . 4.370 2.602 2.205 2.755 . 0 0 "[ . 1 . 2]" 1
531 1 43 SER H 1 44 LEU HB3 6.000 . 6.000 5.906 5.062 6.386 0.386 15 0 "[ . 1 . 2]" 1
532 1 43 SER H 1 44 LEU QD 7.770 . 7.770 5.265 3.795 5.766 . 0 0 "[ . 1 . 2]" 1
533 1 43 SER HA 1 44 LEU H 5.000 . 5.000 3.514 3.400 3.548 . 0 0 "[ . 1 . 2]" 1
534 1 43 SER QB 1 44 LEU H 4.630 . 4.630 2.951 2.591 3.751 . 0 0 "[ . 1 . 2]" 1
535 1 44 LEU H 1 44 LEU HB3 4.000 . 4.000 3.809 3.021 4.100 0.100 4 0 "[ . 1 . 2]" 1
536 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 3.981 2.613 4.792 . 0 0 "[ . 1 . 2]" 1
537 1 44 LEU H 1 45 SER H 4.500 . 4.500 2.811 2.591 3.333 . 0 0 "[ . 1 . 2]" 1
538 1 44 LEU HA 1 45 SER H 3.800 . 3.800 2.760 2.411 3.002 . 0 0 "[ . 1 . 2]" 1
539 1 44 LEU HA 1 45 SER HA 5.500 . 5.500 4.676 4.543 4.750 . 0 0 "[ . 1 . 2]" 1
540 1 44 LEU HA 1 45 SER QB 5.960 . 5.960 4.814 4.486 5.047 . 0 0 "[ . 1 . 2]" 1
541 1 44 LEU HB2 1 45 SER H 5.470 . 5.470 4.505 4.080 4.675 . 0 0 "[ . 1 . 2]" 1
542 1 44 LEU HB3 1 45 SER H 4.780 . 4.780 4.340 4.148 4.682 . 0 0 "[ . 1 . 2]" 1
543 1 44 LEU QD 1 45 SER H 6.200 . 6.200 4.097 3.572 4.481 . 0 0 "[ . 1 . 2]" 1
544 1 44 LEU HG 1 45 SER H 4.890 . 4.890 4.710 4.191 4.959 0.069 8 0 "[ . 1 . 2]" 1
545 1 45 SER H 1 45 SER QB . . 3.800 2.391 2.248 2.562 . 0 0 "[ . 1 . 2]" 1
546 1 45 SER H 1 102 GLU H 6.000 . 6.000 5.987 4.989 6.147 0.147 12 0 "[ . 1 . 2]" 1
547 1 45 SER H 1 102 GLU HG2 7.000 . 7.000 5.982 4.535 7.055 0.055 8 0 "[ . 1 . 2]" 1
548 1 45 SER H 1 103 VAL H 6.000 . 6.000 5.327 4.103 5.814 . 0 0 "[ . 1 . 2]" 1
549 1 45 SER HA 1 46 PRO QD 5.500 . 5.500 2.141 2.027 2.335 . 0 0 "[ . 1 . 2]" 1
550 1 45 SER HA 1 46 PRO QG 5.520 . 5.520 4.036 3.888 4.246 . 0 0 "[ . 1 . 2]" 1
551 1 45 SER QB 1 102 GLU H 7.000 . 7.000 4.655 3.740 5.881 . 0 0 "[ . 1 . 2]" 1
552 1 45 SER QB 1 103 VAL H 6.600 . 6.600 4.138 2.682 5.537 . 0 0 "[ . 1 . 2]" 1
553 1 46 PRO HA 1 47 VAL H 3.850 . 3.850 2.278 2.222 2.368 . 0 0 "[ . 1 . 2]" 1
554 1 46 PRO HA 1 47 VAL MG1 6.800 . 6.800 4.173 3.454 5.511 . 0 0 "[ . 1 . 2]" 1
555 1 46 PRO HA 1 47 VAL QG 6.030 . 6.030 3.381 3.148 3.815 . 0 0 "[ . 1 . 2]" 1
556 1 46 PRO HA 1 47 VAL MG2 6.770 . 6.770 3.927 3.460 5.489 . 0 0 "[ . 1 . 2]" 1
557 1 46 PRO HB2 1 47 VAL H 4.450 . 4.450 3.362 2.787 3.832 . 0 0 "[ . 1 . 2]" 1
558 1 46 PRO HB2 1 48 ILE H 6.290 . 6.290 5.658 5.076 6.057 . 0 0 "[ . 1 . 2]" 1
559 1 46 PRO HB3 1 47 VAL H 4.590 . 4.590 3.476 3.190 3.763 . 0 0 "[ . 1 . 2]" 1
560 1 47 VAL H 1 47 VAL HB . . 3.840 3.213 2.493 3.726 . 0 0 "[ . 1 . 2]" 1
561 1 47 VAL H 1 47 VAL QG 3.830 . 3.830 2.072 1.845 2.549 . 0 0 "[ . 1 . 2]" 1
562 1 47 VAL H 1 48 ILE H 5.380 . 5.380 4.520 4.366 4.622 . 0 0 "[ . 1 . 2]" 1
563 1 47 VAL HA 1 48 ILE H 4.400 . 4.400 2.213 2.119 2.382 . 0 0 "[ . 1 . 2]" 1
564 1 47 VAL HA 1 102 GLU HB3 6.000 . 6.000 4.837 4.240 5.997 . 0 0 "[ . 1 . 2]" 1
565 1 47 VAL HA 1 102 GLU HG2 6.000 . 6.000 4.508 2.516 6.125 0.125 5 0 "[ . 1 . 2]" 1
566 1 47 VAL HA 1 102 GLU HG3 6.000 . 6.000 4.712 2.570 6.049 0.049 12 0 "[ . 1 . 2]" 1
567 1 47 VAL QG 1 48 ILE H 5.050 . 5.050 2.992 2.018 3.441 . 0 0 "[ . 1 . 2]" 1
568 1 47 VAL QG 1 48 ILE HA 6.130 . 6.130 4.073 3.487 4.341 . 0 0 "[ . 1 . 2]" 1
569 1 47 VAL MG1 1 48 ILE HA 6.820 . 6.820 4.999 4.031 5.698 . 0 0 "[ . 1 . 2]" 1
570 1 47 VAL MG2 1 48 ILE HA 6.640 . 6.640 4.689 3.817 5.787 . 0 0 "[ . 1 . 2]" 1
571 1 48 ILE H 1 48 ILE MD 5.720 . 5.720 3.587 1.827 4.393 . 0 0 "[ . 1 . 2]" 1
572 1 48 ILE H 1 49 PRO HA 6.440 . 6.440 5.716 5.225 5.933 . 0 0 "[ . 1 . 2]" 1
573 1 48 ILE H 1 102 GLU HA 6.380 . 6.380 5.550 4.839 6.404 0.024 2 0 "[ . 1 . 2]" 1
574 1 48 ILE H 1 102 GLU HB3 6.000 . 6.000 5.976 5.530 6.178 0.178 18 0 "[ . 1 . 2]" 1
575 1 48 ILE HA 1 49 PRO QD 5.090 . 5.090 2.121 2.035 2.328 . 0 0 "[ . 1 . 2]" 1
576 1 48 ILE MG 1 49 PRO HA 7.110 . 7.110 5.100 4.139 5.885 . 0 0 "[ . 1 . 2]" 1
577 1 49 PRO HA 1 50 GLY H 3.890 . 3.890 2.277 2.219 2.328 . 0 0 "[ . 1 . 2]" 1
578 1 49 PRO QB 1 50 GLY H 4.840 . 4.840 3.033 2.882 3.180 . 0 0 "[ . 1 . 2]" 1
579 1 50 GLY H 1 51 PHE H 4.310 . 4.310 2.604 2.403 2.781 . 0 0 "[ . 1 . 2]" 1
580 1 50 GLY HA2 1 51 PHE H 4.550 . 4.550 2.555 2.504 2.795 . 0 0 "[ . 1 . 2]" 1
581 1 51 PHE HA 1 68 TRP H 6.850 . 6.850 6.383 5.776 6.915 0.065 17 0 "[ . 1 . 2]" 1
582 1 51 PHE HA 1 99 VAL HA 7.100 . 7.100 6.683 6.266 6.957 . 0 0 "[ . 1 . 2]" 1
583 1 51 PHE QB 1 67 ASN HA 6.220 . 6.220 4.671 3.652 5.782 . 0 0 "[ . 1 . 2]" 1
584 1 52 PRO HA 1 53 GLN H 4.500 . 4.500 3.631 3.608 3.645 . 0 0 "[ . 1 . 2]" 1
585 1 52 PRO HA 1 53 GLN HA 5.320 . 5.320 2.290 2.147 2.413 . 0 0 "[ . 1 . 2]" 1
586 1 52 PRO HA 1 98 TYR H 6.000 . 6.000 5.966 5.871 6.075 0.075 9 0 "[ . 1 . 2]" 1
587 1 52 PRO HA 1 99 VAL HA 5.170 . 5.170 4.849 4.635 5.044 . 0 0 "[ . 1 . 2]" 1
588 1 52 PRO HA 1 100 LYS H 5.280 . 5.280 5.000 4.822 5.313 0.033 9 0 "[ . 1 . 2]" 1
589 1 52 PRO HB2 1 53 GLN H 4.430 . 4.430 4.032 3.791 4.131 . 0 0 "[ . 1 . 2]" 1
590 1 52 PRO HB2 1 97 ILE MG 6.820 . 6.820 5.502 4.985 6.846 0.026 6 0 "[ . 1 . 2]" 1
591 1 52 PRO HB2 1 98 TYR H 5.790 . 5.790 5.722 5.351 5.892 0.102 18 0 "[ . 1 . 2]" 1
592 1 52 PRO HB2 1 99 VAL H 4.970 . 4.970 4.925 4.636 5.069 0.099 17 0 "[ . 1 . 2]" 1
593 1 52 PRO HB2 1 99 VAL MG1 6.060 . 6.060 3.845 3.451 4.038 . 0 0 "[ . 1 . 2]" 1
594 1 52 PRO HB2 1 99 VAL MG2 6.280 . 6.280 4.300 3.894 5.085 . 0 0 "[ . 1 . 2]" 1
595 1 52 PRO HB2 1 100 LYS H 3.890 . 3.890 2.152 1.940 2.933 . 0 0 "[ . 1 . 2]" 1
596 1 52 PRO HB2 1 100 LYS QE 7.700 . 7.700 5.771 4.377 7.145 . 0 0 "[ . 1 . 2]" 1
597 1 52 PRO HB2 1 107 ASP H 7.000 . 7.000 6.517 6.252 6.714 . 0 0 "[ . 1 . 2]" 1
598 1 52 PRO HB3 1 53 GLN H 4.780 . 4.780 4.626 4.442 4.947 0.167 2 0 "[ . 1 . 2]" 1
599 1 52 PRO HB3 1 99 VAL H 6.000 . 6.000 6.082 5.940 6.263 0.263 2 0 "[ . 1 . 2]" 1
600 1 52 PRO HB3 1 99 VAL HB 7.050 . 7.050 7.013 6.263 7.132 0.082 3 0 "[ . 1 . 2]" 1
601 1 52 PRO QG 1 100 LYS HB2 5.360 . 5.360 3.879 3.499 4.318 . 0 0 "[ . 1 . 2]" 1
602 1 53 GLN H 1 66 VAL QG 5.000 . 5.000 3.372 2.701 3.937 . 0 0 "[ . 1 . 2]" 1
603 1 53 GLN H 1 97 ILE HA 4.430 . 4.430 4.217 4.060 4.455 0.025 13 0 "[ . 1 . 2]" 1
604 1 53 GLN H 1 97 ILE MD 6.700 . 6.700 4.729 3.579 5.720 . 0 0 "[ . 1 . 2]" 1
605 1 53 GLN H 1 97 ILE MG 4.170 . 4.170 2.525 2.081 4.218 0.048 20 0 "[ . 1 . 2]" 1
606 1 53 GLN H 1 98 TYR HA 5.340 . 5.340 5.138 4.914 5.305 . 0 0 "[ . 1 . 2]" 1
607 1 53 GLN H 1 98 TYR QB 5.350 . 5.350 4.485 4.243 5.030 . 0 0 "[ . 1 . 2]" 1
608 1 53 GLN H 1 98 TYR O 2.200 . 2.200 2.427 2.327 2.493 0.293 2 0 "[ . 1 . 2]" 1
609 1 53 GLN H 1 99 VAL H 5.380 . 5.380 5.305 5.099 5.455 0.075 13 0 "[ . 1 . 2]" 1
610 1 53 GLN H 1 99 VAL HA 3.830 . 3.830 3.797 3.580 3.916 0.086 3 0 "[ . 1 . 2]" 1
611 1 53 GLN H 1 99 VAL MG2 5.300 . 5.300 3.423 2.959 5.256 . 0 0 "[ . 1 . 2]" 1
612 1 53 GLN H 1 100 LYS H 5.500 . 5.500 5.404 5.185 5.611 0.111 9 0 "[ . 1 . 2]" 1
613 1 53 GLN HA 1 54 ILE H 4.220 . 4.220 2.290 2.216 2.385 . 0 0 "[ . 1 . 2]" 1
614 1 53 GLN HA 1 66 VAL HB 4.960 . 4.960 4.875 4.171 5.064 0.104 2 0 "[ . 1 . 2]" 1
615 1 53 GLN HA 1 66 VAL QG 5.960 . 5.960 3.522 2.388 4.078 . 0 0 "[ . 1 . 2]" 1
616 1 53 GLN HA 1 97 ILE MG 6.300 . 6.300 4.442 3.938 6.444 0.144 20 0 "[ . 1 . 2]" 1
617 1 53 GLN HA 1 98 TYR QB 5.980 . 5.980 5.111 4.689 6.196 0.216 10 0 "[ . 1 . 2]" 1
618 1 53 GLN QB 1 54 ILE H 5.540 . 5.540 3.397 2.899 3.627 . 0 0 "[ . 1 . 2]" 1
619 1 53 GLN QB 1 55 VAL H 6.110 . 6.110 4.687 4.123 5.142 . 0 0 "[ . 1 . 2]" 1
620 1 53 GLN QB 1 97 ILE MG 6.410 . 6.410 4.171 3.711 5.706 . 0 0 "[ . 1 . 2]" 1
621 1 53 GLN QB 1 99 VAL H 6.080 . 6.080 4.879 4.234 5.231 . 0 0 "[ . 1 . 2]" 1
622 1 53 GLN QB 1 99 VAL MG1 8.200 . 8.200 5.337 4.435 5.709 . 0 0 "[ . 1 . 2]" 1
623 1 53 GLN QG 1 55 VAL H 6.810 . 6.810 4.607 3.782 6.105 . 0 0 "[ . 1 . 2]" 1
624 1 53 GLN QG 1 55 VAL MG2 5.990 . 5.990 3.216 2.404 4.552 . 0 0 "[ . 1 . 2]" 1
625 1 53 GLN QG 1 98 TYR H 5.300 . 5.300 4.345 3.602 5.326 0.026 10 0 "[ . 1 . 2]" 1
626 1 53 GLN QG 1 98 TYR QB 5.680 . 5.680 3.871 2.752 5.746 0.066 10 0 "[ . 1 . 2]" 1
627 1 53 GLN N 1 98 TYR O 3.300 2.700 3.300 2.555 2.525 2.608 0.175 20 0 "[ . 1 . 2]" 1
628 1 53 GLN O 1 98 TYR H 2.200 . 2.200 2.039 1.871 2.232 0.032 10 0 "[ . 1 . 2]" 1
629 1 53 GLN O 1 98 TYR N 3.300 2.700 3.300 2.866 2.765 3.007 . 0 0 "[ . 1 . 2]" 1
630 1 54 ILE H 1 54 ILE HB . . 4.140 2.578 2.515 2.704 . 0 0 "[ . 1 . 2]" 1
631 1 54 ILE H 1 54 ILE MD . . 5.000 3.363 1.906 3.765 . 0 0 "[ . 1 . 2]" 1
632 1 54 ILE H 1 97 ILE HA 5.000 . 5.000 5.020 4.873 5.108 0.108 19 0 "[ . 1 . 2]" 1
633 1 54 ILE H 1 97 ILE MD 7.620 . 7.620 5.860 4.056 6.610 . 0 0 "[ . 1 . 2]" 1
634 1 54 ILE H 1 97 ILE MG 6.750 . 6.750 4.733 4.350 6.782 0.032 20 0 "[ . 1 . 2]" 1
635 1 54 ILE H 1 98 TYR QB 6.280 . 6.280 5.389 4.933 6.180 . 0 0 "[ . 1 . 2]" 1
636 1 54 ILE HA 1 55 VAL H 4.550 . 4.550 2.174 2.147 2.194 . 0 0 "[ . 1 . 2]" 1
637 1 54 ILE HA 1 55 VAL MG2 5.240 . 5.240 3.715 3.601 3.817 . 0 0 "[ . 1 . 2]" 1
638 1 54 ILE HA 1 95 LEU QD 7.000 . 7.000 4.286 3.007 5.172 . 0 0 "[ . 1 . 2]" 1
639 1 54 ILE HA 1 96 GLN HA 6.600 . 6.600 6.251 5.964 6.416 . 0 0 "[ . 1 . 2]" 1
640 1 54 ILE HA 1 97 ILE H 5.500 . 5.500 5.323 5.030 5.433 . 0 0 "[ . 1 . 2]" 1
641 1 54 ILE HA 1 97 ILE MD 5.460 . 5.460 4.027 1.994 4.682 . 0 0 "[ . 1 . 2]" 1
642 1 54 ILE HA 1 97 ILE QG 5.020 . 5.020 3.115 2.593 4.281 . 0 0 "[ . 1 . 2]" 1
643 1 54 ILE HA 1 97 ILE MG 5.960 . 5.960 3.515 3.141 5.233 . 0 0 "[ . 1 . 2]" 1
644 1 54 ILE HB 1 55 VAL H 4.980 . 4.980 4.398 4.312 4.699 . 0 0 "[ . 1 . 2]" 1
645 1 54 ILE HB 1 65 ARG HA 6.000 . 6.000 5.853 4.790 6.304 0.304 11 0 "[ . 1 . 2]" 1
646 1 54 ILE HB 1 95 LEU QD 7.700 . 7.700 4.881 4.069 5.853 . 0 0 "[ . 1 . 2]" 1
