NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647795 |
6y95   |
34497 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6y95
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 825
_Distance_constraint_stats_list.Viol_count 280
_Distance_constraint_stats_list.Viol_total 244.260
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0436
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.034 0.034 15 0 "[ . 1 . 2]"
1 5 THR 0.106 0.043 9 0 "[ . 1 . 2]"
1 6 GLU 0.291 0.102 15 0 "[ . 1 . 2]"
1 7 GLU 0.013 0.013 16 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.336 0.114 1 0 "[ . 1 . 2]"
1 10 ALA 0.169 0.169 19 0 "[ . 1 . 2]"
1 11 GLU 0.410 0.087 4 0 "[ . 1 . 2]"
1 12 PHE 0.909 0.104 8 0 "[ . 1 . 2]"
1 13 LYS 0.119 0.066 4 0 "[ . 1 . 2]"
1 14 GLU 0.660 0.169 19 0 "[ . 1 . 2]"
1 15 ALA 0.419 0.069 14 0 "[ . 1 . 2]"
1 16 PHE 0.256 0.111 10 0 "[ . 1 . 2]"
1 17 SER 0.317 0.071 11 0 "[ . 1 . 2]"
1 18 LEU 0.114 0.027 12 0 "[ . 1 . 2]"
1 19 PHE 0.056 0.036 7 0 "[ . 1 . 2]"
1 20 ASP 0.357 0.071 11 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.079 0.051 4 0 "[ . 1 . 2]"
1 23 GLY 0.079 0.051 4 0 "[ . 1 . 2]"
1 24 ASP 0.012 0.012 6 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.520 0.073 10 0 "[ . 1 . 2]"
1 27 ILE 0.123 0.025 14 0 "[ . 1 . 2]"
1 28 THR 0.580 0.063 5 0 "[ . 1 . 2]"
1 29 THR 0.030 0.013 16 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.175 0.062 4 0 "[ . 1 . 2]"
1 32 LEU 1.003 0.123 1 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.104 0.065 6 0 "[ . 1 . 2]"
1 36 MET 0.193 0.089 14 0 "[ . 1 . 2]"
1 37 ARG 0.101 0.057 3 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 1.045 0.104 8 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.073 0.057 3 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.897 0.124 18 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.047 0.047 1 0 "[ . 1 . 2]"
1 54 GLU 0.463 0.124 18 0 "[ . 1 . 2]"
1 55 VAL 0.123 0.064 7 0 "[ . 1 . 2]"
1 56 ASP 0.047 0.047 1 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.002 0.002 17 0 "[ . 1 . 2]"
1 62 THR 0.019 0.009 16 0 "[ . 1 . 2]"
1 63 ILE 1.421 0.123 1 0 "[ . 1 . 2]"
1 64 ASP 0.902 0.111 10 0 "[ . 1 . 2]"
1 65 PHE 0.692 0.114 1 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.088 0.088 19 0 "[ . 1 . 2]"
1 68 PHE 0.468 0.134 11 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.088 0.088 19 0 "[ . 1 . 2]"
1 71 MET 0.737 0.134 11 0 "[ . 1 . 2]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.249 0.086 18 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 0.278 0.086 18 0 "[ . 1 . 2]"
1 77 LYS 0.029 0.018 9 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.119 0.048 10 0 "[ . 1 . 2]"
1 83 GLU 0.088 0.048 10 0 "[ . 1 . 2]"
1 84 GLU 0.006 0.006 5 0 "[ . 1 . 2]"
1 85 ILE 0.275 0.131 6 0 "[ . 1 . 2]"
1 86 ARG 0.032 0.032 2 0 "[ . 1 . 2]"
1 87 GLU 0.015 0.009 9 0 "[ . 1 . 2]"
1 88 ALA 0.106 0.097 6 0 "[ . 1 . 2]"
1 89 PHE 0.670 0.158 7 0 "[ . 1 . 2]"
1 90 ARG 0.029 0.029 7 0 "[ . 1 . 2]"
1 91 VAL 0.029 0.029 7 0 "[ . 1 . 2]"
1 92 PHE 0.159 0.075 15 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.025 0.016 13 0 "[ . 1 . 2]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.007 0.007 17 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 HIS 0.276 0.117 5 0 "[ . 1 . 2]"
1 108 VAL 0.397 0.117 5 0 "[ . 1 . 2]"
1 109 MET 0.526 0.158 7 0 "[ . 1 . 2]"
1 110 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ASP 0.141 0.141 13 0 "[ . 1 . 2]"
1 119 GLU 0.351 0.065 10 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.141 0.141 13 0 "[ . 1 . 2]"
1 122 ASP 0.577 0.068 13 0 "[ . 1 . 2]"
1 123 GLU 0.057 0.041 1 0 "[ . 1 . 2]"
1 124 MET 0.448 0.110 7 0 "[ . 1 . 2]"
1 125 ILE 0.639 0.114 18 0 "[ . 1 . 2]"
1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.101 0.049 1 0 "[ . 1 . 2]"
1 128 ALA 0.171 0.049 1 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLN 0.023 0.016 13 0 "[ . 1 . 2]"
1 136 VAL 0.108 0.064 5 0 "[ . 1 . 2]"
1 137 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.334 0.072 4 0 "[ . 1 . 2]"
1 139 GLU 0.195 0.102 10 0 "[ . 1 . 2]"
1 140 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 PHE 1.112 0.122 10 0 "[ . 1 . 2]"
1 142 VAL 0.804 0.131 6 0 "[ . 1 . 2]"
1 143 GLN 0.128 0.128 7 0 "[ . 1 . 2]"
1 144 MET 0.468 0.122 10 0 "[ . 1 . 2]"
1 145 MET 0.131 0.046 7 0 "[ . 1 . 2]"
1 146 THR 0.317 0.128 7 0 "[ . 1 . 2]"
1 147 ALA 0.190 0.063 14 0 "[ . 1 . 2]"
1 148 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 4 LEU H 3.520 . 3.620 2.651 2.166 3.358 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN QB 1 4 LEU H 4.180 . 4.280 3.279 2.314 3.892 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLN HB2 1 4 LEU H 4.880 . 4.980 3.723 2.535 4.436 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN HB3 1 4 LEU H 4.880 . 4.980 3.892 2.356 4.424 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN QG 1 4 LEU H 6.380 . 6.480 3.857 2.664 4.688 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU HG 5.250 . 5.350 3.847 2.355 4.512 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HG 1 5 THR H 4.420 . 4.520 3.759 2.886 4.554 0.034 15 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 5 THR MG 3.420 . 3.520 2.640 2.147 3.025 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 8 GLN H 5.040 . 5.140 3.799 3.217 4.520 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 8 GLN QB 3.960 . 4.060 3.194 2.055 3.948 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR H 1 8 GLN QG 5.330 . 5.430 3.308 2.237 5.248 . 0 0 "[ . 1 . 2]" 1