647 1 54 ILE MD 1 64 PHE HA 7.390 . 7.390 5.403 4.236 6.460 . 0 0 "[ . 1 . 2]" 1
648 1 54 ILE MD 1 64 PHE HB2 6.600 . 6.600 4.287 2.589 6.696 0.096 8 0 "[ . 1 . 2]" 1
649 1 54 ILE MD 1 64 PHE HB3 6.270 . 6.270 4.945 2.850 6.119 . 0 0 "[ . 1 . 2]" 1
650 1 54 ILE MD 1 65 ARG H 6.600 . 6.600 4.316 3.448 5.431 . 0 0 "[ . 1 . 2]" 1
651 1 54 ILE MD 1 65 ARG HA 4.090 . 4.090 2.767 2.092 4.178 0.088 19 0 "[ . 1 . 2]" 1
652 1 54 ILE MD 1 66 VAL H 5.500 . 5.500 3.042 2.323 4.329 . 0 0 "[ . 1 . 2]" 1
653 1 54 ILE MD 1 66 VAL HA 6.700 . 6.700 4.371 3.773 4.977 . 0 0 "[ . 1 . 2]" 1
654 1 54 ILE MD 1 66 VAL HB 5.500 . 5.500 3.664 2.280 4.942 . 0 0 "[ . 1 . 2]" 1
655 1 54 ILE MD 1 76 VAL HA 7.200 . 7.200 5.452 4.683 6.402 . 0 0 "[ . 1 . 2]" 1
656 1 54 ILE MD 1 77 VAL H 7.700 . 7.700 5.704 4.966 6.673 . 0 0 "[ . 1 . 2]" 1
657 1 54 ILE MD 1 97 ILE MD 7.000 . 7.000 4.405 2.670 5.464 . 0 0 "[ . 1 . 2]" 1
658 1 54 ILE MD 1 97 ILE MG 6.750 . 6.750 4.694 2.770 6.553 . 0 0 "[ . 1 . 2]" 1
659 1 54 ILE HG12 1 57 SER QB 7.120 . 7.120 6.378 4.693 7.115 . 0 0 "[ . 1 . 2]" 1
660 1 54 ILE HG12 1 66 VAL HA 6.390 . 6.390 5.864 5.418 6.506 0.116 19 0 "[ . 1 . 2]" 1
661 1 54 ILE HG13 1 97 ILE HB 6.600 . 6.600 6.442 5.827 6.727 0.127 11 0 "[ . 1 . 2]" 1
662 1 54 ILE MG 1 55 VAL H 5.000 . 5.000 3.058 2.811 3.948 . 0 0 "[ . 1 . 2]" 1
663 1 54 ILE MG 1 56 ASN HA 6.600 . 6.600 4.173 3.998 4.755 . 0 0 "[ . 1 . 2]" 1
664 1 54 ILE MG 1 57 SER H 6.330 . 6.330 5.071 4.657 5.972 . 0 0 "[ . 1 . 2]" 1
665 1 54 ILE MG 1 57 SER QB 5.500 . 5.500 3.893 3.329 4.523 . 0 0 "[ . 1 . 2]" 1
666 1 54 ILE MG 1 95 LEU HA 6.080 . 6.080 4.671 3.958 6.203 0.123 19 0 "[ . 1 . 2]" 1
667 1 54 ILE MG 1 97 ILE HA 5.750 . 5.750 4.310 4.030 5.407 . 0 0 "[ . 1 . 2]" 1
668 1 55 VAL H 1 55 VAL MG2 . . 3.900 2.522 2.330 2.648 . 0 0 "[ . 1 . 2]" 1
669 1 55 VAL H 1 56 ASN H 4.340 . 4.340 2.294 2.193 2.507 . 0 0 "[ . 1 . 2]" 1
670 1 55 VAL H 1 56 ASN HB2 5.270 . 5.270 5.032 4.920 5.228 . 0 0 "[ . 1 . 2]" 1
671 1 55 VAL H 1 95 LEU HA 5.920 . 5.920 5.908 5.754 6.008 0.088 5 0 "[ . 1 . 2]" 1
672 1 55 VAL H 1 96 GLN HA 5.170 . 5.170 5.122 5.084 5.165 . 0 0 "[ . 1 . 2]" 1
673 1 55 VAL H 1 96 GLN HB2 4.500 . 4.500 3.947 3.851 4.343 . 0 0 "[ . 1 . 2]" 1
674 1 55 VAL H 1 96 GLN HB3 5.330 . 5.330 4.503 4.262 4.671 . 0 0 "[ . 1 . 2]" 1
675 1 55 VAL H 1 97 ILE H 5.000 . 5.000 4.755 4.670 4.826 . 0 0 "[ . 1 . 2]" 1
676 1 55 VAL H 1 97 ILE HA 3.860 . 3.860 2.753 2.621 2.893 . 0 0 "[ . 1 . 2]" 1
677 1 55 VAL H 1 97 ILE MD 6.560 . 6.560 4.963 2.903 5.618 . 0 0 "[ . 1 . 2]" 1
678 1 55 VAL H 1 97 ILE MG 6.160 . 6.160 4.535 4.285 5.585 . 0 0 "[ . 1 . 2]" 1
679 1 55 VAL H 1 98 TYR H 4.130 . 4.130 3.543 3.284 3.743 . 0 0 "[ . 1 . 2]" 1
680 1 55 VAL H 1 98 TYR QB 5.230 . 5.230 4.363 4.050 4.636 . 0 0 "[ . 1 . 2]" 1
681 1 55 VAL H 1 108 LEU MD1 7.000 . 7.000 5.105 3.874 5.956 . 0 0 "[ . 1 . 2]" 1
682 1 55 VAL H 1 108 LEU HG 6.600 . 6.600 6.170 5.747 6.651 0.051 14 0 "[ . 1 . 2]" 1
683 1 55 VAL HA 1 56 ASN H 4.690 . 4.690 3.575 3.557 3.592 . 0 0 "[ . 1 . 2]" 1
684 1 55 VAL HA 1 96 GLN H 6.600 . 6.600 6.421 6.243 6.612 0.012 9 0 "[ . 1 . 2]" 1
685 1 55 VAL HA 1 96 GLN HB2 5.310 . 5.310 5.126 4.872 5.368 0.058 1 0 "[ . 1 . 2]" 1
686 1 55 VAL HA 1 96 GLN HB3 5.850 . 5.850 5.804 5.445 5.936 0.086 12 0 "[ . 1 . 2]" 1
687 1 55 VAL HA 1 98 TYR H 5.500 . 5.500 5.345 5.145 5.519 0.019 6 0 "[ . 1 . 2]" 1
688 1 55 VAL HA 1 98 TYR QB 6.000 . 6.000 4.854 4.621 5.149 . 0 0 "[ . 1 . 2]" 1
689 1 55 VAL HB 1 56 ASN H 5.080 . 5.080 2.725 2.672 2.781 . 0 0 "[ . 1 . 2]" 1
690 1 55 VAL HB 1 96 GLN HB2 6.060 . 6.060 2.834 2.550 3.146 . 0 0 "[ . 1 . 2]" 1
691 1 55 VAL HB 1 98 TYR H 4.590 . 4.590 4.195 4.072 4.300 . 0 0 "[ . 1 . 2]" 1
692 1 55 VAL HB 1 98 TYR QB 5.310 . 5.310 3.739 3.439 4.157 . 0 0 "[ . 1 . 2]" 1
693 1 55 VAL MG1 1 56 ASN H 5.030 . 5.030 3.547 3.497 3.589 . 0 0 "[ . 1 . 2]" 1
694 1 55 VAL MG1 1 56 ASN HA 5.680 . 5.680 4.097 4.003 4.228 . 0 0 "[ . 1 . 2]" 1
695 1 55 VAL MG1 1 96 GLN HB3 5.170 . 5.170 3.692 3.310 3.954 . 0 0 "[ . 1 . 2]" 1
696 1 55 VAL MG1 1 98 TYR QB 6.060 . 6.060 3.774 3.611 4.111 . 0 0 "[ . 1 . 2]" 1
697 1 55 VAL MG2 1 56 ASN HA 6.690 . 6.690 5.654 5.626 5.697 . 0 0 "[ . 1 . 2]" 1
698 1 55 VAL MG2 1 96 GLN HB2 5.500 . 5.500 4.420 4.202 4.673 . 0 0 "[ . 1 . 2]" 1
699 1 55 VAL MG2 1 96 GLN HB3 6.000 . 6.000 4.134 3.721 4.348 . 0 0 "[ . 1 . 2]" 1
700 1 55 VAL MG2 1 97 ILE HA 4.440 . 4.440 3.275 3.069 3.523 . 0 0 "[ . 1 . 2]" 1
701 1 55 VAL MG2 1 98 TYR H 3.580 . 3.580 2.397 2.236 2.569 . 0 0 "[ . 1 . 2]" 1
702 1 55 VAL MG2 1 98 TYR HA 5.500 . 5.500 3.898 3.662 4.150 . 0 0 "[ . 1 . 2]" 1
703 1 55 VAL MG2 1 98 TYR QB 4.350 . 4.350 1.871 1.779 1.971 0.021 20 0 "[ . 1 . 2]" 1
704 1 56 ASN H 1 57 SER H 5.090 . 5.090 4.446 4.398 4.472 . 0 0 "[ . 1 . 2]" 1
705 1 56 ASN H 1 95 LEU QD 6.730 . 6.730 4.345 3.086 5.104 . 0 0 "[ . 1 . 2]" 1
706 1 56 ASN H 1 96 GLN H 5.000 . 5.000 2.876 2.722 3.056 . 0 0 "[ . 1 . 2]" 1
707 1 56 ASN H 1 96 GLN HA 4.510 . 4.510 4.471 4.419 4.543 0.033 13 0 "[ . 1 . 2]" 1
708 1 56 ASN H 1 96 GLN HB2 3.810 . 3.810 2.379 2.231 2.755 . 0 0 "[ . 1 . 2]" 1
709 1 56 ASN H 1 96 GLN HB3 4.130 . 4.130 3.727 3.524 3.900 . 0 0 "[ . 1 . 2]" 1
710 1 56 ASN H 1 96 GLN O 2.200 . 2.200 2.200 2.130 2.246 0.046 6 0 "[ . 1 . 2]" 1
711 1 56 ASN H 1 97 ILE H 5.000 . 5.000 5.077 5.024 5.133 0.133 2 0 "[ . 1 . 2]" 1
712 1 56 ASN H 1 97 ILE HA 4.240 . 4.240 4.332 4.270 4.390 0.150 6 0 "[ . 1 . 2]" 1
713 1 56 ASN H 1 97 ILE MD 7.350 . 7.350 5.636 3.737 6.655 . 0 0 "[ . 1 . 2]" 1
714 1 56 ASN H 1 97 ILE MG 7.580 . 7.580 5.970 5.774 6.466 . 0 0 "[ . 1 . 2]" 1
715 1 56 ASN H 1 98 TYR H 5.500 . 5.500 5.509 5.370 5.584 0.084 13 0 "[ . 1 . 2]" 1
716 1 56 ASN H 1 108 LEU HG 6.430 . 6.430 6.545 6.387 6.655 0.225 20 0 "[ . 1 . 2]" 1
717 1 56 ASN HA 1 57 SER H 4.080 . 4.080 2.347 2.215 2.433 . 0 0 "[ . 1 . 2]" 1
718 1 56 ASN HA 1 57 SER HA 5.080 . 5.080 4.521 4.460 4.562 . 0 0 "[ . 1 . 2]" 1
719 1 56 ASN HA 1 96 GLN H 5.000 . 5.000 4.378 4.252 4.509 . 0 0 "[ . 1 . 2]" 1
720 1 56 ASN HA 1 96 GLN HB2 5.050 . 5.050 4.095 4.011 4.355 . 0 0 "[ . 1 . 2]" 1
721 1 56 ASN HB2 1 57 SER H 4.460 . 4.460 3.938 3.825 4.150 . 0 0 "[ . 1 . 2]" 1
722 1 56 ASN HB2 1 95 LEU HA 5.760 . 5.760 5.770 5.523 5.932 0.172 17 0 "[ . 1 . 2]" 1
723 1 56 ASN HB2 1 96 GLN H 4.510 . 4.510 4.083 3.786 4.209 . 0 0 "[ . 1 . 2]" 1
724 1 56 ASN HB2 1 96 GLN QG 5.240 . 5.240 3.617 2.688 4.237 . 0 0 "[ . 1 . 2]" 1
725 1 56 ASN HB2 1 108 LEU MD1 7.310 . 7.310 5.317 4.985 5.617 . 0 0 "[ . 1 . 2]" 1
726 1 56 ASN HB2 1 108 LEU MD2 7.530 . 7.530 5.834 4.841 6.434 . 0 0 "[ . 1 . 2]" 1
727 1 56 ASN HB3 1 57 SER H 4.480 . 4.480 3.289 2.988 3.530 . 0 0 "[ . 1 . 2]" 1
728 1 56 ASN HB3 1 96 GLN HA 4.800 . 4.800 4.611 4.447 4.832 0.032 5 0 "[ . 1 . 2]" 1
729 1 56 ASN HB3 1 96 GLN HB3 6.800 . 6.800 3.716 3.577 3.949 . 0 0 "[ . 1 . 2]" 1
730 1 56 ASN HB3 1 96 GLN QG 4.390 . 4.390 2.520 2.055 3.645 . 0 0 "[ . 1 . 2]" 1
731 1 56 ASN N 1 96 GLN O 3.300 2.700 3.300 3.128 3.069 3.172 . 0 0 "[ . 1 . 2]" 1
732 1 56 ASN O 1 96 GLN H . . 2.300 1.981 1.840 2.145 . 0 0 "[ . 1 . 2]" 1
733 1 56 ASN O 1 96 GLN N 3.300 2.700 3.300 2.793 2.720 2.916 . 0 0 "[ . 1 . 2]" 1
734 1 57 SER H 1 58 ASN H 4.580 . 4.580 4.359 4.280 4.400 . 0 0 "[ . 1 . 2]" 1
735 1 57 SER H 1 96 GLN H 5.000 . 5.000 4.406 4.215 4.646 . 0 0 "[ . 1 . 2]" 1
736 1 57 SER HA 1 58 ASN H 4.320 . 4.320 2.310 2.236 2.392 . 0 0 "[ . 1 . 2]" 1
737 1 57 SER HA 1 93 PHE HA 6.210 . 6.210 6.291 6.013 6.433 0.223 10 0 "[ . 1 . 2]" 1
738 1 57 SER HA 1 93 PHE QB 5.000 . 5.000 4.498 4.110 4.671 . 0 0 "[ . 1 . 2]" 1
739 1 57 SER HA 1 94 ASP H 5.500 . 5.500 4.909 4.676 5.070 . 0 0 "[ . 1 . 2]" 1
740 1 57 SER HA 1 94 ASP HB2 7.000 . 7.000 4.987 4.879 5.181 . 0 0 "[ . 1 . 2]" 1
741 1 57 SER HA 1 95 LEU H 5.000 . 5.000 4.618 4.452 4.858 . 0 0 "[ . 1 . 2]" 1
742 1 57 SER HA 1 95 LEU HA 5.100 . 5.100 2.191 2.050 2.505 . 0 0 "[ . 1 . 2]" 1
743 1 57 SER HA 1 96 GLN H 4.230 . 4.230 3.466 3.351 3.578 . 0 0 "[ . 1 . 2]" 1
744 1 57 SER HA 1 111 LEU H 7.000 . 7.000 6.381 6.074 6.605 . 0 0 "[ . 1 . 2]" 1
745 1 57 SER HA 1 112 THR HA 7.700 . 7.700 7.113 6.934 7.357 . 0 0 "[ . 1 . 2]" 1
746 1 57 SER QB 1 58 ASN H 4.690 . 4.690 2.819 2.608 3.569 . 0 0 "[ . 1 . 2]" 1
747 1 57 SER QB 1 61 THR MG 5.740 . 5.740 2.480 1.826 4.926 . 0 0 "[ . 1 . 2]" 1
748 1 57 SER QB 1 93 PHE HA 7.770 . 7.770 6.254 5.964 7.016 . 0 0 "[ . 1 . 2]" 1
749 1 57 SER QB 1 93 PHE QB . . 5.000 3.998 3.701 4.660 . 0 0 "[ . 1 . 2]" 1
750 1 57 SER QB 1 94 ASP HA 7.700 . 7.700 6.289 5.941 6.692 . 0 0 "[ . 1 . 2]" 1
751 1 57 SER QB 1 95 LEU H 6.800 . 6.800 5.747 5.328 6.251 . 0 0 "[ . 1 . 2]" 1
752 1 57 SER QB 1 95 LEU HA 5.110 . 5.110 3.683 3.337 4.219 . 0 0 "[ . 1 . 2]" 1
753 1 57 SER QB 1 96 GLN H 5.880 . 5.880 4.788 4.390 5.305 . 0 0 "[ . 1 . 2]" 1
754 1 58 ASN H 1 59 PRO HA 5.660 . 5.660 5.243 5.105 5.391 . 0 0 "[ . 1 . 2]" 1
755 1 58 ASN H 1 93 PHE H 6.600 . 6.600 6.065 5.869 6.193 . 0 0 "[ . 1 . 2]" 1
756 1 58 ASN H 1 93 PHE HA 4.790 . 4.790 4.213 3.969 4.387 . 0 0 "[ . 1 . 2]" 1
757 1 58 ASN H 1 93 PHE QB 3.900 . 3.900 2.541 2.245 2.797 . 0 0 "[ . 1 . 2]" 1
758 1 58 ASN H 1 94 ASP H 4.020 . 4.020 3.214 2.962 3.449 . 0 0 "[ . 1 . 2]" 1
759 1 58 ASN H 1 94 ASP HA 5.000 . 5.000 4.738 4.604 4.870 . 0 0 "[ . 1 . 2]" 1
760 1 58 ASN H 1 94 ASP HB2 4.300 . 4.300 4.224 4.002 4.378 0.078 11 0 "[ . 1 . 2]" 1
761 1 58 ASN H 1 94 ASP HB3 5.500 . 5.500 5.326 5.141 5.475 . 0 0 "[ . 1 . 2]" 1
762 1 58 ASN H 1 95 LEU H 5.000 . 5.000 5.019 4.829 5.172 0.172 3 0 "[ . 1 . 2]" 1
763 1 58 ASN H 1 95 LEU HA 4.430 . 4.430 3.833 3.570 4.009 . 0 0 "[ . 1 . 2]" 1
764 1 58 ASN H 1 95 LEU QB 5.840 . 5.840 5.033 4.256 5.464 . 0 0 "[ . 1 . 2]" 1
765 1 58 ASN H 1 95 LEU HG 5.940 . 5.940 4.432 3.210 6.069 0.129 12 0 "[ . 1 . 2]" 1
766 1 58 ASN HB2 1 92 ILE QG 7.370 . 7.370 6.518 5.939 7.302 . 0 0 "[ . 1 . 2]" 1
767 1 58 ASN HB2 1 94 ASP HA 4.910 . 4.910 4.720 4.584 4.907 . 0 0 "[ . 1 . 2]" 1
768 1 58 ASN HB2 1 112 THR HA 7.000 . 7.000 6.528 6.325 6.779 . 0 0 "[ . 1 . 2]" 1
769 1 58 ASN HB3 1 92 ILE QG 6.600 . 6.600 5.655 5.244 6.392 . 0 0 "[ . 1 . 2]" 1
770 1 58 ASN HB3 1 93 PHE H 4.790 . 4.790 4.797 4.746 4.894 0.104 10 0 "[ . 1 . 2]" 1
771 1 58 ASN HB3 1 93 PHE HA 5.310 . 5.310 2.156 2.088 2.321 . 0 0 "[ . 1 . 2]" 1
772 1 58 ASN HB3 1 93 PHE QB 5.000 . 5.000 1.993 1.913 2.038 . 0 0 "[ . 1 . 2]" 1
773 1 58 ASN HB3 1 94 ASP H 3.690 . 3.690 1.941 1.911 2.014 . 0 0 "[ . 1 . 2]" 1
774 1 58 ASN HB3 1 94 ASP HA 5.320 . 5.320 4.682 4.581 4.827 . 0 0 "[ . 1 . 2]" 1
775 1 59 PRO HA 1 60 LEU H 5.120 . 5.120 3.635 3.622 3.657 . 0 0 "[ . 1 . 2]" 1
776 1 59 PRO HA 1 60 LEU HA 5.110 . 5.110 2.140 2.028 2.348 . 0 0 "[ . 1 . 2]" 1
777 1 59 PRO HA 1 61 THR H 4.030 . 4.030 2.615 2.173 3.092 . 0 0 "[ . 1 . 2]" 1
778 1 59 PRO HA 1 93 PHE HA 6.830 . 6.830 6.721 6.467 6.885 0.055 7 0 "[ . 1 . 2]" 1
779 1 59 PRO HB2 1 60 LEU H 4.800 . 4.800 3.859 3.630 4.113 . 0 0 "[ . 1 . 2]" 1
780 1 59 PRO HB3 1 60 LEU H 5.010 . 5.010 4.848 4.440 5.025 0.015 11 0 "[ . 1 . 2]" 1
781 1 59 PRO QD 1 93 PHE HA 6.840 . 6.840 6.020 5.846 6.130 . 0 0 "[ . 1 . 2]" 1
782 1 59 PRO QD 1 93 PHE QB . . 5.000 4.769 4.704 4.822 . 0 0 "[ . 1 . 2]" 1
783 1 60 LEU H 1 60 LEU QB 3.770 . 3.770 2.307 2.171 2.396 . 0 0 "[ . 1 . 2]" 1
784 1 60 LEU H 1 60 LEU QD 5.000 . 5.000 3.316 2.199 3.829 . 0 0 "[ . 1 . 2]" 1
785 1 60 LEU H 1 60 LEU HG 5.630 . 5.630 3.784 2.440 4.488 . 0 0 "[ . 1 . 2]" 1
786 1 60 LEU H 1 61 THR H 5.240 . 5.240 4.508 4.300 4.636 . 0 0 "[ . 1 . 2]" 1
787 1 60 LEU HA 1 61 THR H 4.150 . 4.150 2.195 2.112 2.294 . 0 0 "[ . 1 . 2]" 1
788 1 60 LEU HA 1 61 THR MG 6.530 . 6.530 4.178 3.426 5.527 . 0 0 "[ . 1 . 2]" 1
789 1 60 LEU QB 1 61 THR H 4.510 . 4.510 3.423 2.813 3.935 . 0 0 "[ . 1 . 2]" 1
790 1 60 LEU QD 1 61 THR H 5.600 . 5.600 3.028 2.281 4.035 . 0 0 "[ . 1 . 2]" 1
791 1 60 LEU HG 1 61 THR H 4.850 . 4.850 3.936 2.453 4.964 0.114 18 0 "[ . 1 . 2]" 1
792 1 61 THR H 1 62 GLU H 5.360 . 5.360 4.328 4.112 4.606 . 0 0 "[ . 1 . 2]" 1
793 1 61 THR HA 1 62 GLU H 4.480 . 4.480 2.178 2.111 2.360 . 0 0 "[ . 1 . 2]" 1
794 1 61 THR HB 1 62 GLU H 5.150 . 5.150 3.848 2.456 4.360 . 0 0 "[ . 1 . 2]" 1
795 1 61 THR HB 1 93 PHE QB 5.000 . 5.000 3.923 3.015 4.891 . 0 0 "[ . 1 . 2]" 1
796 1 61 THR MG 1 62 GLU H 5.260 . 5.260 3.568 2.582 4.152 . 0 0 "[ . 1 . 2]" 1
797 1 61 THR MG 1 93 PHE QB 5.000 . 5.000 3.383 2.175 4.691 . 0 0 "[ . 1 . 2]" 1
798 1 62 GLU H 1 62 GLU HG2 4.720 . 4.720 3.727 1.977 4.927 0.207 17 0 "[ . 1 . 2]" 1
799 1 62 GLU H 1 62 GLU HG3 4.720 . 4.720 3.872 2.814 4.753 0.033 3 0 "[ . 1 . 2]" 1
800 1 62 GLU H 1 63 ALA H 4.790 . 4.790 4.399 3.898 4.621 . 0 0 "[ . 1 . 2]" 1
801 1 62 GLU H 1 63 ALA MB 6.600 . 6.600 4.846 3.561 5.896 . 0 0 "[ . 1 . 2]" 1
802 1 62 GLU HA 1 82 GLU HA 7.700 . 7.700 7.263 5.852 7.853 0.153 11 0 "[ . 1 . 2]" 1
803 1 62 GLU HG3 1 63 ALA H 5.320 . 5.320 4.185 2.339 5.036 . 0 0 "[ . 1 . 2]" 1
804 1 62 GLU HG3 1 63 ALA MB 6.910 . 6.910 4.945 2.642 5.923 . 0 0 "[ . 1 . 2]" 1
805 1 63 ALA H 1 64 PHE H 5.180 . 5.180 3.623 2.289 4.647 . 0 0 "[ . 1 . 2]" 1
806 1 63 ALA H 1 64 PHE HA 5.970 . 5.970 5.451 4.519 5.886 . 0 0 "[ . 1 . 2]" 1
807 1 63 ALA H 1 82 GLU QB 6.000 . 6.000 4.708 2.433 6.153 0.153 12 0 "[ . 1 . 2]" 1
808 1 63 ALA HA 1 64 PHE H 5.140 . 5.140 2.350 2.099 3.014 . 0 0 "[ . 1 . 2]" 1
809 1 63 ALA HA 1 79 THR H 5.000 . 5.000 4.137 2.810 5.163 0.163 6 0 "[ . 1 . 2]" 1
810 1 63 ALA HA 1 80 GLY H 7.000 . 7.000 3.695 1.943 5.582 . 0 0 "[ . 1 . 2]" 1
811 1 63 ALA HA 1 82 GLU H 5.000 . 5.000 4.248 2.995 5.107 0.107 2 0 "[ . 1 . 2]" 1
812 1 63 ALA HA 1 82 GLU QB 7.000 . 7.000 5.432 3.656 7.048 0.048 5 0 "[ . 1 . 2]" 1
813 1 63 ALA MB 1 64 PHE H 4.500 . 4.500 3.422 2.895 3.771 . 0 0 "[ . 1 . 2]" 1
814 1 63 ALA MB 1 79 THR H 4.780 . 4.780 2.743 1.826 3.921 . 0 0 "[ . 1 . 2]" 1
815 1 63 ALA MB 1 82 GLU H 6.920 . 6.920 3.673 2.261 4.595 . 0 0 "[ . 1 . 2]" 1
816 1 63 ALA MB 1 82 GLU QB 6.180 . 6.180 4.409 3.624 5.535 . 0 0 "[ . 1 . 2]" 1
817 1 63 ALA MB 1 84 LEU H 6.000 . 6.000 3.897 2.547 5.744 . 0 0 "[ . 1 . 2]" 1
818 1 63 ALA MB 1 84 LEU QD 7.700 . 7.700 3.331 1.917 4.741 . 0 0 "[ . 1 . 2]" 1
819 1 63 ALA MB 1 84 LEU HG 6.000 . 6.000 4.382 1.908 6.109 0.109 5 0 "[ . 1 . 2]" 1
820 1 64 PHE H 1 64 PHE HB3 4.260 . 4.260 3.467 2.820 3.885 . 0 0 "[ . 1 . 2]" 1
821 1 64 PHE H 1 65 ARG H 5.460 . 5.460 4.334 4.137 4.453 . 0 0 "[ . 1 . 2]" 1
822 1 64 PHE H 1 65 ARG HB3 5.400 . 5.400 4.884 4.258 5.465 0.065 16 0 "[ . 1 . 2]" 1
823 1 64 PHE H 1 77 VAL H 6.820 . 6.820 6.937 6.842 7.027 0.207 14 0 "[ . 1 . 2]" 1
824 1 64 PHE H 1 78 THR HA 4.780 . 4.780 4.708 4.242 4.960 0.180 5 0 "[ . 1 . 2]" 1
825 1 64 PHE H 1 79 THR H 5.000 . 5.000 4.301 3.418 5.069 0.069 7 0 "[ . 1 . 2]" 1
826 1 64 PHE H 1 79 THR HA 6.600 . 6.600 5.707 5.077 6.283 . 0 0 "[ . 1 . 2]" 1
827 1 64 PHE HA 1 65 ARG H 4.380 . 4.380 2.269 2.124 2.399 . 0 0 "[ . 1 . 2]" 1
828 1 64 PHE HA 1 66 VAL H 6.600 . 6.600 6.387 6.013 6.559 . 0 0 "[ . 1 . 2]" 1
829 1 64 PHE HA 1 76 VAL MG1 5.320 . 5.320 3.396 3.176 3.756 . 0 0 "[ . 1 . 2]" 1
830 1 64 PHE HA 1 76 VAL MG2 6.760 . 6.760 5.783 5.334 6.167 . 0 0 "[ . 1 . 2]" 1
831 1 64 PHE HA 1 79 THR H 5.110 . 5.110 3.523 1.956 4.465 . 0 0 "[ . 1 . 2]" 1
832 1 64 PHE HB2 1 65 ARG H 4.990 . 4.990 3.192 2.470 4.374 . 0 0 "[ . 1 . 2]" 1
833 1 64 PHE HB2 1 66 VAL H 7.120 . 7.120 6.375 5.302 7.387 0.267 11 0 "[ . 1 . 2]" 1
834 1 64 PHE HB2 1 76 VAL MG1 5.720 . 5.720 3.190 2.088 4.513 . 0 0 "[ . 1 . 2]" 1
835 1 64 PHE HB2 1 76 VAL MG2 7.940 . 7.940 5.090 4.385 6.275 . 0 0 "[ . 1 . 2]" 1
836 1 64 PHE HB3 1 65 ARG H 5.060 . 5.060 3.685 2.679 4.265 . 0 0 "[ . 1 . 2]" 1
837 1 64 PHE HB3 1 76 VAL MG1 5.720 . 5.720 3.528 2.045 4.790 . 0 0 "[ . 1 . 2]" 1
838 1 64 PHE HB3 1 77 VAL H 7.000 . 7.000 5.947 4.202 7.027 0.027 8 0 "[ . 1 . 2]" 1
839 1 65 ARG H 1 66 VAL H 5.390 . 5.390 4.334 4.048 4.406 . 0 0 "[ . 1 . 2]" 1
840 1 65 ARG H 1 66 VAL HA 4.750 . 4.750 4.664 4.533 4.766 0.016 20 0 "[ . 1 . 2]" 1
841 1 65 ARG H 1 67 ASN H 6.250 . 6.250 6.159 5.867 6.413 0.163 16 0 "[ . 1 . 2]" 1
842 1 65 ARG H 1 76 VAL HA 4.440 . 4.440 4.025 3.823 4.131 . 0 0 "[ . 1 . 2]" 1
843 1 65 ARG H 1 76 VAL HB 5.380 . 5.380 5.344 5.103 5.477 0.097 8 0 "[ . 1 . 2]" 1
844 1 65 ARG H 1 76 VAL MG1 3.600 . 3.600 2.549 2.300 2.737 . 0 0 "[ . 1 . 2]" 1
845 1 65 ARG H 1 76 VAL MG2 5.500 . 5.500 4.572 4.327 4.699 . 0 0 "[ . 1 . 2]" 1
846 1 65 ARG H 1 77 VAL MG1 6.600 . 6.600 4.874 4.690 5.060 . 0 0 "[ . 1 . 2]" 1
847 1 65 ARG H 1 77 VAL O 2.200 . 2.200 2.307 2.175 2.399 0.199 8 0 "[ . 1 . 2]" 1
848 1 65 ARG H 1 78 THR HA 4.420 . 4.420 4.156 3.934 4.300 . 0 0 "[ . 1 . 2]" 1
849 1 65 ARG H 1 79 THR H 6.040 . 6.040 4.813 3.250 6.077 0.037 1 0 "[ . 1 . 2]" 1
850 1 65 ARG HA 1 66 VAL H 4.120 . 4.120 2.338 2.110 2.463 . 0 0 "[ . 1 . 2]" 1
851 1 65 ARG HA 1 66 VAL HB 5.620 . 5.620 4.803 4.420 5.715 0.095 4 0 "[ . 1 . 2]" 1
852 1 65 ARG HA 1 66 VAL QG 6.030 . 6.030 3.402 3.125 3.829 . 0 0 "[ . 1 . 2]" 1
853 1 65 ARG HA 1 76 VAL HA 5.500 . 5.500 5.320 5.118 5.453 . 0 0 "[ . 1 . 2]" 1
854 1 65 ARG HA 1 76 VAL MG1 5.860 . 5.860 4.217 3.767 4.617 . 0 0 "[ . 1 . 2]" 1
855 1 65 ARG HA 1 76 VAL MG2 7.000 . 7.000 5.411 4.889 5.914 . 0 0 "[ . 1 . 2]" 1
856 1 65 ARG HA 1 77 VAL H 5.000 . 5.000 4.617 4.300 4.787 . 0 0 "[ . 1 . 2]" 1
857 1 65 ARG HB2 1 66 VAL H 4.450 . 4.450 3.125 2.364 4.211 . 0 0 "[ . 1 . 2]" 1
858 1 65 ARG HB2 1 66 VAL HA 5.710 . 5.710 5.209 4.626 5.974 0.264 12 0 "[ . 1 . 2]" 1
859 1 65 ARG HB2 1 77 VAL MG1 6.980 . 6.980 5.320 4.233 6.316 . 0 0 "[ . 1 . 2]" 1
860 1 65 ARG HB2 1 80 GLY HA3 6.000 . 6.000 6.054 5.734 6.246 0.246 3 0 "[ . 1 . 2]" 1
861 1 65 ARG HB3 1 66 VAL H 4.550 . 4.550 3.936 3.725 4.509 . 0 0 "[ . 1 . 2]" 1
862 1 65 ARG HB3 1 77 VAL MG1 7.320 . 7.320 4.737 3.099 6.084 . 0 0 "[ . 1 . 2]" 1
863 1 65 ARG HB3 1 77 VAL MG2 7.430 . 7.430 5.168 3.750 6.364 . 0 0 "[ . 1 . 2]" 1
864 1 65 ARG HB3 1 80 GLY H 7.000 . 7.000 6.353 5.417 7.052 0.052 4 0 "[ . 1 . 2]" 1
865 1 65 ARG QD 1 66 VAL H 6.620 . 6.620 3.665 1.875 5.589 . 0 0 "[ . 1 . 2]" 1
866 1 65 ARG HG3 1 66 VAL H 5.290 . 5.290 3.305 1.949 4.519 . 0 0 "[ . 1 . 2]" 1
867 1 65 ARG HG3 1 77 VAL H 5.440 . 5.440 3.401 2.290 4.307 . 0 0 "[ . 1 . 2]" 1
868 1 65 ARG HG3 1 77 VAL HA 5.880 . 5.880 5.442 4.224 6.386 0.506 2 1 "[ + . 1 . 2]" 1
869 1 65 ARG HG3 1 77 VAL HB 6.800 . 6.800 2.809 2.080 3.617 . 0 0 "[ . 1 . 2]" 1
870 1 65 ARG HG3 1 77 VAL MG2 5.880 . 5.880 3.754 3.271 4.237 . 0 0 "[ . 1 . 2]" 1
871 1 65 ARG N 1 77 VAL O 3.300 2.700 3.300 2.913 2.646 3.164 0.054 16 0 "[ . 1 . 2]" 1
872 1 65 ARG O 1 77 VAL H 2.200 . 2.200 1.879 1.761 2.034 0.039 12 0 "[ . 1 . 2]" 1
873 1 65 ARG O 1 77 VAL N 3.300 2.700 3.300 2.816 2.715 2.936 . 0 0 "[ . 1 . 2]" 1
874 1 66 VAL H 1 66 VAL HB . . 4.260 2.801 2.464 3.772 . 0 0 "[ . 1 . 2]" 1
875 1 66 VAL H 1 66 VAL QG 3.940 . 3.940 2.323 1.855 2.656 . 0 0 "[ . 1 . 2]" 1
876 1 66 VAL H 1 76 VAL H 7.700 . 7.700 7.655 7.300 7.759 0.059 14 0 "[ . 1 . 2]" 1
877 1 66 VAL H 1 76 VAL HA 5.000 . 5.000 4.869 4.543 5.005 0.005 3 0 "[ . 1 . 2]" 1
878 1 66 VAL H 1 76 VAL MG2 6.600 . 6.600 5.094 4.399 5.638 . 0 0 "[ . 1 . 2]" 1
879 1 66 VAL H 1 77 VAL H 5.280 . 5.280 4.780 4.361 5.053 . 0 0 "[ . 1 . 2]" 1
880 1 66 VAL H 1 97 ILE MD 7.700 . 7.700 6.577 5.154 7.869 0.169 10 0 "[ . 1 . 2]" 1
881 1 66 VAL HA 1 67 ASN H 4.100 . 4.100 2.174 2.126 2.229 . 0 0 "[ . 1 . 2]" 1