12 1 5 THR HA 1 5 THR HB 2.400 . 2.500 2.469 2.405 2.500 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR HA 1 6 GLU H 2.620 . 2.720 2.428 2.309 2.632 . 0 0 "[ . 1 . 2]" 1
14 1 5 THR HA 1 6 GLU QG 4.830 . 4.930 4.123 3.784 4.959 0.029 1 0 "[ . 1 . 2]" 1
15 1 5 THR HB 1 6 GLU H 2.680 . 2.780 2.576 2.166 2.823 0.043 9 0 "[ . 1 . 2]" 1
16 1 5 THR HB 1 7 GLU H 3.210 . 3.310 2.625 2.333 3.003 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR MG 1 6 GLU H 4.570 . 4.670 3.760 3.615 3.836 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR MG 1 7 GLU H 4.810 . 4.910 4.150 3.950 4.458 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR MG 1 8 GLN QG 5.790 . 5.890 4.145 3.257 5.404 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLU H 1 7 GLU H 2.900 . 3.000 2.605 2.395 2.754 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLU H 1 7 GLU QG 4.490 . 4.590 4.000 3.665 4.603 0.013 16 0 "[ . 1 . 2]" 1
22 1 6 GLU HA 1 9 ILE H 3.520 . 3.620 3.133 2.862 3.515 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLU HA 1 9 ILE HB 3.730 . 3.830 2.729 2.263 3.861 0.031 13 0 "[ . 1 . 2]" 1
24 1 6 GLU HA 1 9 ILE MD 3.420 . 3.520 2.333 2.163 3.622 0.102 15 0 "[ . 1 . 2]" 1
25 1 6 GLU HA 1 9 ILE MG 4.600 . 4.700 4.044 3.667 4.773 0.073 13 0 "[ . 1 . 2]" 1
26 1 6 GLU QB 1 7 GLU H 3.810 . 3.910 3.111 2.744 3.674 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU H 1 8 GLN H 2.860 . 2.960 2.666 2.577 2.815 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 10 ALA H 3.640 . 3.740 3.434 3.235 3.668 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU QB 1 8 GLN H 3.810 . 3.910 2.686 2.412 3.535 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU QB 1 8 GLN QG 5.220 . 5.320 3.681 2.852 4.935 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLU QG 1 8 GLN H 4.800 . 4.900 3.707 2.133 4.128 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLN HA 1 11 GLU H 3.520 . 3.620 3.107 2.861 3.409 . 0 0 "[ . 1 . 2]" 1
33 1 8 GLN HA 1 11 GLU QB 3.370 . 3.470 2.859 2.336 3.408 . 0 0 "[ . 1 . 2]" 1
34 1 8 GLN HA 1 12 PHE H 4.660 . 4.760 4.215 3.971 4.571 . 0 0 "[ . 1 . 2]" 1
35 1 8 GLN HA 1 12 PHE QD 7.630 . 7.730 4.653 4.226 5.161 . 0 0 "[ . 1 . 2]" 1
36 1 8 GLN QB 1 9 ILE H 4.830 . 4.930 2.845 2.568 3.648 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLN QB 1 9 ILE QG 7.040 . 7.140 3.555 3.156 4.546 . 0 0 "[ . 1 . 2]" 1
38 1 8 GLN QG 1 9 ILE H 5.110 . 5.210 3.939 2.547 4.582 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE HA 1 9 ILE HB 2.830 . 2.930 2.862 2.835 2.894 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE HA 1 12 PHE H 3.520 . 3.620 3.385 3.238 3.530 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE HA 1 12 PHE QB 3.010 . 3.110 2.768 2.456 2.980 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE HA 1 13 LYS H 5.280 . 5.380 4.179 4.018 4.318 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE HB 1 10 ALA MB 4.780 . 4.880 4.229 4.025 4.368 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE MD 1 10 ALA H 6.520 . 6.620 4.723 4.542 4.829 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE QG 1 10 ALA H 6.380 . 6.480 4.073 3.756 4.232 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE MG 1 10 ALA H 5.310 . 5.410 3.592 3.469 3.756 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE MG 1 13 LYS H 5.500 . 5.600 4.023 3.883 4.192 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE MG 1 13 LYS QB 3.610 . 3.710 3.391 2.990 3.725 0.015 13 0 "[ . 1 . 2]" 1
49 1 9 ILE MG 1 65 PHE HZ 3.420 . 3.520 2.960 2.544 3.634 0.114 1 0 "[ . 1 . 2]" 1
50 1 10 ALA HA 1 11 GLU QB 6.100 . 6.200 5.334 5.109 5.417 . 0 0 "[ . 1 . 2]" 1
51 1 10 ALA HA 1 13 LYS H 4.600 . 4.700 3.276 3.095 3.494 . 0 0 "[ . 1 . 2]" 1
52 1 10 ALA HA 1 14 GLU QG 6.380 . 6.480 4.532 4.041 6.258 . 0 0 "[ . 1 . 2]" 1
53 1 10 ALA MB 1 11 GLU H 4.100 . 4.200 2.615 2.522 2.745 . 0 0 "[ . 1 . 2]" 1
54 1 10 ALA MB 1 14 GLU QG 4.770 . 4.870 3.846 3.449 5.039 0.169 19 0 "[ . 1 . 2]" 1
55 1 11 GLU H 1 12 PHE H 2.860 . 2.960 2.701 2.628 2.774 . 0 0 "[ . 1 . 2]" 1
56 1 11 GLU HA 1 14 GLU H 3.520 . 3.620 3.397 3.152 3.652 0.032 11 0 "[ . 1 . 2]" 1
57 1 11 GLU HA 1 14 GLU QB 3.340 . 3.440 3.122 2.348 3.527 0.087 4 0 "[ . 1 . 2]" 1
58 1 11 GLU HA 1 14 GLU QG 3.560 . 3.660 3.323 2.416 3.728 0.068 17 0 "[ . 1 . 2]" 1
59 1 11 GLU QB 1 12 PHE H 3.710 . 3.810 2.561 2.465 2.689 . 0 0 "[ . 1 . 2]" 1
60 1 11 GLU QB 1 12 PHE HA 4.430 . 4.530 3.907 3.788 4.093 . 0 0 "[ . 1 . 2]" 1
61 1 12 PHE H 1 13 LYS H 2.900 . 3.000 2.624 2.572 2.708 . 0 0 "[ . 1 . 2]" 1
62 1 12 PHE HA 1 12 PHE QB 2.560 . 2.660 2.364 2.306 2.402 . 0 0 "[ . 1 . 2]" 1
63 1 12 PHE HA 1 15 ALA MB 3.600 . 3.700 2.902 2.578 3.362 . 0 0 "[ . 1 . 2]" 1
64 1 12 PHE HA 1 39 LEU QD 5.920 . 6.020 2.344 2.094 3.505 . 0 0 "[ . 1 . 2]" 1
65 1 12 PHE HA 1 39 LEU HG 4.010 . 4.110 4.020 3.427 4.214 0.104 8 0 "[ . 1 . 2]" 1
66 1 12 PHE QB 1 13 LYS H 3.090 . 3.190 2.682 2.538 2.835 . 0 0 "[ . 1 . 2]" 1
67 1 12 PHE QB 1 65 PHE QE 6.310 . 6.410 3.086 2.279 3.896 . 0 0 "[ . 1 . 2]" 1
68 1 12 PHE QB 1 65 PHE HZ 4.820 . 4.920 3.398 2.609 4.233 . 0 0 "[ . 1 . 2]" 1
69 1 12 PHE QB 1 68 PHE QE 5.700 . 5.800 2.719 2.167 4.186 . 0 0 "[ . 1 . 2]" 1
70 1 12 PHE QB 1 69 LEU QD 5.390 . 5.490 2.759 2.162 3.561 . 0 0 "[ . 1 . 2]" 1