882 1 66 VAL HA 1 67 ASN HA 4.680 . 4.680 4.430 4.408 4.463 . 0 0 "[ . 1 . 2]" 1
883 1 66 VAL HA 1 75 GLU H 6.000 . 6.000 4.803 4.458 5.123 . 0 0 "[ . 1 . 2]" 1
884 1 66 VAL HA 1 75 GLU QG 5.920 . 5.920 5.254 4.867 5.947 0.027 3 0 "[ . 1 . 2]" 1
885 1 66 VAL HA 1 76 VAL H 5.000 . 5.000 4.958 4.689 5.096 0.096 17 0 "[ . 1 . 2]" 1
886 1 66 VAL HA 1 76 VAL HA 5.090 . 5.090 2.571 2.370 2.768 . 0 0 "[ . 1 . 2]" 1
887 1 66 VAL HA 1 76 VAL MG1 5.540 . 5.540 3.763 3.503 4.006 . 0 0 "[ . 1 . 2]" 1
888 1 66 VAL HA 1 76 VAL MG2 4.730 . 4.730 3.195 2.790 3.602 . 0 0 "[ . 1 . 2]" 1
889 1 66 VAL HA 1 77 VAL H 4.110 . 4.110 3.634 3.464 3.784 . 0 0 "[ . 1 . 2]" 1
890 1 66 VAL HA 1 77 VAL HA 6.400 . 6.400 6.391 6.181 6.525 0.125 6 0 "[ . 1 . 2]" 1
891 1 66 VAL HA 1 77 VAL HB 5.580 . 5.580 5.301 5.054 5.515 . 0 0 "[ . 1 . 2]" 1
892 1 66 VAL HA 1 77 VAL MG2 5.870 . 5.870 4.411 4.127 4.650 . 0 0 "[ . 1 . 2]" 1
893 1 66 VAL HB 1 67 ASN H 4.880 . 4.880 4.095 3.100 4.373 . 0 0 "[ . 1 . 2]" 1
894 1 66 VAL QG 1 67 ASN H 4.720 . 4.720 2.815 2.611 3.520 . 0 0 "[ . 1 . 2]" 1
895 1 66 VAL QG 1 68 TRP H 7.540 . 7.540 4.177 3.703 5.306 . 0 0 "[ . 1 . 2]" 1
896 1 66 VAL QG 1 76 VAL H 7.700 . 7.700 4.853 4.403 5.347 . 0 0 "[ . 1 . 2]" 1
897 1 66 VAL QG 1 76 VAL HA 5.500 . 5.500 3.517 3.209 4.104 . 0 0 "[ . 1 . 2]" 1
898 1 66 VAL QG 1 76 VAL HB 7.700 . 7.700 5.050 4.509 6.078 . 0 0 "[ . 1 . 2]" 1
899 1 66 VAL QG 1 76 VAL MG1 7.740 . 7.740 3.539 3.092 4.747 . 0 0 "[ . 1 . 2]" 1
900 1 66 VAL QG 1 97 ILE MD 7.130 . 7.130 3.303 1.844 5.222 . 0 0 "[ . 1 . 2]" 1
901 1 66 VAL QG 1 97 ILE MG 6.520 . 6.520 3.129 2.559 4.393 . 0 0 "[ . 1 . 2]" 1
902 1 67 ASN H 1 69 LEU H 6.600 . 6.600 5.852 5.496 6.124 . 0 0 "[ . 1 . 2]" 1
903 1 67 ASN H 1 74 PHE HA 4.900 . 4.900 4.942 4.429 5.058 0.158 20 0 "[ . 1 . 2]" 1
904 1 67 ASN H 1 74 PHE HB2 5.060 . 5.060 3.883 3.612 5.334 0.274 17 0 "[ . 1 . 2]" 1
905 1 67 ASN H 1 75 GLU H 4.150 . 4.150 3.073 2.746 3.237 . 0 0 "[ . 1 . 2]" 1
906 1 67 ASN H 1 75 GLU HA 5.110 . 5.110 4.721 4.549 4.867 . 0 0 "[ . 1 . 2]" 1
907 1 67 ASN H 1 75 GLU HB3 5.820 . 5.820 5.812 5.620 5.912 0.092 1 0 "[ . 1 . 2]" 1
908 1 67 ASN H 1 75 GLU QG 4.600 . 4.600 3.815 3.403 4.256 . 0 0 "[ . 1 . 2]" 1
909 1 67 ASN H 1 76 VAL HA 4.080 . 4.080 3.375 3.136 3.521 . 0 0 "[ . 1 . 2]" 1
910 1 67 ASN H 1 76 VAL HB 6.250 . 6.250 6.197 5.970 6.319 0.069 16 0 "[ . 1 . 2]" 1
911 1 67 ASN H 1 77 VAL H 4.450 . 4.450 4.280 4.083 4.511 0.061 14 0 "[ . 1 . 2]" 1
912 1 67 ASN H 1 77 VAL HB 5.650 . 5.650 5.263 5.050 5.556 . 0 0 "[ . 1 . 2]" 1
913 1 67 ASN HA 1 68 TRP H 3.900 . 3.900 2.153 2.120 2.243 . 0 0 "[ . 1 . 2]" 1
914 1 67 ASN HA 1 69 LEU H 5.850 . 5.850 5.638 5.302 5.916 0.066 14 0 "[ . 1 . 2]" 1
915 1 67 ASN HA 1 75 GLU H 4.880 . 4.880 4.820 4.509 4.971 0.091 18 0 "[ . 1 . 2]" 1
916 1 67 ASN HA 1 75 GLU QG 7.000 . 7.000 5.178 4.499 5.765 . 0 0 "[ . 1 . 2]" 1
917 1 67 ASN HA 1 77 VAL MG2 6.910 . 6.910 4.658 4.023 5.032 . 0 0 "[ . 1 . 2]" 1
918 1 67 ASN HB2 1 68 TRP H 4.870 . 4.870 4.286 3.895 4.470 . 0 0 "[ . 1 . 2]" 1
919 1 67 ASN HB2 1 75 GLU H 4.830 . 4.830 4.578 3.554 4.934 0.104 14 0 "[ . 1 . 2]" 1
920 1 67 ASN HB2 1 75 GLU QG 5.090 . 5.090 3.842 2.910 4.471 . 0 0 "[ . 1 . 2]" 1
921 1 67 ASN HB2 1 76 VAL HA 5.260 . 5.260 4.991 4.690 5.267 0.007 16 0 "[ . 1 . 2]" 1
922 1 67 ASN HB2 1 77 VAL H 5.560 . 5.560 4.594 4.116 5.147 . 0 0 "[ . 1 . 2]" 1
923 1 67 ASN HB2 1 77 VAL MG1 6.730 . 6.730 4.647 4.087 5.384 . 0 0 "[ . 1 . 2]" 1
924 1 67 ASN HB2 1 77 VAL MG2 4.910 . 4.910 2.614 1.998 3.011 . 0 0 "[ . 1 . 2]" 1
925 1 67 ASN HB3 1 68 TRP H 4.840 . 4.840 3.961 2.667 4.350 . 0 0 "[ . 1 . 2]" 1
926 1 67 ASN HB3 1 75 GLU H 4.830 . 4.830 3.597 2.841 4.840 0.010 18 0 "[ . 1 . 2]" 1
927 1 67 ASN HB3 1 77 VAL H 6.600 . 6.600 5.242 4.534 6.618 0.018 2 0 "[ . 1 . 2]" 1
928 1 67 ASN HB3 1 77 VAL MG1 7.840 . 7.840 5.263 4.726 6.060 . 0 0 "[ . 1 . 2]" 1
929 1 67 ASN HB3 1 77 VAL MG2 5.750 . 5.750 2.919 2.272 4.053 . 0 0 "[ . 1 . 2]" 1
930 1 67 ASN O 1 75 GLU H 2.200 . 2.200 2.002 1.868 2.217 0.017 6 0 "[ . 1 . 2]" 1
931 1 67 ASN O 1 75 GLU N 3.300 2.700 3.300 2.940 2.772 3.163 . 0 0 "[ . 1 . 2]" 1
932 1 68 TRP H 1 69 LEU H 6.600 . 6.600 4.362 4.199 4.545 . 0 0 "[ . 1 . 2]" 1
933 1 68 TRP H 1 74 PHE HA 6.600 . 6.600 5.018 4.640 5.349 . 0 0 "[ . 1 . 2]" 1
934 1 68 TRP H 1 74 PHE HB3 6.600 . 6.600 4.935 4.605 5.490 . 0 0 "[ . 1 . 2]" 1
935 1 68 TRP H 1 75 GLU QG 6.600 . 6.600 5.710 5.171 6.485 . 0 0 "[ . 1 . 2]" 1
936 1 68 TRP HA 1 68 TRP HE1 6.600 . 6.600 4.896 4.571 5.117 . 0 0 "[ . 1 . 2]" 1
937 1 68 TRP HA 1 69 LEU H 6.600 . 6.600 2.184 2.146 2.224 . 0 0 "[ . 1 . 2]" 1
938 1 68 TRP HA 1 69 LEU HG 6.600 . 6.600 5.682 3.902 6.712 0.112 2 0 "[ . 1 . 2]" 1
939 1 68 TRP HA 1 70 SER H 6.600 . 6.600 4.375 4.013 4.605 . 0 0 "[ . 1 . 2]" 1
940 1 68 TRP HA 1 73 TYR HA 6.600 . 6.600 6.024 5.749 6.399 . 0 0 "[ . 1 . 2]" 1
941 1 68 TRP HA 1 74 PHE HA 6.600 . 6.600 2.713 2.363 3.209 . 0 0 "[ . 1 . 2]" 1
942 1 68 TRP HA 1 75 GLU H 6.600 . 6.600 3.902 3.533 4.197 . 0 0 "[ . 1 . 2]" 1
943 1 68 TRP QB 1 69 LEU H 6.600 . 6.600 3.936 3.793 4.028 . 0 0 "[ . 1 . 2]" 1
944 1 68 TRP QB 1 70 SER H 6.600 . 6.600 5.149 4.871 5.376 . 0 0 "[ . 1 . 2]" 1
945 1 68 TRP HE1 1 69 LEU H 6.600 . 6.600 5.268 4.450 5.839 . 0 0 "[ . 1 . 2]" 1
946 1 68 TRP HE1 1 70 SER H 6.600 . 6.600 4.426 3.503 5.098 . 0 0 "[ . 1 . 2]" 1
947 1 68 TRP HE1 1 71 GLY H 6.600 . 6.600 4.398 2.634 5.485 . 0 0 "[ . 1 . 2]" 1
948 1 68 TRP HE1 1 71 GLY QA 6.600 . 6.600 4.010 2.833 4.872 . 0 0 "[ . 1 . 2]" 1
949 1 68 TRP HE1 1 72 THR H 6.600 . 6.600 4.256 3.249 5.048 . 0 0 "[ . 1 . 2]" 1
950 1 68 TRP HE1 1 72 THR HA 5.000 . 5.000 2.981 2.213 3.792 . 0 0 "[ . 1 . 2]" 1
951 1 68 TRP HE1 1 72 THR MG 6.600 . 6.600 4.317 4.062 4.902 . 0 0 "[ . 1 . 2]" 1
952 1 68 TRP HE1 1 73 TYR H 6.600 . 6.600 3.673 2.476 4.963 . 0 0 "[ . 1 . 2]" 1
953 1 68 TRP HE1 1 73 TYR QB 6.600 . 6.600 5.482 4.443 6.333 . 0 0 "[ . 1 . 2]" 1
954 1 69 LEU H 1 69 LEU HG 5.000 . 5.000 3.821 2.351 4.579 . 0 0 "[ . 1 . 2]" 1
955 1 69 LEU H 1 70 SER H 4.560 . 4.560 2.790 2.645 2.941 . 0 0 "[ . 1 . 2]" 1
956 1 69 LEU H 1 72 THR H 6.730 . 6.730 6.762 6.525 6.908 0.178 18 0 "[ . 1 . 2]" 1
957 1 69 LEU H 1 73 TYR H 6.600 . 6.600 4.750 4.419 5.299 . 0 0 "[ . 1 . 2]" 1
958 1 69 LEU H 1 73 TYR QB 4.310 . 4.310 3.975 3.481 4.313 0.003 15 0 "[ . 1 . 2]" 1
959 1 69 LEU H 1 73 TYR O 2.200 . 2.200 2.107 1.889 2.264 0.064 9 0 "[ . 1 . 2]" 1
960 1 69 LEU H 1 74 PHE H 5.190 . 5.190 4.359 4.240 4.499 . 0 0 "[ . 1 . 2]" 1
961 1 69 LEU H 1 74 PHE HA 4.020 . 4.020 2.059 1.906 2.336 . 0 0 "[ . 1 . 2]" 1
962 1 69 LEU H 1 74 PHE HB2 6.600 . 6.600 3.789 3.255 5.277 . 0 0 "[ . 1 . 2]" 1
963 1 69 LEU H 1 75 GLU H 4.770 . 4.770 3.844 3.551 4.114 . 0 0 "[ . 1 . 2]" 1
964 1 69 LEU H 1 75 GLU HA 6.600 . 6.600 6.354 6.076 6.601 0.001 8 0 "[ . 1 . 2]" 1
965 1 69 LEU H 1 75 GLU HB3 6.600 . 6.600 5.845 5.318 6.207 . 0 0 "[ . 1 . 2]" 1
966 1 69 LEU H 1 75 GLU QG 6.600 . 6.600 4.429 3.764 5.484 . 0 0 "[ . 1 . 2]" 1
967 1 69 LEU HA 1 70 SER H 4.870 . 4.870 3.587 3.574 3.603 . 0 0 "[ . 1 . 2]" 1
968 1 69 LEU HA 1 75 GLU H 5.500 . 5.500 5.489 5.146 5.667 0.167 12 0 "[ . 1 . 2]" 1
969 1 69 LEU QB 1 70 SER H 4.000 . 4.000 2.207 2.073 2.483 . 0 0 "[ . 1 . 2]" 1
970 1 69 LEU QB 1 73 TYR H 6.600 . 6.600 4.191 4.013 4.428 . 0 0 "[ . 1 . 2]" 1
971 1 69 LEU QB 1 74 PHE HA 6.600 . 6.600 2.933 2.450 3.473 . 0 0 "[ . 1 . 2]" 1
972 1 69 LEU QB 1 75 GLU H 6.600 . 6.600 4.229 3.587 5.029 . 0 0 "[ . 1 . 2]" 1
973 1 69 LEU HG 1 73 TYR QB 6.600 . 6.600 4.405 3.586 5.491 . 0 0 "[ . 1 . 2]" 1
974 1 69 LEU HG 1 74 PHE HA 6.600 . 6.600 4.600 2.513 6.121 . 0 0 "[ . 1 . 2]" 1
975 1 69 LEU HG 1 75 GLU H 6.600 . 6.600 5.498 3.129 6.831 0.231 15 0 "[ . 1 . 2]" 1
976 1 69 LEU N 1 73 TYR O 3.300 2.700 3.300 2.843 2.768 2.952 . 0 0 "[ . 1 . 2]" 1
977 1 70 SER H 1 71 GLY QA 5.570 . 5.570 4.876 4.843 4.911 . 0 0 "[ . 1 . 2]" 1
978 1 70 SER H 1 72 THR H 4.620 . 4.620 4.613 4.508 4.696 0.076 8 0 "[ . 1 . 2]" 1
979 1 70 SER H 1 73 TYR H 4.040 . 4.040 3.073 2.924 3.402 . 0 0 "[ . 1 . 2]" 1
980 1 70 SER H 1 73 TYR HA 4.990 . 4.990 4.815 4.656 5.005 0.015 12 0 "[ . 1 . 2]" 1
981 1 70 SER H 1 73 TYR QB 3.800 . 3.800 2.728 2.303 3.099 . 0 0 "[ . 1 . 2]" 1
982 1 70 SER H 1 74 PHE H 5.310 . 5.310 5.240 5.109 5.381 0.071 12 0 "[ . 1 . 2]" 1
983 1 70 SER H 1 74 PHE HA 4.540 . 4.540 4.299 4.084 4.581 0.041 17 0 "[ . 1 . 2]" 1
984 1 70 SER H 1 75 GLU QG 7.700 . 7.700 6.517 5.738 7.515 . 0 0 "[ . 1 . 2]" 1
985 1 70 SER HA 1 71 GLY H 4.130 . 4.130 2.251 2.195 2.322 . 0 0 "[ . 1 . 2]" 1
986 1 70 SER HA 1 73 TYR H 5.000 . 5.000 4.740 4.618 5.008 0.008 10 0 "[ . 1 . 2]" 1
987 1 70 SER HA 1 73 TYR QB 6.290 . 6.290 4.984 4.614 5.320 . 0 0 "[ . 1 . 2]" 1
988 1 70 SER QB 1 71 GLY H 4.160 . 4.160 3.029 2.499 3.532 . 0 0 "[ . 1 . 2]" 1
989 1 70 SER QB 1 72 THR H 6.000 . 6.000 4.773 4.381 5.044 . 0 0 "[ . 1 . 2]" 1
990 1 71 GLY H 1 72 THR H 4.900 . 4.900 4.169 4.147 4.193 . 0 0 "[ . 1 . 2]" 1
991 1 71 GLY H 1 73 TYR H 5.000 . 5.000 4.698 4.610 4.835 . 0 0 "[ . 1 . 2]" 1
992 1 71 GLY H 1 73 TYR QB 7.080 . 7.080 5.645 5.423 5.847 . 0 0 "[ . 1 . 2]" 1
993 1 71 GLY QA 1 72 THR H 3.770 . 3.770 2.271 2.246 2.288 . 0 0 "[ . 1 . 2]" 1
994 1 71 GLY QA 1 72 THR MG 5.830 . 5.830 3.168 3.094 3.321 . 0 0 "[ . 1 . 2]" 1
995 1 72 THR H 1 73 TYR QB 5.220 . 5.220 3.963 3.862 4.073 . 0 0 "[ . 1 . 2]" 1
996 1 72 THR HA 1 73 TYR H 5.450 . 5.450 3.136 2.943 3.388 . 0 0 "[ . 1 . 2]" 1
997 1 72 THR MG 1 73 TYR H 5.420 . 5.420 4.299 4.156 4.367 . 0 0 "[ . 1 . 2]" 1
998 1 72 THR MG 1 73 TYR QB 7.990 . 7.990 5.794 5.719 5.883 . 0 0 "[ . 1 . 2]" 1