71 1 12 PHE HB2 1 13 LYS H 3.610 . 3.710 2.784 2.652 2.996 . 0 0 "[ . 1 . 2]" 1
72 1 12 PHE HB2 1 68 PHE QE 6.550 . 6.650 4.190 3.523 5.590 . 0 0 "[ . 1 . 2]" 1
73 1 12 PHE HB3 1 13 LYS H 3.610 . 3.710 3.526 3.234 3.679 . 0 0 "[ . 1 . 2]" 1
74 1 12 PHE HB3 1 68 PHE QE 6.550 . 6.650 2.762 2.187 4.323 . 0 0 "[ . 1 . 2]" 1
75 1 13 LYS H 1 14 GLU H 2.860 . 2.960 2.697 2.577 2.858 . 0 0 "[ . 1 . 2]" 1
76 1 13 LYS H 1 65 PHE QE 7.070 . 7.170 3.951 3.580 4.577 . 0 0 "[ . 1 . 2]" 1
77 1 13 LYS H 1 65 PHE HZ 4.070 . 4.170 3.493 3.015 4.129 . 0 0 "[ . 1 . 2]" 1
78 1 13 LYS HA 1 13 LYS QG 2.530 . 2.630 2.434 2.243 2.623 . 0 0 "[ . 1 . 2]" 1
79 1 13 LYS HA 1 16 PHE HB2 3.580 . 3.680 3.345 3.110 3.678 . 0 0 "[ . 1 . 2]" 1
80 1 13 LYS HA 1 16 PHE QB 2.850 . 2.950 2.642 2.449 2.852 . 0 0 "[ . 1 . 2]" 1
81 1 13 LYS HA 1 16 PHE HB3 3.580 . 3.680 2.772 2.563 2.971 . 0 0 "[ . 1 . 2]" 1
82 1 13 LYS HA 1 16 PHE QD 7.630 . 7.730 4.454 4.308 4.623 . 0 0 "[ . 1 . 2]" 1
83 1 13 LYS HA 1 65 PHE QD 7.100 . 7.200 3.992 3.724 4.548 . 0 0 "[ . 1 . 2]" 1
84 1 13 LYS HA 1 65 PHE QE 4.870 . 4.970 2.519 2.127 2.842 . 0 0 "[ . 1 . 2]" 1
85 1 13 LYS HA 1 65 PHE HZ 3.020 . 3.120 3.065 2.831 3.186 0.066 4 0 "[ . 1 . 2]" 1
86 1 13 LYS QB 1 13 LYS QD 3.160 . 3.260 2.194 2.046 2.841 . 0 0 "[ . 1 . 2]" 1
87 1 13 LYS QB 1 14 GLU H 2.930 . 3.030 2.617 2.477 2.783 . 0 0 "[ . 1 . 2]" 1
88 1 13 LYS QB 1 14 GLU QG 6.160 . 6.260 3.756 2.933 5.459 . 0 0 "[ . 1 . 2]" 1
89 1 13 LYS QB 1 65 PHE QE 7.310 . 7.410 3.277 2.945 3.700 . 0 0 "[ . 1 . 2]" 1
90 1 13 LYS QB 1 65 PHE HZ 4.360 . 4.460 2.541 2.209 2.950 . 0 0 "[ . 1 . 2]" 1
91 1 13 LYS QG 1 16 PHE QD 6.400 . 6.500 4.480 3.902 4.997 . 0 0 "[ . 1 . 2]" 1
92 1 13 LYS QG 1 65 PHE QE 5.720 . 5.820 3.322 2.976 3.983 . 0 0 "[ . 1 . 2]" 1
93 1 14 GLU H 1 15 ALA H 2.860 . 2.960 2.645 2.529 2.781 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLU HA 1 17 SER QB 3.560 . 3.660 2.797 2.307 3.661 0.001 16 0 "[ . 1 . 2]" 1
95 1 14 GLU QB 1 15 ALA H 4.520 . 4.620 2.727 2.507 3.425 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLU QB 1 15 ALA HA 5.480 . 5.580 3.999 3.815 4.575 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLU QB 1 15 ALA MB 4.450 . 4.550 3.987 3.739 4.600 0.050 4 0 "[ . 1 . 2]" 1
98 1 15 ALA H 1 16 PHE H 2.860 . 2.960 2.620 2.545 2.678 . 0 0 "[ . 1 . 2]" 1
99 1 15 ALA H 1 39 LEU QD 7.040 . 7.140 3.801 3.366 4.640 . 0 0 "[ . 1 . 2]" 1
100 1 15 ALA HA 1 18 LEU H 3.520 . 3.620 3.581 3.471 3.647 0.027 12 0 "[ . 1 . 2]" 1
101 1 15 ALA HA 1 18 LEU QB 4.610 . 4.710 2.876 2.603 3.594 . 0 0 "[ . 1 . 2]" 1
102 1 15 ALA HA 1 18 LEU QD 4.140 . 4.240 2.769 2.344 3.366 . 0 0 "[ . 1 . 2]" 1
103 1 15 ALA HA 1 18 LEU HG 5.500 . 5.600 4.387 2.484 5.406 . 0 0 "[ . 1 . 2]" 1
104 1 15 ALA HA 1 35 VAL MG1 5.560 . 5.660 4.214 3.936 5.230 . 0 0 "[ . 1 . 2]" 1
105 1 15 ALA HA 1 35 VAL MG2 5.560 . 5.660 5.174 4.792 5.725 0.065 6 0 "[ . 1 . 2]" 1
106 1 15 ALA HA 1 38 SER QB 4.060 . 4.160 3.514 2.986 3.830 . 0 0 "[ . 1 . 2]" 1
107 1 15 ALA MB 1 16 PHE H 4.100 . 4.200 2.648 2.606 2.726 . 0 0 "[ . 1 . 2]" 1
108 1 15 ALA MB 1 16 PHE HA 4.440 . 4.540 3.899 3.835 4.016 . 0 0 "[ . 1 . 2]" 1
109 1 15 ALA MB 1 18 LEU QD 6.590 . 6.690 3.690 3.099 4.400 . 0 0 "[ . 1 . 2]" 1
110 1 15 ALA MB 1 19 PHE QD 7.930 . 8.030 4.612 4.350 5.143 . 0 0 "[ . 1 . 2]" 1
111 1 15 ALA MB 1 19 PHE QE 8.190 . 8.290 4.092 3.766 4.696 . 0 0 "[ . 1 . 2]" 1
112 1 15 ALA MB 1 38 SER QB 6.350 . 6.450 2.543 2.101 3.527 . 0 0 "[ . 1 . 2]" 1
113 1 15 ALA MB 1 39 LEU HA 5.460 . 5.560 3.695 3.227 4.512 . 0 0 "[ . 1 . 2]" 1
114 1 15 ALA MB 1 39 LEU QD 6.170 . 6.270 2.208 1.751 2.625 . 0 0 "[ . 1 . 2]" 1
115 1 15 ALA MB 1 39 LEU HG 3.420 . 3.520 2.532 2.186 3.589 0.069 14 0 "[ . 1 . 2]" 1
116 1 15 ALA MB 1 68 PHE QE 7.040 . 7.140 4.535 3.821 5.324 . 0 0 "[ . 1 . 2]" 1
117 1 16 PHE H 1 17 SER H 2.860 . 2.960 2.573 2.496 2.641 . 0 0 "[ . 1 . 2]" 1
118 1 16 PHE H 1 65 PHE QE 7.630 . 7.730 4.468 4.260 4.658 . 0 0 "[ . 1 . 2]" 1
119 1 16 PHE HA 1 19 PHE QD 7.630 . 7.730 3.570 3.193 3.927 . 0 0 "[ . 1 . 2]" 1
120 1 16 PHE HA 1 19 PHE QE 7.630 . 7.730 5.141 4.367 5.694 . 0 0 "[ . 1 . 2]" 1
121 1 16 PHE HA 1 27 ILE MG 6.520 . 6.620 3.422 3.080 3.969 . 0 0 "[ . 1 . 2]" 1
122 1 16 PHE HA 1 35 VAL HB 5.500 . 5.600 4.526 4.346 4.785 . 0 0 "[ . 1 . 2]" 1
123 1 16 PHE HA 1 35 VAL MG1 4.290 . 4.390 2.363 2.134 2.705 . 0 0 "[ . 1 . 2]" 1
124 1 16 PHE HA 1 35 VAL QG 3.710 . 3.810 2.138 1.995 2.268 . 0 0 "[ . 1 . 2]" 1
125 1 16 PHE HA 1 35 VAL MG2 4.290 . 4.390 2.524 2.215 3.142 . 0 0 "[ . 1 . 2]" 1
126 1 16 PHE QB 1 17 SER H 3.300 . 3.400 2.443 2.355 2.502 . 0 0 "[ . 1 . 2]" 1
127 1 16 PHE QB 1 35 VAL QG 4.430 . 4.530 2.899 2.574 3.179 . 0 0 "[ . 1 . 2]" 1
128 1 16 PHE QB 1 65 PHE QD 4.430 . 4.530 2.956 2.731 3.243 . 0 0 "[ . 1 . 2]" 1
129 1 16 PHE QD 1 17 SER H 7.630 . 7.730 3.459 3.131 3.758 . 0 0 "[ . 1 . 2]" 1
130 1 16 PHE QD 1 27 ILE MD 8.030 . 8.130 3.052 2.777 3.322 . 0 0 "[ . 1 . 2]" 1
131 1 16 PHE QD 1 27 ILE MG 7.900 . 8.000 3.225 3.125 3.419 . 0 0 "[ . 1 . 2]" 1
132 1 16 PHE QD 1 35 VAL MG1 8.550 . 8.650 2.785 2.122 3.231 . 0 0 "[ . 1 . 2]" 1
133 1 16 PHE QD 1 35 VAL QG 7.550 . 7.650 2.652 2.081 2.956 . 0 0 "[ . 1 . 2]" 1
134 1 16 PHE QD 1 35 VAL MG2 8.550 . 8.650 3.440 2.998 4.005 . 0 0 "[ . 1 . 2]" 1
135 1 16 PHE QD 1 64 ASP QB 7.320 . 7.420 6.551 6.329 6.715 . 0 0 "[ . 1 . 2]" 1
136 1 16 PHE QD 1 65 PHE H 7.630 . 7.730 5.268 5.020 5.510 . 0 0 "[ . 1 . 2]" 1
137 1 16 PHE QD 1 65 PHE HA 6.450 . 6.550 3.856 3.606 4.096 . 0 0 "[ . 1 . 2]" 1
138 1 16 PHE QD 1 65 PHE QB 5.410 . 5.510 3.717 3.418 4.109 . 0 0 "[ . 1 . 2]" 1
139 1 16 PHE QD 1 65 PHE QE 6.660 . 6.760 3.888 3.666 4.069 . 0 0 "[ . 1 . 2]" 1
140 1 16 PHE QD 1 68 PHE QB 8.510 . 8.610 3.149 2.879 3.394 . 0 0 "[ . 1 . 2]" 1
141 1 16 PHE QD 1 68 PHE QD 6.660 . 6.760 3.196 2.550 3.593 . 0 0 "[ . 1 . 2]" 1
142 1 16 PHE QE 1 26 THR HA 6.550 . 6.650 3.039 2.643 3.273 . 0 0 "[ . 1 . 2]" 1
143 1 16 PHE QE 1 27 ILE MD 7.600 . 7.700 2.682 2.581 2.824 . 0 0 "[ . 1 . 2]" 1
144 1 16 PHE QE 1 27 ILE QG 6.630 . 6.730 2.482 2.338 2.624 . 0 0 "[ . 1 . 2]" 1
145 1 16 PHE QE 1 27 ILE MG 7.190 . 7.290 2.851 2.771 2.973 . 0 0 "[ . 1 . 2]" 1
146 1 16 PHE QE 1 63 ILE MG 7.540 . 7.640 3.410 3.035 3.861 . 0 0 "[ . 1 . 2]" 1
147 1 16 PHE QE 1 64 ASP HA 6.330 . 6.430 4.107 3.943 4.299 . 0 0 "[ . 1 . 2]" 1
148 1 16 PHE QE 1 65 PHE H 7.630 . 7.730 3.750 3.605 3.928 . 0 0 "[ . 1 . 2]" 1
149 1 16 PHE QE 1 65 PHE HA 6.390 . 6.490 2.935 2.811 3.064 . 0 0 "[ . 1 . 2]" 1
150 1 16 PHE QE 1 65 PHE QD 6.660 . 6.760 3.472 3.201 3.656 . 0 0 "[ . 1 . 2]" 1
151 1 16 PHE QE 1 68 PHE QB 8.510 . 8.610 2.366 2.215 2.502 . 0 0 "[ . 1 . 2]" 1
152 1 16 PHE HZ 1 26 THR HA 2.430 . 2.530 2.252 2.141 2.466 . 0 0 "[ . 1 . 2]" 1
153 1 16 PHE HZ 1 26 THR HB 4.510 . 4.610 4.430 4.156 4.683 0.073 10 0 "[ . 1 . 2]" 1
154 1 16 PHE HZ 1 27 ILE H 3.790 . 3.890 2.940 2.744 3.142 . 0 0 "[ . 1 . 2]" 1
155 1 16 PHE HZ 1 27 ILE MD 6.520 . 6.620 3.985 3.689 4.310 . 0 0 "[ . 1 . 2]" 1
156 1 16 PHE HZ 1 27 ILE QG 4.850 . 4.950 2.813 2.526 3.213 . 0 0 "[ . 1 . 2]" 1
157 1 16 PHE HZ 1 27 ILE MG 6.270 . 6.370 2.986 2.828 3.196 . 0 0 "[ . 1 . 2]" 1
158 1 16 PHE HZ 1 63 ILE MG 6.520 . 6.620 4.346 4.101 4.708 . 0 0 "[ . 1 . 2]" 1
159 1 16 PHE HZ 1 64 ASP HA 3.020 . 3.120 2.980 2.794 3.231 0.111 10 0 "[ . 1 . 2]" 1
160 1 16 PHE HZ 1 64 ASP QB 5.340 . 5.440 4.437 4.268 4.685 . 0 0 "[ . 1 . 2]" 1
161 1 16 PHE HZ 1 65 PHE H 5.500 . 5.600 3.152 2.967 3.365 . 0 0 "[ . 1 . 2]" 1
162 1 17 SER H 1 18 LEU H 2.900 . 3.000 2.649 2.560 2.781 . 0 0 "[ . 1 . 2]" 1
163 1 17 SER HA 1 20 ASP H 3.520 . 3.620 2.805 2.487 3.016 . 0 0 "[ . 1 . 2]" 1
164 1 17 SER HA 1 20 ASP HB2 3.080 . 3.180 2.994 2.653 3.251 0.071 11 0 "[ . 1 . 2]" 1
165 1 17 SER HA 1 20 ASP QB 2.660 . 2.760 2.263 2.043 2.536 . 0 0 "[ . 1 . 2]" 1
166 1 17 SER HA 1 20 ASP HB3 3.080 . 3.180 2.381 2.066 2.817 . 0 0 "[ . 1 . 2]" 1
167 1 17 SER QB 1 18 LEU H 4.460 . 4.560 3.079 2.767 3.667 . 0 0 "[ . 1 . 2]" 1
168 1 17 SER QB 1 20 ASP QB 5.000 . 5.100 3.830 3.405 4.154 . 0 0 "[ . 1 . 2]" 1
169 1 18 LEU H 1 19 PHE H 2.860 . 2.960 2.620 2.541 2.698 . 0 0 "[ . 1 . 2]" 1
170 1 18 LEU QB 1 19 PHE H 2.960 . 3.060 2.875 2.626 3.004 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU QB 1 19 PHE QD 7.320 . 7.420 2.827 2.514 3.222 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU QB 1 19 PHE QE 7.320 . 7.420 3.042 2.883 3.471 . 0 0 "[ . 1 . 2]" 1
173 1 18 LEU HB2 1 19 PHE H 3.640 . 3.740 3.453 2.940 3.756 0.016 4 0 "[ . 1 . 2]" 1
174 1 18 LEU HB3 1 19 PHE H 3.640 . 3.740 3.188 2.681 3.715 . 0 0 "[ . 1 . 2]" 1
175 1 18 LEU QD 1 38 SER QB 7.260 . 7.360 2.954 2.209 4.603 . 0 0 "[ . 1 . 2]" 1
176 1 19 PHE H 1 19 PHE QB 3.060 . 3.160 2.501 2.409 2.577 . 0 0 "[ . 1 . 2]" 1
177 1 19 PHE H 1 20 ASP H 2.400 . 2.500 2.087 2.004 2.203 . 0 0 "[ . 1 . 2]" 1
178 1 19 PHE H 1 27 ILE MG 5.060 . 5.160 3.945 3.619 4.256 . 0 0 "[ . 1 . 2]" 1
179 1 19 PHE HA 1 27 ILE MG 6.520 . 6.620 4.654 4.276 4.909 . 0 0 "[ . 1 . 2]" 1
180 1 19 PHE QB 1 20 ASP H 3.230 . 3.330 3.207 2.913 3.366 0.036 7 0 "[ . 1 . 2]" 1
181 1 19 PHE QB 1 27 ILE MG 3.940 . 4.040 2.612 2.284 3.025 . 0 0 "[ . 1 . 2]" 1
182 1 19 PHE QB 1 35 VAL QG 3.930 . 4.030 2.658 2.294 3.248 . 0 0 "[ . 1 . 2]" 1
183 1 19 PHE HB2 1 27 ILE MG 4.630 . 4.730 2.718 2.350 3.139 . 0 0 "[ . 1 . 2]" 1
184 1 19 PHE HB3 1 27 ILE MG 4.630 . 4.730 3.409 3.005 3.959 . 0 0 "[ . 1 . 2]" 1
185 1 19 PHE QD 1 27 ILE MG 8.650 . 8.750 3.987 3.519 4.293 . 0 0 "[ . 1 . 2]" 1
186 1 19 PHE QD 1 34 THR HB 7.630 . 7.730 3.635 3.224 3.867 . 0 0 "[ . 1 . 2]" 1
187 1 19 PHE QD 1 34 THR MG 6.790 . 6.890 3.686 3.168 4.005 . 0 0 "[ . 1 . 2]" 1
188 1 19 PHE QD 1 35 VAL HA 7.320 . 7.420 3.127 2.719 3.474 . 0 0 "[ . 1 . 2]" 1
189 1 19 PHE QD 1 35 VAL MG1 7.930 . 8.030 3.630 3.248 3.889 . 0 0 "[ . 1 . 2]" 1
190 1 19 PHE QD 1 35 VAL MG2 7.930 . 8.030 2.128 1.923 2.364 . 0 0 "[ . 1 . 2]" 1
191 1 19 PHE QE 1 34 THR HB 7.630 . 7.730 3.164 2.909 3.812 . 0 0 "[ . 1 . 2]" 1
192 1 19 PHE QE 1 34 THR MG 7.500 . 7.600 2.438 2.324 2.699 . 0 0 "[ . 1 . 2]" 1
193 1 19 PHE QE 1 35 VAL HA 7.040 . 7.140 2.480 2.209 2.847 . 0 0 "[ . 1 . 2]" 1
194 1 19 PHE QE 1 35 VAL QG 7.010 . 7.110 3.184 2.913 3.372 . 0 0 "[ . 1 . 2]" 1
195 1 19 PHE QE 1 38 SER QB 8.510 . 8.610 2.478 2.073 3.017 . 0 0 "[ . 1 . 2]" 1
196 1 19 PHE HZ 1 34 THR HA 4.910 . 5.010 4.523 4.206 4.794 . 0 0 "[ . 1 . 2]" 1
197 1 19 PHE HZ 1 34 THR HB 5.000 . 5.100 3.441 2.980 4.385 . 0 0 "[ . 1 . 2]" 1
198 1 19 PHE HZ 1 34 THR MG 4.440 . 4.540 2.630 2.446 3.111 . 0 0 "[ . 1 . 2]" 1
199 1 19 PHE HZ 1 38 SER QB 6.380 . 6.480 3.374 2.437 4.089 . 0 0 "[ . 1 . 2]" 1
200 1 20 ASP H 1 21 LYS H 4.690 . 4.790 4.023 3.487 4.525 . 0 0 "[ . 1 . 2]" 1
201 1 20 ASP H 1 27 ILE MG 5.430 . 5.530 3.578 3.303 4.148 . 0 0 "[ . 1 . 2]" 1