999 1 73 TYR HA 1 74 PHE H 4.130 . 4.130 2.213 2.185 2.253 . 0 0 "[ . 1 . 2]" 1
1000 1 73 TYR QB 1 74 PHE H 4.600 . 4.600 2.973 2.852 3.144 . 0 0 "[ . 1 . 2]" 1
1001 1 74 PHE H 1 75 GLU H 5.360 . 5.360 4.387 4.352 4.420 . 0 0 "[ . 1 . 2]" 1
1002 1 74 PHE H 1 75 GLU HA 5.070 . 5.070 4.794 4.738 4.866 . 0 0 "[ . 1 . 2]" 1
1003 1 74 PHE HA 1 75 GLU H 4.390 . 4.390 2.340 2.287 2.384 . 0 0 "[ . 1 . 2]" 1
1004 1 74 PHE HB2 1 75 GLU H 4.600 . 4.600 2.669 2.505 3.771 . 0 0 "[ . 1 . 2]" 1
1005 1 74 PHE HB2 1 75 GLU QG 6.450 . 6.450 4.698 4.468 5.553 . 0 0 "[ . 1 . 2]" 1
1006 1 75 GLU H 1 75 GLU QG . . 4.480 2.307 2.117 2.827 . 0 0 "[ . 1 . 2]" 1
1007 1 75 GLU HA 1 76 VAL H 4.560 . 4.560 2.312 2.203 2.393 . 0 0 "[ . 1 . 2]" 1
1008 1 75 GLU HA 1 76 VAL HA 5.320 . 5.320 4.354 4.312 4.393 . 0 0 "[ . 1 . 2]" 1
1009 1 75 GLU HB3 1 76 VAL H 4.400 . 4.400 3.766 3.549 3.906 . 0 0 "[ . 1 . 2]" 1
1010 1 75 GLU HB3 1 77 VAL MG2 6.600 . 6.600 5.038 4.808 5.241 . 0 0 "[ . 1 . 2]" 1
1011 1 75 GLU QG 1 77 VAL H 6.630 . 6.630 4.816 4.539 5.899 . 0 0 "[ . 1 . 2]" 1
1012 1 76 VAL H 1 76 VAL HB . . 4.400 2.498 2.436 2.541 . 0 0 "[ . 1 . 2]" 1
1013 1 76 VAL H 1 76 VAL MG1 4.500 . 4.500 3.801 3.774 3.821 . 0 0 "[ . 1 . 2]" 1
1014 1 76 VAL H 1 76 VAL MG2 4.580 . 4.580 2.441 2.253 2.576 . 0 0 "[ . 1 . 2]" 1
1015 1 76 VAL H 1 97 ILE MD 7.700 . 7.700 6.095 5.177 7.347 . 0 0 "[ . 1 . 2]" 1
1016 1 76 VAL H 1 111 LEU MD1 7.700 . 7.700 4.633 4.024 5.843 . 0 0 "[ . 1 . 2]" 1
1017 1 76 VAL HA 1 77 VAL H 4.340 . 4.340 2.188 2.146 2.220 . 0 0 "[ . 1 . 2]" 1
1018 1 76 VAL HB 1 77 VAL H 5.170 . 5.170 4.182 4.095 4.214 . 0 0 "[ . 1 . 2]" 1
1019 1 76 VAL HB 1 113 VAL QG 7.990 . 7.990 4.531 4.148 4.923 . 0 0 "[ . 1 . 2]" 1
1020 1 76 VAL MG1 1 77 VAL H 4.420 . 4.420 2.622 2.448 2.705 . 0 0 "[ . 1 . 2]" 1
1021 1 76 VAL MG1 1 77 VAL HB 6.510 . 6.510 4.664 4.512 4.747 . 0 0 "[ . 1 . 2]" 1
1022 1 76 VAL MG1 1 78 THR HA 6.000 . 6.000 4.234 3.996 4.327 . 0 0 "[ . 1 . 2]" 1
1023 1 76 VAL MG1 1 97 ILE MD 6.370 . 6.370 4.088 3.377 5.003 . 0 0 "[ . 1 . 2]" 1
1024 1 76 VAL MG2 1 77 VAL H 4.960 . 4.960 4.000 3.931 4.056 . 0 0 "[ . 1 . 2]" 1
1025 1 76 VAL MG2 1 77 VAL HA 6.620 . 6.620 5.609 5.585 5.640 . 0 0 "[ . 1 . 2]" 1
1026 1 76 VAL MG2 1 97 ILE MD 5.000 . 5.000 2.936 2.236 3.742 . 0 0 "[ . 1 . 2]" 1
1027 1 76 VAL MG2 1 111 LEU MD2 6.830 . 6.830 3.214 1.891 4.267 . 0 0 "[ . 1 . 2]" 1
1028 1 77 VAL HA 1 78 THR H 4.430 . 4.430 2.181 2.135 2.218 . 0 0 "[ . 1 . 2]" 1
1029 1 77 VAL HB 1 78 THR H 4.480 . 4.480 4.104 4.059 4.137 . 0 0 "[ . 1 . 2]" 1
1030 1 77 VAL MG1 1 78 THR H 4.360 . 4.360 2.484 2.406 2.545 . 0 0 "[ . 1 . 2]" 1
1031 1 77 VAL MG1 1 78 THR MG 7.020 . 7.020 4.291 3.099 4.765 . 0 0 "[ . 1 . 2]" 1
1032 1 77 VAL MG2 1 78 THR H 5.340 . 5.340 3.948 3.894 3.988 . 0 0 "[ . 1 . 2]" 1
1033 1 78 THR H 1 78 THR MG 4.450 . 4.450 2.983 1.895 3.822 . 0 0 "[ . 1 . 2]" 1
1034 1 78 THR HA 1 79 THR H 5.000 . 5.000 2.304 2.135 2.465 . 0 0 "[ . 1 . 2]" 1
1035 1 78 THR HB 1 79 THR H 6.600 . 6.600 3.858 2.339 4.445 . 0 0 "[ . 1 . 2]" 1
1036 1 79 THR H 1 80 GLY H 4.800 . 4.800 3.742 2.498 4.431 . 0 0 "[ . 1 . 2]" 1
1037 1 79 THR H 1 80 GLY HA3 6.600 . 6.600 4.855 4.083 5.154 . 0 0 "[ . 1 . 2]" 1
1038 1 79 THR HA 1 80 GLY H 5.120 . 5.120 2.266 2.127 2.558 . 0 0 "[ . 1 . 2]" 1
1039 1 79 THR HA 1 80 GLY HA3 5.230 . 5.230 4.447 4.348 4.731 . 0 0 "[ . 1 . 2]" 1
1040 1 79 THR HB 1 80 GLY H 5.120 . 5.120 3.955 2.351 4.682 . 0 0 "[ . 1 . 2]" 1
1041 1 79 THR HB 1 80 GLY HA3 6.600 . 6.600 5.608 4.741 6.614 0.014 9 0 "[ . 1 . 2]" 1
1042 1 80 GLY H 1 81 MET H 5.020 . 5.020 3.895 2.138 4.498 . 0 0 "[ . 1 . 2]" 1
1043 1 80 GLY H 1 81 MET HA 5.970 . 5.970 5.054 4.537 5.557 . 0 0 "[ . 1 . 2]" 1
1044 1 80 GLY HA3 1 81 MET H 5.270 . 5.270 2.411 2.145 2.719 . 0 0 "[ . 1 . 2]" 1
1045 1 81 MET H 1 81 MET HG3 4.640 . 4.640 3.236 2.239 4.609 . 0 0 "[ . 1 . 2]" 1
1046 1 81 MET H 1 82 GLU H 5.220 . 5.220 2.665 2.282 2.853 . 0 0 "[ . 1 . 2]" 1
1047 1 81 MET QB 1 82 GLU H 5.380 . 5.380 2.783 2.504 3.788 . 0 0 "[ . 1 . 2]" 1
1048 1 82 GLU HA 1 83 GLN H 4.490 . 4.490 2.244 2.113 2.346 . 0 0 "[ . 1 . 2]" 1
1049 1 82 GLU QB 1 83 GLN H 5.440 . 5.440 2.971 2.432 3.741 . 0 0 "[ . 1 . 2]" 1
1050 1 82 GLU QG 1 83 GLN H 5.000 . 5.000 3.378 2.157 4.390 . 0 0 "[ . 1 . 2]" 1
1051 1 83 GLN H 1 83 GLN QG . . 5.040 2.674 1.878 4.010 . 0 0 "[ . 1 . 2]" 1
1052 1 83 GLN HA 1 84 LEU H 4.390 . 4.390 2.314 2.190 2.393 . 0 0 "[ . 1 . 2]" 1
1053 1 83 GLN HB2 1 84 LEU H 4.680 . 4.680 3.501 2.573 4.279 . 0 0 "[ . 1 . 2]" 1
1054 1 83 GLN QG 1 84 LEU H 5.440 . 5.440 3.740 2.528 4.475 . 0 0 "[ . 1 . 2]" 1
1055 1 84 LEU H 1 84 LEU HG 5.090 . 5.090 3.644 1.951 4.870 . 0 0 "[ . 1 . 2]" 1
1056 1 84 LEU H 1 115 VAL MG1 7.700 . 7.700 6.386 5.403 7.208 . 0 0 "[ . 1 . 2]" 1
1057 1 84 LEU HA 1 86 PHE HA 7.260 . 7.260 6.722 6.341 7.216 . 0 0 "[ . 1 . 2]" 1
1058 1 85 ASP HA 1 86 PHE H 5.170 . 5.170 2.156 2.080 2.193 . 0 0 "[ . 1 . 2]" 1
1059 1 85 ASP QB 1 86 PHE H 6.010 . 6.010 3.414 2.835 3.977 . 0 0 "[ . 1 . 2]" 1
1060 1 85 ASP QB 1 87 GLU HA 6.950 . 6.950 5.591 5.029 6.411 . 0 0 "[ . 1 . 2]" 1
1061 1 86 PHE H 1 87 GLU H 5.780 . 5.780 2.684 2.378 2.845 . 0 0 "[ . 1 . 2]" 1
1062 1 86 PHE H 1 115 VAL MG2 6.600 . 6.600 5.803 5.025 6.587 . 0 0 "[ . 1 . 2]" 1
1063 1 86 PHE HA 1 87 GLU H 4.990 . 4.990 3.535 3.405 3.583 . 0 0 "[ . 1 . 2]" 1
1064 1 86 PHE HA 1 87 GLU HA 5.000 . 5.000 4.802 4.605 4.886 . 0 0 "[ . 1 . 2]" 1
1065 1 86 PHE HA 1 91 ASN HA 5.500 . 5.500 5.086 4.060 5.737 0.237 12 0 "[ . 1 . 2]" 1
1066 1 86 PHE QB 1 87 GLU H 4.700 . 4.700 2.761 2.275 3.675 . 0 0 "[ . 1 . 2]" 1
1067 1 86 PHE QB 1 88 THR H 5.830 . 5.830 4.842 4.515 5.667 . 0 0 "[ . 1 . 2]" 1
1068 1 86 PHE QB 1 115 VAL MG2 6.600 . 6.600 4.577 3.640 5.191 . 0 0 "[ . 1 . 2]" 1
1069 1 86 PHE QB 1 117 ASP HA 5.000 . 5.000 3.131 2.110 4.161 . 0 0 "[ . 1 . 2]" 1
1070 1 86 PHE QB 1 117 ASP QB 5.000 . 5.000 3.907 2.558 5.075 0.075 6 0 "[ . 1 . 2]" 1
1071 1 86 PHE QB 1 118 VAL H 5.000 . 5.000 4.150 2.951 5.007 0.007 4 0 "[ . 1 . 2]" 1
1072 1 87 GLU H 1 88 THR H 5.090 . 5.090 2.738 2.487 2.876 . 0 0 "[ . 1 . 2]" 1
1073 1 87 GLU H 1 89 GLY H 5.080 . 5.080 4.224 3.725 4.967 . 0 0 "[ . 1 . 2]" 1
1074 1 87 GLU HA 1 89 GLY H 4.490 . 4.490 4.276 3.988 4.633 0.143 7 0 "[ . 1 . 2]" 1
1075 1 88 THR H 1 89 GLY H 5.300 . 5.300 2.582 2.149 2.851 . 0 0 "[ . 1 . 2]" 1
1076 1 88 THR HA 1 89 GLY H 5.360 . 5.360 3.489 3.263 3.606 . 0 0 "[ . 1 . 2]" 1
1077 1 88 THR HB 1 89 GLY H 5.360 . 5.360 3.352 2.578 4.380 . 0 0 "[ . 1 . 2]" 1
1078 1 89 GLY H 1 90 PRO HA 5.500 . 5.500 5.354 4.957 5.721 0.221 16 0 "[ . 1 . 2]" 1
1079 1 89 GLY HA2 1 90 PRO HA 4.720 . 4.720 4.585 4.432 4.946 0.226 3 0 "[ . 1 . 2]" 1
1080 1 90 PRO HA 1 91 ASN H 5.330 . 5.330 2.266 2.146 2.400 . 0 0 "[ . 1 . 2]" 1
1081 1 91 ASN H 1 92 ILE H 4.600 . 4.600 2.513 1.898 2.782 . 0 0 "[ . 1 . 2]" 1
1082 1 91 ASN H 1 115 VAL HB 5.000 . 5.000 5.062 4.610 5.198 0.198 2 0 "[ . 1 . 2]" 1
1083 1 91 ASN HA 1 92 ILE H 5.270 . 5.270 3.525 3.398 3.580 . 0 0 "[ . 1 . 2]" 1
1084 1 91 ASN HA 1 92 ILE HA 5.590 . 5.590 4.547 4.481 4.584 . 0 0 "[ . 1 . 2]" 1
1085 1 91 ASN HA 1 114 GLN HA 5.390 . 5.390 4.750 4.619 4.973 . 0 0 "[ . 1 . 2]" 1
1086 1 91 ASN HA 1 114 GLN HG3 7.210 . 7.210 7.294 7.091 7.408 0.198 18 0 "[ . 1 . 2]" 1
1087 1 91 ASN QB 1 92 ILE H 4.950 . 4.950 2.915 2.523 3.845 . 0 0 "[ . 1 . 2]" 1
1088 1 91 ASN O 1 115 VAL H . . 2.300 2.022 1.879 2.234 . 0 0 "[ . 1 . 2]" 1
1089 1 91 ASN O 1 115 VAL N 3.300 2.700 3.300 2.801 2.707 2.894 . 0 0 "[ . 1 . 2]" 1
1090 1 92 ILE H 1 113 VAL H 7.000 . 7.000 6.761 6.628 6.916 . 0 0 "[ . 1 . 2]" 1
1091 1 92 ILE H 1 114 GLN HA 5.000 . 5.000 4.934 4.828 5.005 0.005 10 0 "[ . 1 . 2]" 1
1092 1 92 ILE H 1 114 GLN QB 7.000 . 7.000 6.374 6.279 6.479 . 0 0 "[ . 1 . 2]" 1
1093 1 92 ILE H 1 114 GLN HG2 5.500 . 5.500 5.622 5.540 5.701 0.201 19 0 "[ . 1 . 2]" 1
1094 1 92 ILE H 1 114 GLN HG3 6.750 . 6.750 6.660 6.490 6.802 0.052 3 0 "[ . 1 . 2]" 1
1095 1 92 ILE H 1 115 VAL HB 6.050 . 6.050 5.389 5.233 5.609 . 0 0 "[ . 1 . 2]" 1
1096 1 92 ILE HA 1 93 PHE H 4.340 . 4.340 2.221 2.133 2.282 . 0 0 "[ . 1 . 2]" 1
1097 1 92 ILE HA 1 112 THR HA 5.620 . 5.620 5.584 5.281 5.705 0.085 18 0 "[ . 1 . 2]" 1
1098 1 92 ILE HA 1 113 VAL H 5.000 . 5.000 4.067 3.896 4.204 . 0 0 "[ . 1 . 2]" 1
1099 1 92 ILE HA 1 113 VAL QG 6.600 . 6.600 4.478 4.421 4.520 . 0 0 "[ . 1 . 2]" 1
1100 1 92 ILE HA 1 114 GLN H 5.000 . 5.000 4.844 4.764 4.953 . 0 0 "[ . 1 . 2]" 1
1101 1 92 ILE HA 1 114 GLN HA 6.600 . 6.600 2.763 2.642 2.908 . 0 0 "[ . 1 . 2]" 1
1102 1 92 ILE HA 1 114 GLN QB 5.500 . 5.500 4.736 4.573 4.830 . 0 0 "[ . 1 . 2]" 1
1103 1 92 ILE HA 1 114 GLN HG2 4.900 . 4.900 3.902 3.549 4.153 . 0 0 "[ . 1 . 2]" 1
1104 1 92 ILE HA 1 114 GLN HG3 4.900 . 4.900 4.292 4.096 4.551 . 0 0 "[ . 1 . 2]" 1
1105 1 92 ILE HB 1 93 PHE H 5.340 . 5.340 2.904 2.674 3.155 . 0 0 "[ . 1 . 2]" 1
1106 1 92 ILE HB 1 94 ASP HA 6.000 . 6.000 5.943 5.724 6.136 0.136 3 0 "[ . 1 . 2]" 1
1107 1 92 ILE HB 1 112 THR HA 5.360 . 5.360 4.857 4.549 5.173 . 0 0 "[ . 1 . 2]" 1
1108 1 92 ILE HB 1 114 GLN HA 5.560 . 5.560 4.288 3.889 4.717 . 0 0 "[ . 1 . 2]" 1
1109 1 92 ILE MD 1 114 GLN QB 7.700 . 7.700 6.122 5.785 6.804 . 0 0 "[ . 1 . 2]" 1
1110 1 92 ILE QG 1 114 GLN HA 5.470 . 5.470 5.259 5.005 5.390 . 0 0 "[ . 1 . 2]" 1
1111 1 92 ILE QG 1 114 GLN QB 7.700 . 7.700 6.197 5.963 6.354 . 0 0 "[ . 1 . 2]" 1
1112 1 92 ILE MG 1 93 PHE H 5.380 . 5.380 3.867 3.747 3.991 . 0 0 "[ . 1 . 2]" 1
1113 1 92 ILE MG 1 114 GLN HA 5.390 . 5.390 2.501 2.060 2.913 . 0 0 "[ . 1 . 2]" 1
1114 1 92 ILE MG 1 114 GLN HG3 6.600 . 6.600 2.924 2.654 3.208 . 0 0 "[ . 1 . 2]" 1