202 1 20 ASP HA 1 21 LYS H 2.550 . 2.650 2.296 2.147 2.515 . 0 0 "[ . 1 . 2]" 1
203 1 20 ASP HA 1 27 ILE MG 3.730 . 3.830 3.279 2.850 3.743 . 0 0 "[ . 1 . 2]" 1
204 1 20 ASP QB 1 27 ILE MG 3.640 . 3.740 3.048 2.670 3.660 . 0 0 "[ . 1 . 2]" 1
205 1 21 LYS H 1 22 ASP H 2.800 . 2.900 2.517 2.216 2.725 . 0 0 "[ . 1 . 2]" 1
206 1 21 LYS QB 1 22 ASP H 4.770 . 4.870 3.120 2.563 3.756 . 0 0 "[ . 1 . 2]" 1
207 1 22 ASP H 1 23 GLY H 2.770 . 2.870 2.158 1.922 2.463 . 0 0 "[ . 1 . 2]" 1
208 1 22 ASP QB 1 23 GLY H 3.120 . 3.220 2.831 2.728 2.953 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASP HB2 1 23 GLY H 3.610 . 3.710 2.944 2.813 3.121 . 0 0 "[ . 1 . 2]" 1
210 1 22 ASP HB3 1 23 GLY H 3.610 . 3.710 3.686 3.646 3.761 0.051 4 0 "[ . 1 . 2]" 1
211 1 23 GLY H 1 24 ASP H 2.960 . 3.060 2.328 2.102 2.603 . 0 0 "[ . 1 . 2]" 1
212 1 24 ASP H 1 25 GLY H 2.590 . 2.690 2.508 2.288 2.612 . 0 0 "[ . 1 . 2]" 1
213 1 24 ASP H 1 26 THR H 4.170 . 4.270 3.630 3.292 3.844 . 0 0 "[ . 1 . 2]" 1
214 1 24 ASP HA 1 25 GLY H 3.550 . 3.650 3.278 3.164 3.342 . 0 0 "[ . 1 . 2]" 1
215 1 24 ASP QB 1 26 THR H 3.610 . 3.710 3.240 2.807 3.722 0.012 6 0 "[ . 1 . 2]" 1
216 1 25 GLY H 1 26 THR H 3.360 . 3.460 2.348 2.191 2.534 . 0 0 "[ . 1 . 2]" 1
217 1 25 GLY QA 1 26 THR HA 5.290 . 5.390 3.905 3.848 3.953 . 0 0 "[ . 1 . 2]" 1
218 1 25 GLY QA 1 26 THR MG 5.310 . 5.410 3.448 3.348 3.521 . 0 0 "[ . 1 . 2]" 1
219 1 26 THR HA 1 26 THR HB 2.650 . 2.750 2.477 2.380 2.512 . 0 0 "[ . 1 . 2]" 1
220 1 26 THR HA 1 27 ILE H 3.520 . 3.620 2.393 2.317 2.466 . 0 0 "[ . 1 . 2]" 1
221 1 26 THR HA 1 27 ILE QG 5.340 . 5.440 3.850 3.730 3.969 . 0 0 "[ . 1 . 2]" 1
222 1 26 THR HA 1 27 ILE MG 5.310 . 5.410 3.791 3.698 3.844 . 0 0 "[ . 1 . 2]" 1
223 1 26 THR HA 1 64 ASP HA 2.400 . 2.500 2.312 2.212 2.453 . 0 0 "[ . 1 . 2]" 1
224 1 26 THR HA 1 64 ASP QB 4.510 . 4.610 3.909 3.717 4.118 . 0 0 "[ . 1 . 2]" 1
225 1 26 THR HA 1 65 PHE H 3.480 . 3.580 3.433 3.279 3.617 0.037 6 0 "[ . 1 . 2]" 1
226 1 26 THR HB 1 27 ILE H 3.330 . 3.430 2.567 2.460 2.826 . 0 0 "[ . 1 . 2]" 1
227 1 26 THR HB 1 62 THR HB 4.480 . 4.580 2.943 2.349 3.584 . 0 0 "[ . 1 . 2]" 1
228 1 26 THR HB 1 63 ILE H 4.660 . 4.760 3.698 3.274 4.128 . 0 0 "[ . 1 . 2]" 1
229 1 26 THR HB 1 64 ASP H 5.500 . 5.600 4.977 4.208 5.320 . 0 0 "[ . 1 . 2]" 1
230 1 26 THR HB 1 64 ASP HA 3.330 . 3.430 3.337 2.822 3.490 0.060 19 0 "[ . 1 . 2]" 1
231 1 26 THR MG 1 62 THR HB 6.520 . 6.620 3.823 3.444 4.348 . 0 0 "[ . 1 . 2]" 1
232 1 26 THR MG 1 64 ASP HA 3.420 . 3.520 2.447 2.208 2.878 . 0 0 "[ . 1 . 2]" 1
233 1 26 THR MG 1 64 ASP HB2 4.100 . 4.200 4.011 3.890 4.150 . 0 0 "[ . 1 . 2]" 1
234 1 26 THR MG 1 64 ASP QB 3.550 . 3.650 2.821 2.516 3.061 . 0 0 "[ . 1 . 2]" 1
235 1 26 THR MG 1 64 ASP HB3 4.100 . 4.200 2.886 2.547 3.152 . 0 0 "[ . 1 . 2]" 1
236 1 27 ILE H 1 27 ILE HG12 4.570 . 4.670 2.434 2.384 2.519 . 0 0 "[ . 1 . 2]" 1
237 1 27 ILE H 1 27 ILE QG 3.880 . 3.980 2.314 2.268 2.379 . 0 0 "[ . 1 . 2]" 1
238 1 27 ILE H 1 27 ILE HG13 4.570 . 4.670 2.894 2.791 2.989 . 0 0 "[ . 1 . 2]" 1
239 1 27 ILE H 1 63 ILE H 4.450 . 4.550 2.863 2.713 3.012 . 0 0 "[ . 1 . 2]" 1
240 1 27 ILE H 1 63 ILE HB 4.570 . 4.670 3.881 3.689 4.209 . 0 0 "[ . 1 . 2]" 1
241 1 27 ILE H 1 64 ASP HA 3.610 . 3.710 3.462 3.252 3.599 . 0 0 "[ . 1 . 2]" 1
242 1 27 ILE HA 1 28 THR H 2.770 . 2.870 2.577 2.477 2.651 . 0 0 "[ . 1 . 2]" 1
243 1 27 ILE HA 1 28 THR MG 6.520 . 6.620 3.829 3.694 3.957 . 0 0 "[ . 1 . 2]" 1
244 1 27 ILE HB 1 28 THR H 2.860 . 2.960 2.523 2.294 2.733 . 0 0 "[ . 1 . 2]" 1
245 1 27 ILE HB 1 35 VAL QG 3.970 . 4.070 3.426 2.926 3.831 . 0 0 "[ . 1 . 2]" 1
246 1 27 ILE MD 1 28 THR H 5.780 . 5.880 4.169 3.890 4.413 . 0 0 "[ . 1 . 2]" 1
247 1 27 ILE MD 1 32 LEU H 5.870 . 5.970 3.306 3.045 3.489 . 0 0 "[ . 1 . 2]" 1
248 1 27 ILE MD 1 32 LEU HA 3.640 . 3.740 2.224 2.067 2.453 . 0 0 "[ . 1 . 2]" 1
249 1 27 ILE MD 1 32 LEU QB 5.600 . 5.700 2.988 2.544 3.217 . 0 0 "[ . 1 . 2]" 1
250 1 27 ILE MD 1 32 LEU QD 4.500 . 4.600 2.504 2.248 2.757 . 0 0 "[ . 1 . 2]" 1
251 1 27 ILE MD 1 35 VAL HB 4.070 . 4.170 3.164 2.838 3.521 . 0 0 "[ . 1 . 2]" 1
252 1 27 ILE MD 1 35 VAL MG1 6.390 . 6.490 3.169 2.574 3.544 . 0 0 "[ . 1 . 2]" 1
253 1 27 ILE MD 1 35 VAL QG 5.110 . 5.210 2.023 1.961 2.108 . 0 0 "[ . 1 . 2]" 1
254 1 27 ILE MD 1 35 VAL MG2 6.390 . 6.490 2.054 1.978 2.136 . 0 0 "[ . 1 . 2]" 1
255 1 27 ILE MD 1 63 ILE HB 4.820 . 4.920 2.971 2.801 3.204 . 0 0 "[ . 1 . 2]" 1
256 1 27 ILE MD 1 63 ILE QG 5.250 . 5.350 4.269 4.047 4.541 . 0 0 "[ . 1 . 2]" 1
257 1 27 ILE MD 1 68 PHE QB 6.900 . 7.000 3.464 3.201 3.782 . 0 0 "[ . 1 . 2]" 1
258 1 27 ILE MD 1 68 PHE QD 7.970 . 8.070 3.100 2.294 4.055 . 0 0 "[ . 1 . 2]" 1
259 1 27 ILE MD 1 68 PHE QE 8.400 . 8.500 3.915 3.066 4.862 . 0 0 "[ . 1 . 2]" 1
260 1 27 ILE QG 1 29 THR HA 5.000 . 5.100 4.323 4.165 4.603 . 0 0 "[ . 1 . 2]" 1
261 1 27 ILE QG 1 32 LEU H 4.340 . 4.440 4.383 4.240 4.465 0.025 14 0 "[ . 1 . 2]" 1
262 1 27 ILE QG 1 32 LEU HA 5.030 . 5.130 4.138 3.909 4.356 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE QG 1 32 LEU QD 4.630 . 4.730 3.874 3.642 4.048 . 0 0 "[ . 1 . 2]" 1
264 1 27 ILE QG 1 63 ILE H 3.320 . 3.420 3.076 2.982 3.152 . 0 0 "[ . 1 . 2]" 1
265 1 27 ILE QG 1 63 ILE HB 3.780 . 3.880 2.447 2.270 2.688 . 0 0 "[ . 1 . 2]" 1
266 1 27 ILE QG 1 63 ILE QG 4.910 . 5.010 3.788 3.558 4.003 . 0 0 "[ . 1 . 2]" 1
267 1 27 ILE MG 1 28 THR H 5.310 . 5.410 3.766 3.681 3.852 . 0 0 "[ . 1 . 2]" 1