1115 1 92 ILE MG 1 115 VAL H 5.180 . 5.180 3.520 3.262 3.817 . 0 0 "[ . 1 . 2]" 1
1116 1 93 PHE H 1 94 ASP HA 5.000 . 5.000 4.669 4.636 4.698 . 0 0 "[ . 1 . 2]" 1
1117 1 93 PHE H 1 112 THR HA 4.330 . 4.330 3.836 3.694 3.961 . 0 0 "[ . 1 . 2]" 1
1118 1 93 PHE H 1 112 THR HB 5.390 . 5.390 5.054 3.977 5.615 0.225 18 0 "[ . 1 . 2]" 1
1119 1 93 PHE H 1 113 VAL H 4.260 . 4.260 2.430 2.299 2.540 . 0 0 "[ . 1 . 2]" 1
1120 1 93 PHE H 1 113 VAL HB 5.180 . 5.180 3.377 3.291 3.454 . 0 0 "[ . 1 . 2]" 1
1121 1 93 PHE H 1 113 VAL QG 5.500 . 5.500 3.950 3.905 3.992 . 0 0 "[ . 1 . 2]" 1
1122 1 93 PHE H 1 113 VAL O . . 2.300 2.388 2.345 2.439 0.139 11 0 "[ . 1 . 2]" 1
1123 1 93 PHE H 1 114 GLN H 5.500 . 5.500 5.222 5.151 5.300 . 0 0 "[ . 1 . 2]" 1
1124 1 93 PHE H 1 114 GLN HG2 5.590 . 5.590 5.407 4.954 5.647 0.057 18 0 "[ . 1 . 2]" 1
1125 1 93 PHE H 1 114 GLN HG3 5.810 . 5.810 5.132 4.901 5.446 . 0 0 "[ . 1 . 2]" 1
1126 1 93 PHE HA 1 94 ASP H 4.280 . 4.280 2.140 2.100 2.216 . 0 0 "[ . 1 . 2]" 1
1127 1 93 PHE QB 1 94 ASP H 4.650 . 4.650 2.917 2.760 3.032 . 0 0 "[ . 1 . 2]" 1
1128 1 93 PHE QB 1 95 LEU QD 5.000 . 5.000 3.745 2.403 4.845 . 0 0 "[ . 1 . 2]" 1
1129 1 93 PHE QB 1 113 VAL H . . 5.020 4.556 3.910 4.662 . 0 0 "[ . 1 . 2]" 1
1130 1 93 PHE QB 1 113 VAL HB 5.000 . 5.000 4.432 3.429 4.548 . 0 0 "[ . 1 . 2]" 1
1131 1 93 PHE QB 1 113 VAL QG 7.110 . 7.110 4.499 3.731 4.645 . 0 0 "[ . 1 . 2]" 1
1132 1 93 PHE N 1 113 VAL O 3.300 2.700 3.300 3.211 3.161 3.266 . 0 0 "[ . 1 . 2]" 1
1133 1 94 ASP H 1 95 LEU H 4.930 . 4.930 4.515 4.444 4.548 . 0 0 "[ . 1 . 2]" 1
1134 1 94 ASP H 1 113 VAL H 5.250 . 5.250 4.896 4.831 4.982 . 0 0 "[ . 1 . 2]" 1
1135 1 94 ASP HA 1 95 LEU H 4.120 . 4.120 2.161 2.131 2.184 . 0 0 "[ . 1 . 2]" 1
1136 1 94 ASP HA 1 110 VAL MG1 6.600 . 6.600 4.088 3.127 5.471 . 0 0 "[ . 1 . 2]" 1
1137 1 94 ASP HA 1 110 VAL MG2 7.290 . 7.290 5.289 3.128 5.935 . 0 0 "[ . 1 . 2]" 1
1138 1 94 ASP HA 1 111 LEU H 5.200 . 5.200 4.094 3.810 4.291 . 0 0 "[ . 1 . 2]" 1
1139 1 94 ASP HA 1 111 LEU HA 5.000 . 5.000 5.021 4.774 5.082 0.082 14 0 "[ . 1 . 2]" 1
1140 1 94 ASP HA 1 112 THR H 4.720 . 4.720 4.293 4.110 4.353 . 0 0 "[ . 1 . 2]" 1
1141 1 94 ASP HA 1 112 THR HA 6.600 . 6.600 2.259 2.174 2.368 . 0 0 "[ . 1 . 2]" 1
1142 1 94 ASP HA 1 112 THR MG 5.260 . 5.260 3.333 2.864 3.702 . 0 0 "[ . 1 . 2]" 1
1143 1 94 ASP HA 1 113 VAL H 4.110 . 4.110 3.761 3.688 3.856 . 0 0 "[ . 1 . 2]" 1
1144 1 94 ASP HA 1 113 VAL QG 6.970 . 6.970 4.412 4.259 4.543 . 0 0 "[ . 1 . 2]" 1
1145 1 94 ASP HB2 1 95 LEU H 5.270 . 5.270 4.060 3.976 4.219 . 0 0 "[ . 1 . 2]" 1
1146 1 94 ASP HB2 1 110 VAL MG2 7.500 . 7.500 5.069 3.346 5.872 . 0 0 "[ . 1 . 2]" 1
1147 1 94 ASP HB2 1 111 LEU H 6.000 . 6.000 5.678 5.266 5.928 . 0 0 "[ . 1 . 2]" 1
1148 1 94 ASP HB2 1 112 THR H 6.910 . 6.910 6.940 6.714 7.037 0.127 14 0 "[ . 1 . 2]" 1
1149 1 94 ASP HB3 1 95 LEU H 5.240 . 5.240 3.108 2.979 3.342 . 0 0 "[ . 1 . 2]" 1
1150 1 94 ASP HB3 1 110 VAL HA 4.800 . 4.800 4.443 4.266 4.832 0.032 14 0 "[ . 1 . 2]" 1
1151 1 94 ASP HB3 1 110 VAL MG2 5.480 . 5.480 3.859 2.004 4.469 . 0 0 "[ . 1 . 2]" 1
1152 1 95 LEU H 1 95 LEU HG 4.620 . 4.620 3.812 2.629 4.658 0.038 8 0 "[ . 1 . 2]" 1
1153 1 95 LEU H 1 96 GLN QG 6.500 . 6.500 4.949 4.674 5.924 . 0 0 "[ . 1 . 2]" 1
1154 1 95 LEU H 1 97 ILE MD 6.530 . 6.530 4.994 3.799 6.555 0.025 20 0 "[ . 1 . 2]" 1
1155 1 95 LEU H 1 110 VAL HA 4.140 . 4.140 3.972 3.834 4.127 . 0 0 "[ . 1 . 2]" 1
1156 1 95 LEU H 1 111 LEU H 4.110 . 4.110 2.388 2.094 2.598 . 0 0 "[ . 1 . 2]" 1
1157 1 95 LEU H 1 111 LEU HA 5.010 . 5.010 4.204 4.043 4.270 . 0 0 "[ . 1 . 2]" 1
1158 1 95 LEU H 1 111 LEU HB2 4.630 . 4.630 4.503 3.959 4.751 0.121 17 0 "[ . 1 . 2]" 1
1159 1 95 LEU H 1 112 THR HA 3.430 . 3.430 3.522 3.421 3.629 0.199 20 0 "[ . 1 . 2]" 1
1160 1 95 LEU H 1 112 THR HB 6.000 . 6.000 6.005 5.844 6.060 0.060 19 0 "[ . 1 . 2]" 1
1161 1 95 LEU H 1 113 VAL H 5.000 . 5.000 4.863 4.614 5.042 0.042 17 0 "[ . 1 . 2]" 1
1162 1 95 LEU HA 1 96 GLN H 4.330 . 4.330 2.150 2.120 2.191 . 0 0 "[ . 1 . 2]" 1
1163 1 95 LEU HA 1 97 ILE MD 6.450 . 6.450 4.994 3.655 6.373 . 0 0 "[ . 1 . 2]" 1
1164 1 95 LEU HA 1 110 VAL HA 6.800 . 6.800 5.184 5.014 5.425 . 0 0 "[ . 1 . 2]" 1
1165 1 95 LEU HA 1 110 VAL MG1 6.800 . 6.800 5.126 4.530 6.863 0.063 5 0 "[ . 1 . 2]" 1
1166 1 95 LEU HA 1 111 LEU H 5.500 . 5.500 4.308 4.095 4.459 . 0 0 "[ . 1 . 2]" 1
1167 1 95 LEU QB 1 97 ILE H 5.060 . 5.060 4.470 4.162 5.106 0.046 7 0 "[ . 1 . 2]" 1
1168 1 95 LEU QB 1 111 LEU H 3.940 . 3.940 3.082 2.789 3.323 . 0 0 "[ . 1 . 2]" 1
1169 1 95 LEU QB 1 112 THR H 6.540 . 6.540 5.324 5.008 5.730 . 0 0 "[ . 1 . 2]" 1
1170 1 95 LEU QD 1 110 VAL HA 7.700 . 7.700 5.492 5.096 5.707 . 0 0 "[ . 1 . 2]" 1
1171 1 95 LEU HG 1 111 LEU H 5.740 . 5.740 5.252 4.434 5.746 0.006 9 0 "[ . 1 . 2]" 1
1172 1 96 GLN H 1 96 GLN HB2 4.320 . 4.320 2.416 2.257 2.522 . 0 0 "[ . 1 . 2]" 1
1173 1 96 GLN H 1 97 ILE H 5.290 . 5.290 4.271 4.165 4.460 . 0 0 "[ . 1 . 2]" 1
1174 1 96 GLN H 1 97 ILE MD 6.920 . 6.920 5.144 3.344 6.430 . 0 0 "[ . 1 . 2]" 1
1175 1 96 GLN H 1 110 VAL HA 5.000 . 5.000 4.643 4.420 4.842 . 0 0 "[ . 1 . 2]" 1
1176 1 96 GLN H 1 110 VAL MG1 6.600 . 6.600 4.855 4.414 6.690 0.090 5 0 "[ . 1 . 2]" 1
1177 1 96 GLN H 1 110 VAL MG2 6.620 . 6.620 5.440 4.259 6.693 0.073 14 0 "[ . 1 . 2]" 1
1178 1 96 GLN H 1 111 LEU H 4.710 . 4.710 4.656 4.419 4.764 0.054 10 0 "[ . 1 . 2]" 1
1179 1 96 GLN HA 1 97 ILE H 4.220 . 4.220 2.146 2.095 2.202 . 0 0 "[ . 1 . 2]" 1
1180 1 96 GLN HA 1 97 ILE HA 4.790 . 4.790 4.411 4.379 4.442 . 0 0 "[ . 1 . 2]" 1
1181 1 96 GLN HA 1 108 LEU MD1 5.790 . 5.790 4.285 3.328 4.637 . 0 0 "[ . 1 . 2]" 1
1182 1 96 GLN HA 1 108 LEU HG 4.230 . 4.230 4.139 3.656 4.319 0.089 2 0 "[ . 1 . 2]" 1
1183 1 96 GLN HA 1 109 GLN H 4.530 . 4.530 4.381 4.123 4.552 0.022 12 0 "[ . 1 . 2]" 1
1184 1 96 GLN HA 1 109 GLN HA 5.500 . 5.500 5.299 5.069 5.487 . 0 0 "[ . 1 . 2]" 1
1185 1 96 GLN HA 1 110 VAL H 4.940 . 4.940 4.951 4.741 5.061 0.121 12 0 "[ . 1 . 2]" 1
1186 1 96 GLN HA 1 110 VAL HA 4.510 . 4.510 2.648 2.410 2.870 . 0 0 "[ . 1 . 2]" 1
1187 1 96 GLN HA 1 110 VAL MG1 6.000 . 6.000 3.764 2.767 5.125 . 0 0 "[ . 1 . 2]" 1
1188 1 96 GLN HA 1 111 LEU H 4.420 . 4.420 3.795 3.379 4.030 . 0 0 "[ . 1 . 2]" 1
1189 1 96 GLN HB2 1 97 ILE H 4.760 . 4.760 4.424 4.310 4.532 . 0 0 "[ . 1 . 2]" 1
1190 1 96 GLN HB2 1 108 LEU MD1 6.000 . 6.000 4.066 3.343 4.481 . 0 0 "[ . 1 . 2]" 1
1191 1 96 GLN HB2 1 108 LEU HG 5.370 . 5.370 5.148 4.916 5.385 0.015 1 0 "[ . 1 . 2]" 1
1192 1 96 GLN HB2 1 109 GLN H 6.600 . 6.600 6.518 6.226 6.666 0.066 16 0 "[ . 1 . 2]" 1
1193 1 96 GLN HB2 1 110 VAL MG1 7.700 . 7.700 5.558 4.599 7.312 . 0 0 "[ . 1 . 2]" 1
1194 1 96 GLN HB3 1 108 LEU MD1 4.880 . 4.880 2.710 2.069 3.039 . 0 0 "[ . 1 . 2]" 1
1195 1 96 GLN HB3 1 110 VAL MG1 7.700 . 7.700 5.251 3.960 6.672 . 0 0 "[ . 1 . 2]" 1
1196 1 96 GLN QG 1 97 ILE H 5.520 . 5.520 4.264 3.945 4.774 . 0 0 "[ . 1 . 2]" 1
1197 1 96 GLN QG 1 108 LEU QB 7.640 . 7.640 5.862 4.980 6.734 . 0 0 "[ . 1 . 2]" 1
1198 1 96 GLN QG 1 110 VAL H 6.470 . 6.470 5.642 5.047 6.563 0.093 10 0 "[ . 1 . 2]" 1
1199 1 96 GLN QG 1 110 VAL HA 4.300 . 4.300 3.699 3.192 4.408 0.108 11 0 "[ . 1 . 2]" 1
1200 1 96 GLN QG 1 111 LEU H 5.690 . 5.690 4.828 4.396 5.220 . 0 0 "[ . 1 . 2]" 1
1201 1 97 ILE H 1 97 ILE MD . . 4.600 3.663 2.258 4.367 . 0 0 "[ . 1 . 2]" 1
1202 1 97 ILE H 1 97 ILE MG . . 4.600 3.710 2.370 3.880 . 0 0 "[ . 1 . 2]" 1
1203 1 97 ILE H 1 108 LEU HA 4.740 . 4.740 4.718 4.518 4.863 0.123 3 0 "[ . 1 . 2]" 1
1204 1 97 ILE H 1 108 LEU MD1 6.600 . 6.600 4.437 3.263 5.062 . 0 0 "[ . 1 . 2]" 1
1205 1 97 ILE H 1 109 GLN HA 5.000 . 5.000 4.865 4.698 5.027 0.027 13 0 "[ . 1 . 2]" 1
1206 1 97 ILE H 1 110 VAL H 5.000 . 5.000 4.902 4.608 5.082 0.082 8 0 "[ . 1 . 2]" 1
1207 1 97 ILE H 1 110 VAL HA 4.040 . 4.040 3.367 3.019 3.662 . 0 0 "[ . 1 . 2]" 1
1208 1 97 ILE H 1 110 VAL MG1 6.600 . 6.600 4.955 4.154 5.642 . 0 0 "[ . 1 . 2]" 1
1209 1 97 ILE H 1 111 LEU H 5.000 . 5.000 4.082 3.918 4.401 . 0 0 "[ . 1 . 2]" 1
1210 1 97 ILE H 1 111 LEU HA 6.430 . 6.430 6.341 6.095 6.468 0.038 5 0 "[ . 1 . 2]" 1
1211 1 97 ILE H 1 111 LEU HB2 5.000 . 5.000 4.829 4.612 5.130 0.130 17 0 "[ . 1 . 2]" 1
1212 1 97 ILE HA 1 98 TYR H 4.380 . 4.380 2.124 2.094 2.202 . 0 0 "[ . 1 . 2]" 1
1213 1 97 ILE HA 1 109 GLN H 5.730 . 5.730 4.803 4.675 4.972 . 0 0 "[ . 1 . 2]" 1
1214 1 97 ILE HB 1 98 TYR H 5.350 . 5.350 4.287 4.201 4.567 . 0 0 "[ . 1 . 2]" 1
1215 1 97 ILE HB 1 109 GLN H 5.330 . 5.330 3.868 3.284 4.919 . 0 0 "[ . 1 . 2]" 1
1216 1 97 ILE HB 1 111 LEU H 5.010 . 5.010 4.970 4.412 5.219 0.209 14 0 "[ . 1 . 2]" 1
1217 1 97 ILE HB 1 111 LEU HB2 6.800 . 6.800 4.093 3.516 4.521 . 0 0 "[ . 1 . 2]" 1
1218 1 97 ILE HB 1 111 LEU HG 6.600 . 6.600 6.561 5.823 6.789 0.189 5 0 "[ . 1 . 2]" 1
1219 1 97 ILE MD 1 98 TYR H 6.380 . 6.380 4.894 3.797 5.293 . 0 0 "[ . 1 . 2]" 1
1220 1 97 ILE MD 1 109 GLN H 6.660 . 6.660 5.416 4.604 6.016 . 0 0 "[ . 1 . 2]" 1
1221 1 97 ILE MD 1 110 VAL HA 6.860 . 6.860 4.991 3.767 6.036 . 0 0 "[ . 1 . 2]" 1
1222 1 97 ILE MD 1 111 LEU H 5.700 . 5.700 4.098 2.910 5.762 0.062 20 0 "[ . 1 . 2]" 1
1223 1 97 ILE MD 1 111 LEU HB2 4.110 . 4.110 2.718 1.909 4.181 0.071 6 0 "[ . 1 . 2]" 1
1224 1 97 ILE MD 1 111 LEU HB3 6.600 . 6.600 2.801 2.045 4.382 . 0 0 "[ . 1 . 2]" 1
1225 1 97 ILE MD 1 111 LEU HG 5.630 . 5.630 4.434 2.958 5.789 0.159 6 0 "[ . 1 . 2]" 1
1226 1 97 ILE QG 1 98 TYR H 5.410 . 5.410 4.114 2.879 4.804 . 0 0 "[ . 1 . 2]" 1
1227 1 97 ILE QG 1 111 LEU HA 7.540 . 7.540 5.742 4.739 7.635 0.095 20 0 "[ . 1 . 2]" 1
1228 1 97 ILE MG 1 98 TYR H 4.600 . 4.600 2.861 2.677 3.751 . 0 0 "[ . 1 . 2]" 1
1229 1 97 ILE MG 1 109 GLN H 6.000 . 6.000 4.270 2.527 4.680 . 0 0 "[ . 1 . 2]" 1