268 1 27 ILE MG 1 35 VAL HB 6.520 . 6.620 4.558 4.147 5.065 . 0 0 "[ . 1 . 2]" 1
269 1 27 ILE MG 1 35 VAL QG 5.640 . 5.740 2.315 2.033 2.701 . 0 0 "[ . 1 . 2]" 1
270 1 27 ILE MG 1 68 PHE QB 6.380 . 6.480 4.961 4.682 5.179 . 0 0 "[ . 1 . 2]" 1
271 1 28 THR H 1 31 GLU H 3.830 . 3.930 3.561 3.244 3.838 . 0 0 "[ . 1 . 2]" 1
272 1 28 THR H 1 31 GLU HB2 3.360 . 3.460 2.465 2.047 3.047 . 0 0 "[ . 1 . 2]" 1
273 1 28 THR H 1 31 GLU QB 2.780 . 2.880 2.354 2.033 2.772 . 0 0 "[ . 1 . 2]" 1
274 1 28 THR H 1 31 GLU HB3 3.360 . 3.460 3.273 2.700 3.522 0.062 4 0 "[ . 1 . 2]" 1
275 1 28 THR HA 1 29 THR H 2.900 . 3.000 2.482 2.448 2.536 . 0 0 "[ . 1 . 2]" 1
276 1 28 THR HA 1 29 THR HA 5.440 . 5.540 4.300 4.215 4.338 . 0 0 "[ . 1 . 2]" 1
277 1 28 THR HA 1 62 THR HA 2.520 . 2.620 2.194 2.081 2.339 . 0 0 "[ . 1 . 2]" 1
278 1 28 THR HA 1 62 THR HB 4.510 . 4.610 3.766 3.296 4.051 . 0 0 "[ . 1 . 2]" 1
279 1 28 THR HA 1 63 ILE H 3.240 . 3.340 3.305 3.007 3.403 0.063 5 0 "[ . 1 . 2]" 1
280 1 28 THR HB 1 29 THR H 2.930 . 3.030 2.543 2.409 2.622 . 0 0 "[ . 1 . 2]" 1
281 1 28 THR HB 1 30 LYS H 3.240 . 3.340 2.787 2.534 3.151 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR HB 1 31 GLU H 3.730 . 3.830 3.712 3.507 3.816 . 0 0 "[ . 1 . 2]" 1
283 1 28 THR HB 1 62 THR HA 4.790 . 4.890 4.057 3.884 4.270 . 0 0 "[ . 1 . 2]" 1
284 1 28 THR HB 1 62 THR MG 6.520 . 6.620 3.964 3.688 4.234 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR MG 1 29 THR H 4.350 . 4.450 3.806 3.624 3.887 . 0 0 "[ . 1 . 2]" 1
286 1 28 THR MG 1 62 THR MG 4.810 . 4.910 2.644 2.355 3.154 . 0 0 "[ . 1 . 2]" 1
287 1 29 THR H 1 29 THR MG 4.130 . 4.230 2.334 2.212 2.428 . 0 0 "[ . 1 . 2]" 1
288 1 29 THR H 1 30 LYS H 2.960 . 3.060 2.691 2.569 2.847 . 0 0 "[ . 1 . 2]" 1
289 1 29 THR H 1 62 THR HA 2.990 . 3.090 2.823 2.608 3.098 0.008 16 0 "[ . 1 . 2]" 1
290 1 29 THR HA 1 30 LYS H 3.520 . 3.620 3.420 3.365 3.473 . 0 0 "[ . 1 . 2]" 1
291 1 29 THR HA 1 32 LEU QB 4.740 . 4.840 3.081 2.585 3.554 . 0 0 "[ . 1 . 2]" 1
292 1 29 THR HA 1 63 ILE MD 3.420 . 3.520 2.348 2.146 2.759 . 0 0 "[ . 1 . 2]" 1
293 1 29 THR HA 1 63 ILE QG 3.290 . 3.390 2.737 2.374 3.403 0.013 16 0 "[ . 1 . 2]" 1
294 1 29 THR HB 1 30 LYS H 3.890 . 3.990 3.604 3.349 3.837 . 0 0 "[ . 1 . 2]" 1
295 1 29 THR HB 1 32 LEU QB 6.380 . 6.480 4.449 3.965 4.831 . 0 0 "[ . 1 . 2]" 1
296 1 29 THR HB 1 52 ILE HB 5.500 . 5.600 4.548 4.328 5.072 . 0 0 "[ . 1 . 2]" 1
297 1 29 THR MG 1 52 ILE MG 6.950 . 7.050 2.701 2.104 3.203 . 0 0 "[ . 1 . 2]" 1
298 1 29 THR MG 1 61 GLY QA 3.910 . 4.010 2.621 2.350 2.958 . 0 0 "[ . 1 . 2]" 1
299 1 29 THR MG 1 62 THR HA 3.480 . 3.580 3.188 2.992 3.589 0.009 16 0 "[ . 1 . 2]" 1
300 1 29 THR MG 1 63 ILE QG 3.380 . 3.480 2.336 2.136 2.763 . 0 0 "[ . 1 . 2]" 1
301 1 30 LYS QB 1 31 GLU H 4.400 . 4.500 2.922 2.490 3.626 . 0 0 "[ . 1 . 2]" 1
302 1 30 LYS QB 1 31 GLU HA 5.140 . 5.240 4.047 3.650 4.552 . 0 0 "[ . 1 . 2]" 1
303 1 31 GLU H 1 32 LEU H 2.990 . 3.090 2.486 2.293 2.677 . 0 0 "[ . 1 . 2]" 1
304 1 31 GLU HA 1 34 THR H 4.290 . 4.390 3.108 2.886 3.356 . 0 0 "[ . 1 . 2]" 1
305 1 31 GLU QB 1 32 LEU H 3.200 . 3.300 3.205 3.030 3.301 0.001 2 0 "[ . 1 . 2]" 1
306 1 31 GLU QB 1 34 THR HB 5.050 . 5.150 4.293 3.504 4.838 . 0 0 "[ . 1 . 2]" 1
307 1 31 GLU QB 1 35 VAL QG 3.600 . 3.700 3.151 2.571 3.465 . 0 0 "[ . 1 . 2]" 1
308 1 32 LEU H 1 33 GLY H 4.450 . 4.550 2.768 2.680 2.899 . 0 0 "[ . 1 . 2]" 1
309 1 32 LEU HA 1 35 VAL H 3.640 . 3.740 3.471 3.155 3.737 . 0 0 "[ . 1 . 2]" 1
310 1 32 LEU HA 1 35 VAL MG1 5.190 . 5.290 4.299 3.889 4.754 . 0 0 "[ . 1 . 2]" 1
311 1 32 LEU HA 1 35 VAL QG 3.980 . 4.080 3.122 2.703 3.441 . 0 0 "[ . 1 . 2]" 1
312 1 32 LEU HA 1 35 VAL MG2 5.190 . 5.290 3.214 2.743 3.531 . 0 0 "[ . 1 . 2]" 1
313 1 32 LEU QB 1 33 GLY H 4.710 . 4.810 2.548 2.447 2.685 . 0 0 "[ . 1 . 2]" 1
314 1 32 LEU QB 1 48 LEU QD 8.480 . 8.580 2.898 2.324 3.541 . 0 0 "[ . 1 . 2]" 1
315 1 32 LEU QB 1 52 ILE MD 7.400 . 7.500 3.752 3.069 4.982 . 0 0 "[ . 1 . 2]" 1
316 1 32 LEU QB 1 63 ILE MD 5.940 . 6.040 2.264 2.135 2.547 . 0 0 "[ . 1 . 2]" 1
317 1 32 LEU QB 1 63 ILE QG 3.990 . 4.090 4.120 3.949 4.213 0.123 1 0 "[ . 1 . 2]" 1
318 1 32 LEU QD 1 35 VAL HB 6.300 . 6.400 3.373 2.644 3.956 . 0 0 "[ . 1 . 2]" 1
319 1 32 LEU QD 1 35 VAL QG 5.590 . 5.690 3.406 2.876 3.903 . 0 0 "[ . 1 . 2]" 1
320 1 32 LEU QD 1 63 ILE HB 5.710 . 5.810 3.711 3.359 4.199 . 0 0 "[ . 1 . 2]" 1
321 1 32 LEU QD 1 63 ILE MD 6.000 . 6.100 2.130 1.933 2.918 . 0 0 "[ . 1 . 2]" 1
322 1 32 LEU QD 1 63 ILE QG 5.530 . 5.630 3.768 3.562 4.474 . 0 0 "[ . 1 . 2]" 1
323 1 32 LEU QD 1 68 PHE QE 7.350 . 7.450 2.555 2.155 4.086 . 0 0 "[ . 1 . 2]" 1
324 1 33 GLY H 1 34 THR H 3.790 . 3.890 2.668 2.616 2.734 . 0 0 "[ . 1 . 2]" 1
325 1 33 GLY H 1 48 LEU QD 5.830 . 5.930 2.883 2.274 3.672 . 0 0 "[ . 1 . 2]" 1
326 1 33 GLY QA 1 36 MET H 5.170 . 5.270 3.581 3.434 3.810 . 0 0 "[ . 1 . 2]" 1
327 1 33 GLY QA 1 36 MET QB 3.810 . 3.910 3.043 2.754 3.389 . 0 0 "[ . 1 . 2]" 1
328 1 33 GLY QA 1 36 MET QG 5.180 . 5.280 3.971 3.071 4.953 . 0 0 "[ . 1 . 2]" 1
329 1 33 GLY QA 1 43 PRO QG 4.660 . 4.760 3.349 2.392 4.451 . 0 0 "[ . 1 . 2]" 1
330 1 33 GLY QA 1 48 LEU QD 4.290 . 4.390 2.230 1.960 2.849 . 0 0 "[ . 1 . 2]" 1
331 1 33 GLY HA2 1 48 LEU QD 4.930 . 5.030 2.513 2.126 3.371 . 0 0 "[ . 1 . 2]" 1
332 1 33 GLY HA3 1 48 LEU QD 4.930 . 5.030 2.538 2.175 3.279 . 0 0 "[ . 1 . 2]" 1
333 1 34 THR H 1 35 VAL H 2.930 . 3.030 2.592 2.433 2.687 . 0 0 "[ . 1 . 2]" 1