1230 1 97 ILE MG 1 111 LEU HB2 6.600 . 6.600 4.750 3.300 5.244 . 0 0 "[ . 1 . 2]" 1
1231 1 97 ILE O 1 109 GLN H 2.200 . 2.200 1.970 1.841 2.141 . 0 0 "[ . 1 . 2]" 1
1232 1 97 ILE O 1 109 GLN N 3.300 2.700 3.300 2.916 2.762 3.104 . 0 0 "[ . 1 . 2]" 1
1233 1 98 TYR H 1 107 ASP H 7.000 . 7.000 6.922 6.739 7.081 0.081 2 0 "[ . 1 . 2]" 1
1234 1 98 TYR H 1 108 LEU HA 4.740 . 4.740 4.692 4.480 4.821 0.081 1 0 "[ . 1 . 2]" 1
1235 1 98 TYR H 1 108 LEU QB 6.850 . 6.850 5.721 5.252 6.031 . 0 0 "[ . 1 . 2]" 1
1236 1 98 TYR H 1 108 LEU MD1 6.570 . 6.570 4.361 2.986 5.329 . 0 0 "[ . 1 . 2]" 1
1237 1 98 TYR HA 1 99 VAL H 4.150 . 4.150 2.256 2.222 2.305 . 0 0 "[ . 1 . 2]" 1
1238 1 98 TYR HA 1 107 ASP H 4.440 . 4.440 4.257 4.128 4.389 . 0 0 "[ . 1 . 2]" 1
1239 1 98 TYR HA 1 108 LEU HA 5.250 . 5.250 2.314 2.093 2.536 . 0 0 "[ . 1 . 2]" 1
1240 1 98 TYR HA 1 108 LEU MD1 5.730 . 5.730 3.454 2.066 4.320 . 0 0 "[ . 1 . 2]" 1
1241 1 98 TYR HA 1 109 GLN H 5.110 . 5.110 3.644 3.342 3.964 . 0 0 "[ . 1 . 2]" 1
1242 1 98 TYR QB 1 99 VAL H 4.840 . 4.840 3.614 3.151 3.829 . 0 0 "[ . 1 . 2]" 1
1243 1 98 TYR QB 1 107 ASP H 5.650 . 5.650 5.098 4.109 5.439 . 0 0 "[ . 1 . 2]" 1
1244 1 98 TYR QB 1 108 LEU H 7.000 . 7.000 5.873 4.388 6.297 . 0 0 "[ . 1 . 2]" 1
1245 1 98 TYR QB 1 108 LEU MD1 6.000 . 6.000 2.844 1.818 3.948 . 0 0 "[ . 1 . 2]" 1
1246 1 98 TYR QB 1 109 GLN H 5.960 . 5.960 4.996 4.354 5.331 . 0 0 "[ . 1 . 2]" 1
1247 1 99 VAL H 1 99 VAL MG2 4.040 . 4.040 2.738 2.167 2.888 . 0 0 "[ . 1 . 2]" 1
1248 1 99 VAL H 1 106 THR HA 4.290 . 4.290 4.305 4.040 4.400 0.110 20 0 "[ . 1 . 2]" 1
1249 1 99 VAL H 1 106 THR HB 6.010 . 6.010 5.270 4.148 6.187 0.177 18 0 "[ . 1 . 2]" 1
1250 1 99 VAL H 1 107 ASP H 3.860 . 3.860 2.646 2.437 2.762 . 0 0 "[ . 1 . 2]" 1
1251 1 99 VAL H 1 107 ASP HA 4.560 . 4.560 4.632 4.560 4.708 0.148 2 0 "[ . 1 . 2]" 1
1252 1 99 VAL H 1 107 ASP HB2 4.870 . 4.870 4.898 3.674 5.139 0.269 9 0 "[ . 1 . 2]" 1
1253 1 99 VAL H 1 107 ASP HB3 5.500 . 5.500 3.920 3.539 5.130 . 0 0 "[ . 1 . 2]" 1
1254 1 99 VAL H 1 107 ASP O 2.200 . 2.200 1.878 1.809 1.964 . 0 0 "[ . 1 . 2]" 1
1255 1 99 VAL H 1 108 LEU H 4.850 . 4.850 4.874 4.808 4.965 0.115 20 0 "[ . 1 . 2]" 1
1256 1 99 VAL HA 1 107 ASP H 5.380 . 5.380 4.828 4.560 4.967 . 0 0 "[ . 1 . 2]" 1
1257 1 99 VAL HB 1 100 LYS H 5.400 . 5.400 4.167 2.606 4.301 . 0 0 "[ . 1 . 2]" 1
1258 1 99 VAL HB 1 106 THR H 7.090 . 7.090 6.785 6.226 7.167 0.077 10 0 "[ . 1 . 2]" 1
1259 1 99 VAL HB 1 107 ASP H 5.360 . 5.360 3.605 3.320 4.033 . 0 0 "[ . 1 . 2]" 1
1260 1 99 VAL HB 1 107 ASP HA 6.010 . 6.010 5.240 4.788 6.321 0.311 9 0 "[ . 1 . 2]" 1
1261 1 99 VAL MG1 1 100 LYS H 4.630 . 4.630 2.773 2.649 3.213 . 0 0 "[ . 1 . 2]" 1
1262 1 99 VAL MG1 1 101 ASP HA 6.060 . 6.060 4.527 4.010 6.198 0.138 9 0 "[ . 1 . 2]" 1
1263 1 99 VAL MG2 1 106 THR HA 7.000 . 7.000 5.639 3.147 5.882 . 0 0 "[ . 1 . 2]" 1
1264 1 99 VAL MG2 1 107 ASP H 6.600 . 6.600 4.498 1.999 4.753 . 0 0 "[ . 1 . 2]" 1
1265 1 99 VAL MG2 1 107 ASP HB2 6.950 . 6.950 4.985 2.940 5.582 . 0 0 "[ . 1 . 2]" 1
1266 1 99 VAL MG2 1 107 ASP HB3 5.910 . 5.910 3.901 2.019 5.539 . 0 0 "[ . 1 . 2]" 1
1267 1 99 VAL MG2 1 108 LEU HA 5.790 . 5.790 4.379 3.747 4.711 . 0 0 "[ . 1 . 2]" 1
1268 1 99 VAL N 1 107 ASP O 3.300 2.700 3.300 2.775 2.727 2.896 . 0 0 "[ . 1 . 2]" 1
1269 1 99 VAL O 1 107 ASP H 2.200 . 2.200 2.286 2.228 2.366 0.166 8 0 "[ . 1 . 2]" 1
1270 1 99 VAL O 1 107 ASP N 3.300 2.700 3.300 3.030 2.934 3.113 . 0 0 "[ . 1 . 2]" 1
1271 1 100 LYS H 1 100 LYS QE 7.210 . 7.210 5.358 4.515 6.315 . 0 0 "[ . 1 . 2]" 1
1272 1 100 LYS H 1 101 ASP HA 5.480 . 5.480 4.830 4.542 4.981 . 0 0 "[ . 1 . 2]" 1
1273 1 100 LYS H 1 106 THR HA 5.280 . 5.280 4.888 4.312 5.200 . 0 0 "[ . 1 . 2]" 1
1274 1 100 LYS HA 1 101 ASP H 4.130 . 4.130 2.116 2.088 2.160 . 0 0 "[ . 1 . 2]" 1
1275 1 100 LYS HA 1 104 GLY H 5.420 . 5.420 5.370 5.092 5.450 0.030 2 0 "[ . 1 . 2]" 1
1276 1 100 LYS HA 1 105 VAL H 4.470 . 4.470 4.549 4.335 4.651 0.181 13 0 "[ . 1 . 2]" 1
1277 1 100 LYS HA 1 105 VAL MG1 5.740 . 5.740 4.488 2.700 4.985 . 0 0 "[ . 1 . 2]" 1
1278 1 100 LYS HA 1 105 VAL MG2 6.600 . 6.600 5.570 4.789 5.959 . 0 0 "[ . 1 . 2]" 1
1279 1 100 LYS HA 1 106 THR H 4.820 . 4.820 4.793 4.555 4.912 0.092 16 0 "[ . 1 . 2]" 1
1280 1 100 LYS HA 1 106 THR HA 5.070 . 5.070 2.697 2.375 3.113 . 0 0 "[ . 1 . 2]" 1
1281 1 100 LYS HA 1 106 THR MG 6.280 . 6.280 3.707 2.232 5.319 . 0 0 "[ . 1 . 2]" 1
1282 1 100 LYS HA 1 107 ASP H 4.780 . 4.780 4.214 4.066 4.421 . 0 0 "[ . 1 . 2]" 1
1283 1 100 LYS HB2 1 101 ASP H 4.330 . 4.330 4.252 4.160 4.342 0.012 13 0 "[ . 1 . 2]" 1
1284 1 100 LYS HB2 1 104 GLY HA2 5.660 . 5.660 5.664 5.277 5.766 0.106 8 0 "[ . 1 . 2]" 1
1285 1 100 LYS HB2 1 106 THR HA 5.420 . 5.420 3.847 3.634 4.024 . 0 0 "[ . 1 . 2]" 1
1286 1 100 LYS HB2 1 106 THR MG 6.000 . 6.000 3.655 2.074 5.814 . 0 0 "[ . 1 . 2]" 1
1287 1 100 LYS HB3 1 101 ASP H 4.430 . 4.430 4.205 4.109 4.301 . 0 0 "[ . 1 . 2]" 1
1288 1 100 LYS HB3 1 105 VAL H 6.600 . 6.600 6.553 6.410 6.627 0.027 7 0 "[ . 1 . 2]" 1
1289 1 100 LYS HB3 1 106 THR HA 5.230 . 5.230 5.212 5.116 5.287 0.057 11 0 "[ . 1 . 2]" 1
1290 1 100 LYS HB3 1 106 THR MG 7.700 . 7.700 5.028 3.491 7.107 . 0 0 "[ . 1 . 2]" 1
1291 1 100 LYS QE 1 104 GLY HA2 5.800 . 5.800 3.794 2.371 4.924 . 0 0 "[ . 1 . 2]" 1
1292 1 100 LYS QE 1 104 GLY HA3 7.560 . 7.560 5.144 3.567 6.397 . 0 0 "[ . 1 . 2]" 1
1293 1 100 LYS QE 1 105 VAL H 6.600 . 6.600 5.791 4.751 6.667 0.067 12 0 "[ . 1 . 2]" 1
1294 1 100 LYS HG2 1 101 ASP H 4.210 . 4.210 3.120 2.850 3.438 . 0 0 "[ . 1 . 2]" 1
1295 1 100 LYS HG2 1 101 ASP HA 5.500 . 5.500 4.277 4.040 4.514 . 0 0 "[ . 1 . 2]" 1
1296 1 100 LYS HG2 1 101 ASP HB2 6.110 . 6.110 5.012 4.668 5.479 . 0 0 "[ . 1 . 2]" 1
1297 1 100 LYS HG2 1 104 GLY H 4.180 . 4.180 4.153 3.843 4.264 0.084 16 0 "[ . 1 . 2]" 1
1298 1 100 LYS HG2 1 104 GLY HA2 5.340 . 5.340 3.465 3.149 3.750 . 0 0 "[ . 1 . 2]" 1
1299 1 100 LYS HG2 1 106 THR HA 5.700 . 5.700 5.277 5.112 5.536 . 0 0 "[ . 1 . 2]" 1
1300 1 100 LYS HG3 1 101 ASP H 4.310 . 4.310 3.070 2.875 3.270 . 0 0 "[ . 1 . 2]" 1
1301 1 100 LYS HG3 1 103 VAL H 6.600 . 6.600 6.642 6.603 6.675 0.075 6 0 "[ . 1 . 2]" 1
1302 1 100 LYS HG3 1 104 GLY H 4.590 . 4.590 4.418 4.342 4.494 . 0 0 "[ . 1 . 2]" 1
1303 1 100 LYS HG3 1 105 VAL H 4.220 . 4.220 4.197 4.059 4.322 0.102 9 0 "[ . 1 . 2]" 1
1304 1 100 LYS HG3 1 105 VAL MG1 6.590 . 6.590 5.513 4.033 5.953 . 0 0 "[ . 1 . 2]" 1
1305 1 100 LYS HG3 1 106 THR H 5.500 . 5.500 5.180 4.925 5.462 . 0 0 "[ . 1 . 2]" 1
1306 1 100 LYS HG3 1 106 THR HA 5.230 . 5.230 3.879 3.631 4.175 . 0 0 "[ . 1 . 2]" 1
1307 1 100 LYS HG3 1 106 THR MG 6.000 . 6.000 3.277 1.972 5.200 . 0 0 "[ . 1 . 2]" 1
1308 1 101 ASP H 1 102 GLU H 5.170 . 5.170 4.564 4.511 4.618 . 0 0 "[ . 1 . 2]" 1
1309 1 101 ASP H 1 102 GLU HA 5.670 . 5.670 5.538 5.410 5.612 . 0 0 "[ . 1 . 2]" 1
1310 1 101 ASP H 1 103 VAL H 5.500 . 5.500 5.042 4.884 5.175 . 0 0 "[ . 1 . 2]" 1
1311 1 101 ASP H 1 104 GLY HA3 5.990 . 5.990 5.576 5.267 5.805 . 0 0 "[ . 1 . 2]" 1
1312 1 101 ASP H 1 105 VAL H 4.160 . 4.160 2.959 2.776 3.094 . 0 0 "[ . 1 . 2]" 1
1313 1 101 ASP H 1 105 VAL HB 4.160 . 4.160 3.136 2.172 3.754 . 0 0 "[ . 1 . 2]" 1
1314 1 101 ASP H 1 105 VAL MG1 5.340 . 5.340 4.021 1.906 4.502 . 0 0 "[ . 1 . 2]" 1
1315 1 101 ASP H 1 105 VAL MG2 5.500 . 5.500 4.332 3.463 4.762 . 0 0 "[ . 1 . 2]" 1
1316 1 101 ASP H 1 106 THR H 5.500 . 5.500 5.041 4.836 5.304 . 0 0 "[ . 1 . 2]" 1
1317 1 101 ASP H 1 106 THR HA 5.500 . 5.500 4.048 3.634 4.640 . 0 0 "[ . 1 . 2]" 1
1318 1 101 ASP HA 1 102 GLU H 4.570 . 4.570 2.428 2.351 2.512 . 0 0 "[ . 1 . 2]" 1
1319 1 101 ASP HA 1 102 GLU HA 5.430 . 5.430 4.326 4.301 4.348 . 0 0 "[ . 1 . 2]" 1
1320 1 101 ASP HA 1 103 VAL H 4.860 . 4.860 4.316 4.205 4.443 . 0 0 "[ . 1 . 2]" 1
1321 1 101 ASP HA 1 104 GLY H 5.250 . 5.250 4.539 4.445 4.649 . 0 0 "[ . 1 . 2]" 1
1322 1 101 ASP HA 1 105 VAL H 4.880 . 4.880 4.805 4.571 4.960 0.080 16 0 "[ . 1 . 2]" 1
1323 1 101 ASP HA 1 105 VAL HB 5.410 . 5.410 4.903 4.306 5.480 0.070 11 0 "[ . 1 . 2]" 1
1324 1 101 ASP HB2 1 102 GLU H 4.570 . 4.570 3.799 3.659 3.965 . 0 0 "[ . 1 . 2]" 1
1325 1 101 ASP HB2 1 103 VAL H 4.410 . 4.410 3.792 3.310 4.428 0.018 8 0 "[ . 1 . 2]" 1
1326 1 101 ASP HB2 1 104 GLY H 5.220 . 5.220 3.457 2.816 4.432 . 0 0 "[ . 1 . 2]" 1
1327 1 101 ASP HB2 1 105 VAL H 5.130 . 5.130 2.715 2.022 3.716 . 0 0 "[ . 1 . 2]" 1
1328 1 101 ASP HB2 1 105 VAL MG1 5.690 . 5.690 3.810 1.986 4.392 . 0 0 "[ . 1 . 2]" 1
1329 1 101 ASP HB2 1 106 THR H 6.770 . 6.770 5.908 5.575 6.664 . 0 0 "[ . 1 . 2]" 1
1330 1 101 ASP HB3 1 102 GLU H 4.320 . 4.320 2.726 2.323 3.475 . 0 0 "[ . 1 . 2]" 1
1331 1 101 ASP HB3 1 105 VAL H 3.670 . 3.670 3.252 1.935 3.752 0.082 2 0 "[ . 1 . 2]" 1
1332 1 101 ASP HB3 1 105 VAL MG1 5.850 . 5.850 4.748 3.418 5.351 . 0 0 "[ . 1 . 2]" 1
1333 1 101 ASP HB3 1 105 VAL MG2 5.000 . 5.000 3.687 2.260 5.141 0.141 11 0 "[ . 1 . 2]" 1
1334 1 102 GLU H 1 102 GLU HG2 5.410 . 5.410 3.933 2.305 4.663 . 0 0 "[ . 1 . 2]" 1
1335 1 102 GLU H 1 102 GLU QG 4.430 . 4.430 3.500 2.282 4.077 . 0 0 "[ . 1 . 2]" 1
1336 1 102 GLU H 1 103 VAL H 4.620 . 4.620 2.656 2.619 2.689 . 0 0 "[ . 1 . 2]" 1
1337 1 102 GLU H 1 103 VAL QG 5.830 . 5.830 3.799 3.442 4.002 . 0 0 "[ . 1 . 2]" 1
1338 1 102 GLU H 1 104 GLY H 4.550 . 4.550 4.075 4.015 4.132 . 0 0 "[ . 1 . 2]" 1
1339 1 102 GLU H 1 105 VAL H 5.330 . 5.330 5.170 5.019 5.281 . 0 0 "[ . 1 . 2]" 1
1340 1 102 GLU HA 1 103 VAL H 4.680 . 4.680 3.528 3.520 3.543 . 0 0 "[ . 1 . 2]" 1
1341 1 102 GLU HA 1 104 GLY H 4.120 . 4.120 4.001 3.750 4.145 0.025 20 0 "[ . 1 . 2]" 1
1342 1 102 GLU HB3 1 103 VAL H 5.040 . 5.040 3.050 2.693 3.692 . 0 0 "[ . 1 . 2]" 1