334 1 34 THR HA 1 37 ARG H 4.140 . 4.240 3.373 3.190 3.647 . 0 0 "[ . 1 . 2]" 1
335 1 34 THR HA 1 37 ARG QB 3.530 . 3.630 2.653 2.427 2.892 . 0 0 "[ . 1 . 2]" 1
336 1 34 THR HB 1 35 VAL H 2.860 . 2.960 2.850 2.716 2.959 . 0 0 "[ . 1 . 2]" 1
337 1 34 THR HB 1 35 VAL HA 5.500 . 5.600 3.948 3.849 4.053 . 0 0 "[ . 1 . 2]" 1
338 1 34 THR HB 1 35 VAL QG 4.540 . 4.640 3.508 3.301 3.664 . 0 0 "[ . 1 . 2]" 1
339 1 34 THR MG 1 35 VAL H 4.880 . 4.980 4.116 4.026 4.195 . 0 0 "[ . 1 . 2]" 1
340 1 35 VAL H 1 36 MET H 3.110 . 3.210 2.711 2.620 2.778 . 0 0 "[ . 1 . 2]" 1
341 1 35 VAL HA 1 38 SER H 3.700 . 3.800 3.391 3.170 3.528 . 0 0 "[ . 1 . 2]" 1
342 1 35 VAL HA 1 38 SER QB 3.930 . 4.030 3.055 2.774 3.662 . 0 0 "[ . 1 . 2]" 1
343 1 35 VAL HB 1 36 MET H 2.860 . 2.960 2.585 2.480 2.678 . 0 0 "[ . 1 . 2]" 1
344 1 35 VAL HB 1 68 PHE QD 7.630 . 7.730 4.611 3.884 5.290 . 0 0 "[ . 1 . 2]" 1
345 1 35 VAL QG 1 68 PHE QE 6.720 . 6.820 2.673 2.284 3.315 . 0 0 "[ . 1 . 2]" 1
346 1 35 VAL QG 1 68 PHE HZ 3.890 . 3.990 2.678 2.304 3.409 . 0 0 "[ . 1 . 2]" 1
347 1 36 MET HA 1 36 MET QG 3.010 . 3.110 2.521 2.112 2.958 . 0 0 "[ . 1 . 2]" 1
348 1 36 MET HA 1 39 LEU QB 5.050 . 5.150 3.202 2.677 4.001 . 0 0 "[ . 1 . 2]" 1
349 1 36 MET HA 1 39 LEU QD 5.890 . 5.990 2.536 2.214 3.795 . 0 0 "[ . 1 . 2]" 1
350 1 36 MET QB 1 37 ARG H 2.600 . 2.700 2.606 2.453 2.727 0.027 6 0 "[ . 1 . 2]" 1
351 1 36 MET QB 1 37 ARG QB 5.590 . 5.690 4.015 3.784 4.398 . 0 0 "[ . 1 . 2]" 1
352 1 36 MET QB 1 43 PRO QD 3.030 . 3.130 2.484 2.085 3.014 . 0 0 "[ . 1 . 2]" 1
353 1 36 MET ME 1 51 MET ME 4.440 . 4.540 3.309 2.120 4.629 0.089 14 0 "[ . 1 . 2]" 1
354 1 36 MET ME 1 68 PHE QD 8.180 . 8.280 4.796 2.456 6.353 . 0 0 "[ . 1 . 2]" 1
355 1 36 MET ME 1 68 PHE QE 7.690 . 7.790 3.765 2.470 5.005 . 0 0 "[ . 1 . 2]" 1
356 1 36 MET ME 1 68 PHE HZ 6.520 . 6.620 4.367 2.801 5.889 . 0 0 "[ . 1 . 2]" 1
357 1 36 MET ME 1 72 MET ME 5.120 . 5.220 2.781 1.950 4.144 . 0 0 "[ . 1 . 2]" 1
358 1 36 MET ME 1 72 MET QG 5.740 . 5.840 4.147 2.189 4.837 . 0 0 "[ . 1 . 2]" 1
359 1 36 MET QG 1 37 ARG H 4.470 . 4.570 4.033 3.563 4.480 . 0 0 "[ . 1 . 2]" 1
360 1 36 MET QG 1 68 PHE QE 5.690 . 5.790 3.818 2.472 5.095 . 0 0 "[ . 1 . 2]" 1
361 1 37 ARG H 1 38 SER H 2.990 . 3.090 2.695 2.591 2.815 . 0 0 "[ . 1 . 2]" 1
362 1 37 ARG HA 1 40 GLY H 4.660 . 4.760 3.491 3.115 3.819 . 0 0 "[ . 1 . 2]" 1
363 1 37 ARG HA 1 41 GLN H 3.860 . 3.960 3.412 3.013 3.917 . 0 0 "[ . 1 . 2]" 1
364 1 37 ARG HA 1 43 PRO HD2 5.500 . 5.600 4.942 4.160 5.588 . 0 0 "[ . 1 . 2]" 1
365 1 37 ARG HA 1 43 PRO HD3 5.500 . 5.600 4.786 3.870 5.657 0.057 3 0 "[ . 1 . 2]" 1
366 1 37 ARG QB 1 38 SER H 4.670 . 4.770 2.853 2.634 3.207 . 0 0 "[ . 1 . 2]" 1
367 1 37 ARG QB 1 38 SER HA 5.080 . 5.180 4.053 3.922 4.150 . 0 0 "[ . 1 . 2]" 1
368 1 38 SER H 1 39 LEU H 3.050 . 3.150 2.547 2.394 2.648 . 0 0 "[ . 1 . 2]" 1
369 1 38 SER QB 1 39 LEU H 4.430 . 4.530 3.073 2.762 3.765 . 0 0 "[ . 1 . 2]" 1
370 1 39 LEU H 1 40 GLY H 3.300 . 3.400 2.489 2.358 2.692 . 0 0 "[ . 1 . 2]" 1
371 1 39 LEU QB 1 40 GLY H 4.150 . 4.250 3.376 3.216 3.557 . 0 0 "[ . 1 . 2]" 1
372 1 39 LEU QB 1 41 GLN H 4.180 . 4.280 3.040 2.678 3.407 . 0 0 "[ . 1 . 2]" 1
373 1 39 LEU QD 1 68 PHE QE 9.730 . 9.830 3.266 2.527 4.544 . 0 0 "[ . 1 . 2]" 1
374 1 40 GLY QA 1 41 GLN HA 5.110 . 5.210 3.951 3.912 3.998 . 0 0 "[ . 1 . 2]" 1
375 1 41 GLN HA 1 42 ASN H 2.620 . 2.720 2.210 2.168 2.263 . 0 0 "[ . 1 . 2]" 1
376 1 41 GLN HA 1 42 ASN HA 5.500 . 5.600 4.308 4.269 4.351 . 0 0 "[ . 1 . 2]" 1
377 1 41 GLN QB 1 42 ASN H 4.180 . 4.280 3.703 3.595 3.785 . 0 0 "[ . 1 . 2]" 1
378 1 41 GLN QG 1 42 ASN H 3.530 . 3.630 2.919 2.598 3.432 . 0 0 "[ . 1 . 2]" 1
379 1 42 ASN HA 1 42 ASN HB2 2.680 . 2.780 2.394 2.286 2.462 . 0 0 "[ . 1 . 2]" 1
380 1 42 ASN HA 1 42 ASN HB3 2.680 . 2.780 2.363 2.306 2.460 . 0 0 "[ . 1 . 2]" 1
381 1 42 ASN HA 1 43 PRO HD2 2.770 . 2.870 2.420 2.221 2.818 . 0 0 "[ . 1 . 2]" 1
382 1 42 ASN HA 1 43 PRO QD 2.280 . 2.380 2.208 2.092 2.310 . 0 0 "[ . 1 . 2]" 1
383 1 42 ASN HA 1 43 PRO HD3 2.770 . 2.870 2.609 2.402 2.839 . 0 0 "[ . 1 . 2]" 1
384 1 42 ASN HA 1 43 PRO QG 5.550 . 5.650 4.069 3.942 4.182 . 0 0 "[ . 1 . 2]" 1
385 1 43 PRO QB 1 44 THR HA 5.340 . 5.440 4.466 4.407 4.555 . 0 0 "[ . 1 . 2]" 1
386 1 43 PRO QB 1 48 LEU QB 4.590 . 4.690 3.428 2.378 4.409 . 0 0 "[ . 1 . 2]" 1
387 1 43 PRO QB 1 48 LEU QD 6.200 . 6.300 3.423 2.494 4.288 . 0 0 "[ . 1 . 2]" 1
388 1 43 PRO QB 1 51 MET ME 5.830 . 5.930 3.414 2.388 5.826 . 0 0 "[ . 1 . 2]" 1
389 1 43 PRO QG 1 48 LEU QD 6.560 . 6.660 2.416 2.004 2.884 . 0 0 "[ . 1 . 2]" 1
390 1 44 THR H 1 44 THR HB 3.790 . 3.890 3.373 2.818 3.635 . 0 0 "[ . 1 . 2]" 1
391 1 44 THR H 1 44 THR MG 3.420 . 3.520 2.096 1.713 2.803 . 0 0 "[ . 1 . 2]" 1
392 1 44 THR HA 1 44 THR HB 2.590 . 2.690 2.358 2.195 2.546 . 0 0 "[ . 1 . 2]" 1
393 1 44 THR HA 1 45 GLU H 2.620 . 2.720 2.419 2.317 2.514 . 0 0 "[ . 1 . 2]" 1
394 1 44 THR MG 1 45 GLU H 4.630 . 4.730 3.935 3.558 4.394 . 0 0 "[ . 1 . 2]" 1
395 1 45 GLU H 1 46 ALA H 2.930 . 3.030 2.677 2.544 2.813 . 0 0 "[ . 1 . 2]" 1
396 1 45 GLU QB 1 46 ALA H 3.780 . 3.880 2.912 2.656 3.642 . 0 0 "[ . 1 . 2]" 1
397 1 46 ALA H 1 47 GLU H 3.640 . 3.740 2.695 2.565 2.881 . 0 0 "[ . 1 . 2]" 1
398 1 46 ALA HA 1 49 GLN QB 4.020 . 4.120 3.023 2.493 3.413 . 0 0 "[ . 1 . 2]" 1
399 1 46 ALA MB 1 47 GLU H 4.500 . 4.600 2.456 2.160 2.591 . 0 0 "[ . 1 . 2]" 1