1343 1 102 GLU QG 1 103 VAL H 5.040 . 5.040 3.974 3.708 4.506 . 0 0 "[ . 1 . 2]" 1
1344 1 102 GLU QG 1 104 GLY H 6.460 . 6.460 5.304 4.816 5.786 . 0 0 "[ . 1 . 2]" 1
1345 1 103 VAL H 1 103 VAL HB . . 4.160 2.770 2.454 3.616 . 0 0 "[ . 1 . 2]" 1
1346 1 103 VAL H 1 103 VAL MG1 4.670 . 4.670 2.959 2.090 3.772 . 0 0 "[ . 1 . 2]" 1
1347 1 103 VAL H 1 103 VAL QG 3.680 . 3.680 2.056 1.877 2.161 . 0 0 "[ . 1 . 2]" 1
1348 1 103 VAL H 1 104 GLY H 4.060 . 4.060 2.656 2.612 2.694 . 0 0 "[ . 1 . 2]" 1
1349 1 103 VAL H 1 104 GLY HA3 5.210 . 5.210 5.301 5.265 5.325 0.115 2 0 "[ . 1 . 2]" 1
1350 1 103 VAL H 1 105 VAL H 5.000 . 5.000 3.995 3.902 4.042 . 0 0 "[ . 1 . 2]" 1
1351 1 103 VAL HA 1 104 GLY H 5.040 . 5.040 3.510 3.449 3.534 . 0 0 "[ . 1 . 2]" 1
1352 1 103 VAL HB 1 104 GLY H 4.570 . 4.570 3.522 2.914 4.185 . 0 0 "[ . 1 . 2]" 1
1353 1 103 VAL HB 1 105 VAL MG2 4.970 . 4.970 3.370 2.426 4.675 . 0 0 "[ . 1 . 2]" 1
1354 1 103 VAL QG 1 104 GLY H 5.070 . 5.070 2.874 2.207 3.413 . 0 0 "[ . 1 . 2]" 1
1355 1 104 GLY H 1 105 VAL H 3.970 . 3.970 2.066 1.941 2.229 . 0 0 "[ . 1 . 2]" 1
1356 1 104 GLY H 1 105 VAL HA 5.230 . 5.230 4.803 4.705 4.961 . 0 0 "[ . 1 . 2]" 1
1357 1 104 GLY H 1 105 VAL MG2 6.600 . 6.600 3.703 3.384 5.275 . 0 0 "[ . 1 . 2]" 1
1358 1 104 GLY HA2 1 105 VAL H 4.500 . 4.500 3.133 3.070 3.213 . 0 0 "[ . 1 . 2]" 1
1359 1 105 VAL H 1 105 VAL HB . . 4.040 2.489 2.203 2.606 . 0 0 "[ . 1 . 2]" 1
1360 1 105 VAL H 1 105 VAL MG1 4.780 . 4.780 3.746 2.830 3.826 . 0 0 "[ . 1 . 2]" 1
1361 1 105 VAL H 1 105 VAL MG2 . . 3.770 2.358 2.068 3.615 . 0 0 "[ . 1 . 2]" 1
1362 1 105 VAL H 1 106 THR H 5.000 . 5.000 4.580 4.483 4.702 . 0 0 "[ . 1 . 2]" 1
1363 1 105 VAL HA 1 106 THR H 3.730 . 3.730 2.254 2.173 2.406 . 0 0 "[ . 1 . 2]" 1
1364 1 105 VAL HB 1 106 THR MG 6.810 . 6.810 5.227 4.799 6.487 . 0 0 "[ . 1 . 2]" 1
1365 1 105 VAL MG1 1 106 THR H 4.250 . 4.250 2.533 1.993 3.033 . 0 0 "[ . 1 . 2]" 1
1366 1 105 VAL MG2 1 106 THR H 5.090 . 5.090 3.915 2.190 4.107 . 0 0 "[ . 1 . 2]" 1
1367 1 106 THR H 1 107 ASP H 5.140 . 5.140 4.446 4.235 4.536 . 0 0 "[ . 1 . 2]" 1
1368 1 106 THR H 1 107 ASP HB3 5.730 . 5.730 5.755 5.216 5.985 0.255 9 0 "[ . 1 . 2]" 1
1369 1 106 THR HA 1 107 ASP H 4.180 . 4.180 2.243 2.156 2.360 . 0 0 "[ . 1 . 2]" 1
1370 1 106 THR HA 1 107 ASP HB2 6.400 . 6.400 4.511 4.082 5.652 . 0 0 "[ . 1 . 2]" 1
1371 1 106 THR HB 1 107 ASP H 4.360 . 4.360 3.188 2.471 4.107 . 0 0 "[ . 1 . 2]" 1
1372 1 106 THR MG 1 107 ASP H 5.360 . 5.360 3.738 2.306 3.995 . 0 0 "[ . 1 . 2]" 1
1373 1 107 ASP H 1 109 GLN H 6.600 . 6.600 6.517 6.277 6.679 0.079 7 0 "[ . 1 . 2]" 1
1374 1 107 ASP HA 1 108 LEU H 3.780 . 3.780 2.182 2.139 2.395 . 0 0 "[ . 1 . 2]" 1
1375 1 107 ASP HB2 1 108 LEU H 5.020 . 5.020 4.079 2.535 4.403 . 0 0 "[ . 1 . 2]" 1
1376 1 107 ASP HB3 1 108 LEU H 4.720 . 4.720 4.050 3.247 4.260 . 0 0 "[ . 1 . 2]" 1
1377 1 107 ASP HB3 1 109 GLN QG 6.600 . 6.600 5.132 3.640 6.703 0.103 17 0 "[ . 1 . 2]" 1
1378 1 108 LEU H 1 108 LEU HG 5.210 . 5.210 4.582 4.471 4.652 . 0 0 "[ . 1 . 2]" 1
1379 1 108 LEU H 1 109 GLN H 4.960 . 4.960 4.394 4.224 4.521 . 0 0 "[ . 1 . 2]" 1
1380 1 108 LEU HA 1 109 GLN H 4.120 . 4.120 2.150 2.124 2.205 . 0 0 "[ . 1 . 2]" 1
1381 1 108 LEU HA 1 110 VAL H 6.400 . 6.400 6.369 6.308 6.414 0.014 14 0 "[ . 1 . 2]" 1
1382 1 108 LEU QB 1 109 GLN H 4.330 . 4.330 3.723 3.633 3.830 . 0 0 "[ . 1 . 2]" 1
1383 1 108 LEU MD2 1 109 GLN HA 6.670 . 6.670 3.474 2.671 5.046 . 0 0 "[ . 1 . 2]" 1
1384 1 108 LEU HG 1 109 GLN H 4.720 . 4.720 2.691 2.436 3.025 . 0 0 "[ . 1 . 2]" 1
1385 1 108 LEU HG 1 109 GLN HA 4.780 . 4.780 4.449 3.691 4.825 0.045 16 0 "[ . 1 . 2]" 1
1386 1 108 LEU HG 1 110 VAL MG2 6.600 . 6.600 5.439 4.176 6.723 0.123 11 0 "[ . 1 . 2]" 1
1387 1 109 GLN H 1 110 VAL H 5.020 . 5.020 4.446 4.403 4.488 . 0 0 "[ . 1 . 2]" 1
1388 1 109 GLN H 1 110 VAL HA 5.150 . 5.150 4.852 4.742 4.953 . 0 0 "[ . 1 . 2]" 1
1389 1 109 GLN HA 1 110 VAL H 4.040 . 4.040 2.377 2.290 2.510 . 0 0 "[ . 1 . 2]" 1
1390 1 109 GLN HA 1 110 VAL MG2 5.210 . 5.210 3.662 3.268 5.388 0.178 3 0 "[ . 1 . 2]" 1
1391 1 109 GLN QB 1 110 VAL MG2 7.000 . 7.000 4.301 3.743 5.449 . 0 0 "[ . 1 . 2]" 1
1392 1 110 VAL H 1 111 LEU H 5.020 . 5.020 4.394 4.245 4.592 . 0 0 "[ . 1 . 2]" 1
1393 1 110 VAL HA 1 111 LEU H 4.080 . 4.080 2.159 2.120 2.243 . 0 0 "[ . 1 . 2]" 1
1394 1 110 VAL HB 1 112 THR H 6.600 . 6.600 5.572 5.114 6.730 0.130 5 0 "[ . 1 . 2]" 1
1395 1 110 VAL MG1 1 111 LEU H 5.000 . 5.000 3.259 2.733 4.028 . 0 0 "[ . 1 . 2]" 1
1396 1 110 VAL MG1 1 111 LEU HA 6.790 . 6.790 4.395 3.800 5.594 . 0 0 "[ . 1 . 2]" 1
1397 1 110 VAL MG2 1 111 LEU H 5.350 . 5.350 3.900 2.701 4.154 . 0 0 "[ . 1 . 2]" 1
1398 1 111 LEU HA 1 111 LEU MD2 4.620 . 4.620 3.233 2.159 3.934 . 0 0 "[ . 1 . 2]" 1
1399 1 111 LEU HA 1 112 THR H 4.270 . 4.270 2.138 2.111 2.204 . 0 0 "[ . 1 . 2]" 1
1400 1 111 LEU HA 1 113 VAL H 5.860 . 5.860 5.955 5.879 6.090 0.230 17 0 "[ . 1 . 2]" 1
1401 1 111 LEU MD2 1 112 THR H 6.290 . 6.290 3.265 2.236 4.894 . 0 0 "[ . 1 . 2]" 1
1402 1 111 LEU MD2 1 113 VAL H 7.920 . 7.920 3.781 3.402 5.479 . 0 0 "[ . 1 . 2]" 1
1403 1 111 LEU MD2 1 113 VAL HA 6.600 . 6.600 3.476 3.051 4.931 . 0 0 "[ . 1 . 2]" 1
1404 1 111 LEU MD2 1 113 VAL HB 6.600 . 6.600 4.150 3.923 5.443 . 0 0 "[ . 1 . 2]" 1
1405 1 111 LEU MD2 1 113 VAL QG 5.780 . 5.780 1.910 1.748 2.965 0.052 19 0 "[ . 1 . 2]" 1
1406 1 111 LEU MD2 1 114 GLN H 7.940 . 7.940 5.207 4.717 6.627 . 0 0 "[ . 1 . 2]" 1
1407 1 111 LEU HG 1 113 VAL HA 6.750 . 6.750 5.379 4.344 6.731 . 0 0 "[ . 1 . 2]" 1
1408 1 112 THR H 1 113 VAL H 5.110 . 5.110 4.513 4.480 4.564 . 0 0 "[ . 1 . 2]" 1
1409 1 112 THR HA 1 113 VAL H 4.280 . 4.280 2.177 2.144 2.209 . 0 0 "[ . 1 . 2]" 1
1410 1 112 THR HA 1 114 GLN H 6.000 . 6.000 5.943 5.848 6.035 0.035 17 0 "[ . 1 . 2]" 1
1411 1 112 THR HB 1 113 VAL H 4.940 . 4.940 3.795 2.938 4.196 . 0 0 "[ . 1 . 2]" 1
1412 1 112 THR MG 1 113 VAL H 5.400 . 5.400 3.095 2.588 3.981 . 0 0 "[ . 1 . 2]" 1
1413 1 112 THR MG 1 113 VAL QG 8.800 . 8.800 4.337 4.059 4.837 . 0 0 "[ . 1 . 2]" 1
1414 1 113 VAL HA 1 114 GLN H 4.220 . 4.220 2.139 2.118 2.162 . 0 0 "[ . 1 . 2]" 1
1415 1 113 VAL HA 1 115 VAL H 6.050 . 6.050 6.130 6.092 6.150 0.100 8 0 "[ . 1 . 2]" 1
1416 1 113 VAL HB 1 114 GLN H 5.540 . 5.540 4.259 4.216 4.318 . 0 0 "[ . 1 . 2]" 1
1417 1 113 VAL QG 1 114 GLN H 4.980 . 4.980 2.792 2.706 2.872 . 0 0 "[ . 1 . 2]" 1
1418 1 113 VAL QG 1 114 GLN QB 7.700 . 7.700 4.218 4.089 4.312 . 0 0 "[ . 1 . 2]" 1
1419 1 114 GLN H 1 114 GLN HG3 5.590 . 5.590 2.777 2.673 2.889 . 0 0 "[ . 1 . 2]" 1
1420 1 114 GLN H 1 115 VAL H 5.030 . 5.030 4.514 4.487 4.543 . 0 0 "[ . 1 . 2]" 1
1421 1 114 GLN HA 1 115 VAL H 4.210 . 4.210 2.159 2.127 2.185 . 0 0 "[ . 1 . 2]" 1
1422 1 114 GLN QB 1 115 VAL H 5.550 . 5.550 2.885 2.844 2.958 . 0 0 "[ . 1 . 2]" 1
1423 1 114 GLN HG2 1 115 VAL H 5.240 . 5.240 3.932 3.813 4.045 . 0 0 "[ . 1 . 2]" 1
1424 1 114 GLN HG3 1 115 VAL H 5.480 . 5.480 4.739 4.661 4.817 . 0 0 "[ . 1 . 2]" 1
1425 1 115 VAL HA 1 116 THR H 4.240 . 4.240 2.156 2.132 2.183 . 0 0 "[ . 1 . 2]" 1
1426 1 115 VAL HA 1 116 THR HA 5.530 . 5.530 4.418 4.404 4.438 . 0 0 "[ . 1 . 2]" 1
1427 1 115 VAL MG2 1 116 THR HB 7.690 . 7.690 6.158 5.968 6.236 . 0 0 "[ . 1 . 2]" 1
1428 1 116 THR HA 1 117 ASP H 4.310 . 4.310 2.178 2.140 2.457 . 0 0 "[ . 1 . 2]" 1
1429 1 116 THR HA 1 118 VAL H 6.310 . 6.310 5.851 5.655 6.270 . 0 0 "[ . 1 . 2]" 1
1430 1 116 THR HB 1 117 ASP H 4.960 . 4.960 4.180 4.015 4.335 . 0 0 "[ . 1 . 2]" 1
1431 1 116 THR MG 1 117 ASP H 4.500 . 4.500 2.711 2.535 3.718 . 0 0 "[ . 1 . 2]" 1
1432 1 117 ASP H 1 118 VAL HA 5.630 . 5.630 5.473 5.250 5.631 0.001 12 0 "[ . 1 . 2]" 1
1433 1 117 ASP HA 1 118 VAL H 5.090 . 5.090 2.144 2.095 2.225 . 0 0 "[ . 1 . 2]" 1
1434 1 117 ASP HA 1 118 VAL HA 5.570 . 5.570 4.418 4.408 4.433 . 0 0 "[ . 1 . 2]" 1
1435 1 117 ASP QB 1 118 VAL H 5.220 . 5.220 3.718 2.969 3.934 . 0 0 "[ . 1 . 2]" 1
1436 1 118 VAL HA 1 119 ASN H 5.660 . 5.660 2.169 2.144 2.258 . 0 0 "[ . 1 . 2]" 1
1437 1 118 VAL QG 1 120 GLU H 7.350 . 7.350 4.578 4.180 4.917 . 0 0 "[ . 1 . 2]" 1
1438 1 118 VAL QG 1 120 GLU HA 7.080 . 7.080 4.247 3.888 4.592 . 0 0 "[ . 1 . 2]" 1
1439 1 119 ASN HA 1 120 GLU H 4.610 . 4.610 2.167 2.125 2.308 . 0 0 "[ . 1 . 2]" 1
1440 1 119 ASN QB 1 120 GLU H 5.560 . 5.560 3.282 2.574 3.895 . 0 0 "[ . 1 . 2]" 1
1441 1 120 GLU H 1 120 GLU QG 4.940 . 4.940 3.059 2.272 4.148 . 0 0 "[ . 1 . 2]" 1
1442 1 120 GLU H 1 121 PRO QD 5.410 . 5.410 4.418 3.548 4.528 . 0 0 "[ . 1 . 2]" 1
1443 1 120 GLU QB 1 122 PRO QD 7.610 . 7.610 5.659 5.280 5.975 . 0 0 "[ . 1 . 2]" 1
1444 1 121 PRO QD 1 122 PRO HA 6.810 . 6.810 5.957 5.838 6.143 . 0 0 "[ . 1 . 2]" 1
1445 1 122 PRO HA 1 123 GLY H 4.540 . 4.540 2.538 2.192 3.564 . 0 0 "[ . 1 . 2]" 1
1446 1 122 PRO HB2 1 123 GLY H 5.480 . 5.480 3.391 2.284 4.324 . 0 0 "[ . 1 . 2]" 1
1447 1 122 PRO HB3 1 123 GLY H 5.340 . 5.340 3.748 3.105 4.610 . 0 0 "[ . 1 . 2]" 1
1448 1 123 GLY H 1 124 GLY QA 5.920 . 5.920 4.840 3.890 5.404 . 0 0 "[ . 1 . 2]" 1
1449 1 123 GLY QA 1 124 GLY H 4.090 . 4.090 2.393 2.130 2.905 . 0 0 "[ . 1 . 2]" 1
1450 1 124 GLY QA 1 125 THR H 4.780 . 4.780 2.340 2.113 2.947 . 0 0 "[ . 1 . 2]" 1
1451 1 124 GLY QA 1 125 THR HA 5.230 . 5.230 4.065 3.959 4.485 . 0 0 "[ . 1 . 2]" 1
1452 1 125 THR H 1 126 LYS HA 5.940 . 5.940 5.377 4.740 6.103 0.163 18 0 "[ . 1 . 2]" 1
1453 1 125 THR HA 1 126 LYS H 4.400 . 4.400 2.658 2.129 3.584 . 0 0 "[ . 1 . 2]" 1
1454 1 125 THR HA 1 126 LYS QB 6.130 . 6.130 4.488 3.951 5.447 . 0 0 "[ . 1 . 2]" 1
1455 1 126 LYS HA 1 126 LYS QD 5.080 . 5.080 3.383 2.046 4.131 . 0 0 "[ . 1 . 2]" 1
1456 1 126 LYS QB 1 126 LYS HD2 3.760 . 3.760 2.638 2.287 3.445 . 0 0 "[ . 1 . 2]" 1
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