400 1 46 ALA MB 1 47 GLU HA 5.190 . 5.290 3.796 3.714 3.864 . 0 0 "[ . 1 . 2]" 1
401 1 48 LEU HA 1 51 MET QG 5.480 . 5.580 3.771 3.038 4.173 . 0 0 "[ . 1 . 2]" 1
402 1 48 LEU QB 1 49 GLN H 2.900 . 3.000 2.554 2.441 2.671 . 0 0 "[ . 1 . 2]" 1
403 1 48 LEU QB 1 49 GLN HA 4.530 . 4.630 4.008 3.693 4.128 . 0 0 "[ . 1 . 2]" 1
404 1 49 GLN H 1 50 ASP H 3.240 . 3.340 2.688 2.559 2.903 . 0 0 "[ . 1 . 2]" 1
405 1 49 GLN H 1 52 ILE MD 5.440 . 5.540 4.398 4.064 4.818 . 0 0 "[ . 1 . 2]" 1
406 1 49 GLN HA 1 52 ILE H 5.070 . 5.170 3.470 3.165 3.855 . 0 0 "[ . 1 . 2]" 1
407 1 49 GLN HA 1 52 ILE HB 3.950 . 4.050 2.915 2.409 3.684 . 0 0 "[ . 1 . 2]" 1
408 1 49 GLN HA 1 52 ILE MD 3.670 . 3.770 2.711 2.353 3.198 . 0 0 "[ . 1 . 2]" 1
409 1 49 GLN HA 1 52 ILE MG 6.520 . 6.620 4.185 3.724 4.844 . 0 0 "[ . 1 . 2]" 1
410 1 49 GLN QB 1 50 ASP H 3.900 . 4.000 2.547 2.360 2.687 . 0 0 "[ . 1 . 2]" 1
411 1 49 GLN QB 1 50 ASP HA 6.380 . 6.480 3.993 3.819 4.130 . 0 0 "[ . 1 . 2]" 1
412 1 49 GLN QG 1 53 ILE H 6.380 . 6.480 4.614 3.989 6.211 . 0 0 "[ . 1 . 2]" 1
413 1 50 ASP HA 1 53 ILE H 4.570 . 4.670 3.344 2.987 3.607 . 0 0 "[ . 1 . 2]" 1
414 1 50 ASP HA 1 53 ILE HB 3.580 . 3.680 2.934 2.528 3.452 . 0 0 "[ . 1 . 2]" 1
415 1 50 ASP HA 1 53 ILE QG 3.680 . 3.780 3.256 2.416 3.757 . 0 0 "[ . 1 . 2]" 1
416 1 50 ASP QB 1 51 MET H 3.730 . 3.830 2.611 2.429 2.817 . 0 0 "[ . 1 . 2]" 1
417 1 51 MET H 1 52 ILE HB 5.340 . 5.440 4.822 4.663 5.053 . 0 0 "[ . 1 . 2]" 1
418 1 51 MET H 1 52 ILE MG 6.520 . 6.620 5.900 5.776 6.046 . 0 0 "[ . 1 . 2]" 1
419 1 51 MET HA 1 52 ILE H 3.520 . 3.620 3.436 3.403 3.461 . 0 0 "[ . 1 . 2]" 1
420 1 51 MET HA 1 54 GLU H 4.570 . 4.670 3.659 3.336 4.132 . 0 0 "[ . 1 . 2]" 1
421 1 51 MET HA 1 54 GLU QG 3.280 . 3.380 3.115 2.444 3.504 0.124 18 0 "[ . 1 . 2]" 1
422 1 51 MET HA 1 71 MET ME 3.700 . 3.800 3.374 2.734 3.897 0.097 4 0 "[ . 1 . 2]" 1
423 1 51 MET QB 1 52 ILE H 2.890 . 2.990 2.735 2.607 2.875 . 0 0 "[ . 1 . 2]" 1
424 1 51 MET QB 1 71 MET ME 3.400 . 3.500 2.513 2.257 2.750 . 0 0 "[ . 1 . 2]" 1
425 1 51 MET HB2 1 52 ILE H 3.580 . 3.680 2.832 2.672 3.011 . 0 0 "[ . 1 . 2]" 1
426 1 51 MET HB2 1 71 MET ME 3.950 . 4.050 3.850 3.367 4.052 0.002 7 0 "[ . 1 . 2]" 1
427 1 51 MET HB3 1 52 ILE H 3.580 . 3.680 3.620 3.532 3.652 . 0 0 "[ . 1 . 2]" 1
428 1 51 MET HB3 1 71 MET ME 3.950 . 4.050 2.548 2.282 2.798 . 0 0 "[ . 1 . 2]" 1
429 1 51 MET QG 1 52 ILE H 6.200 . 6.300 4.171 3.992 4.315 . 0 0 "[ . 1 . 2]" 1
430 1 52 ILE H 1 52 ILE MD 4.630 . 4.730 3.563 3.378 3.699 . 0 0 "[ . 1 . 2]" 1
431 1 52 ILE H 1 52 ILE MG 4.160 . 4.260 3.766 3.732 3.795 . 0 0 "[ . 1 . 2]" 1
432 1 52 ILE HA 1 55 VAL H 5.280 . 5.380 3.577 3.256 3.880 . 0 0 "[ . 1 . 2]" 1
433 1 52 ILE HA 1 63 ILE MD 4.940 . 5.040 3.636 2.994 4.310 . 0 0 "[ . 1 . 2]" 1
434 1 52 ILE MG 1 53 ILE H 5.060 . 5.160 3.400 3.110 3.705 . 0 0 "[ . 1 . 2]" 1
435 1 52 ILE MG 1 53 ILE HA 3.980 . 4.080 3.315 3.032 3.600 . 0 0 "[ . 1 . 2]" 1
436 1 52 ILE MG 1 53 ILE HB 6.520 . 6.620 5.100 4.728 5.520 . 0 0 "[ . 1 . 2]" 1
437 1 52 ILE MG 1 56 ASP H 5.030 . 5.130 3.635 3.336 3.859 . 0 0 "[ . 1 . 2]" 1
438 1 52 ILE MG 1 56 ASP QB 5.310 . 5.410 2.974 2.245 3.613 . 0 0 "[ . 1 . 2]" 1
439 1 53 ILE H 1 54 GLU H 3.270 . 3.370 2.770 2.650 2.897 . 0 0 "[ . 1 . 2]" 1
440 1 53 ILE HA 1 56 ASP QB 4.580 . 4.680 2.721 2.258 4.727 0.047 1 0 "[ . 1 . 2]" 1
441 1 53 ILE HB 1 54 GLU H 3.170 . 3.270 2.868 2.733 3.050 . 0 0 "[ . 1 . 2]" 1
442 1 53 ILE HB 1 54 GLU HA 5.500 . 5.600 4.420 4.143 4.618 . 0 0 "[ . 1 . 2]" 1
443 1 54 GLU H 1 55 VAL QG 6.360 . 6.460 3.993 3.744 4.247 . 0 0 "[ . 1 . 2]" 1
444 1 54 GLU HA 1 55 VAL H 3.480 . 3.580 3.401 3.264 3.465 . 0 0 "[ . 1 . 2]" 1
445 1 54 GLU QB 1 55 VAL H 4.920 . 5.020 2.978 2.605 3.833 . 0 0 "[ . 1 . 2]" 1
446 1 54 GLU QB 1 55 VAL HA 6.040 . 6.140 4.054 3.768 4.529 . 0 0 "[ . 1 . 2]" 1
447 1 54 GLU QG 1 55 VAL H 6.070 . 6.170 3.949 2.580 4.633 . 0 0 "[ . 1 . 2]" 1
448 1 55 VAL H 1 55 VAL HB 3.140 . 3.240 2.589 2.440 3.067 . 0 0 "[ . 1 . 2]" 1
449 1 55 VAL H 1 56 ASP H 2.770 . 2.870 2.250 2.012 2.420 . 0 0 "[ . 1 . 2]" 1
450 1 55 VAL HB 1 56 ASP H 3.300 . 3.400 2.810 2.612 3.394 . 0 0 "[ . 1 . 2]" 1
451 1 55 VAL HB 1 63 ILE MD 4.040 . 4.140 3.812 3.368 4.204 0.064 7 0 "[ . 1 . 2]" 1
452 1 55 VAL QG 1 56 ASP H 6.670 . 6.770 3.338 3.247 3.473 . 0 0 "[ . 1 . 2]" 1
453 1 55 VAL QG 1 57 ALA H 7.600 . 7.700 4.363 4.166 4.949 . 0 0 "[ . 1 . 2]" 1
454 1 55 VAL QG 1 59 GLY H 7.320 . 7.420 4.596 3.746 6.545 . 0 0 "[ . 1 . 2]" 1
455 1 55 VAL QG 1 63 ILE QG 3.710 . 3.810 2.169 1.974 2.889 . 0 0 "[ . 1 . 2]" 1
456 1 56 ASP QB 1 57 ALA H 4.120 . 4.220 3.173 2.704 3.980 . 0 0 "[ . 1 . 2]" 1
457 1 56 ASP HB2 1 57 ALA H 4.720 . 4.820 3.560 3.098 4.571 . 0 0 "[ . 1 . 2]" 1
458 1 56 ASP HB3 1 57 ALA H 4.720 . 4.820 3.705 2.774 4.379 . 0 0 "[ . 1 . 2]" 1
459 1 57 ALA MB 1 58 ASP H 4.160 . 4.260 2.739 2.574 3.064 . 0 0 "[ . 1 . 2]" 1
460 1 58 ASP H 1 58 ASP HB2 2.770 . 2.870 2.504 2.302 2.682 . 0 0 "[ . 1 . 2]" 1
461 1 58 ASP H 1 58 ASP HB3 2.860 . 2.960 2.610 2.426 2.788 . 0 0 "[ . 1 . 2]" 1
462 1 58 ASP H 1 59 GLY H 2.770 . 2.870 2.260 2.061 2.545 . 0 0 "[ . 1 . 2]" 1
463 1 58 ASP HB2 1 59 GLY H 3.790 . 3.890 3.824 3.698 3.870 . 0 0 "[ . 1 . 2]" 1
464 1 58 ASP HB3 1 59 GLY H 3.450 . 3.550 2.923 2.769 3.189 . 0 0 "[ . 1 . 2]" 1
465 1 59 GLY H 1 60 ASN H 2.930 . 3.030 2.581 2.367 2.879 . 0 0 "[ . 1 . 2]" 1
466 1 60 ASN H 1 61 GLY H 3.050 . 3.150 2.513 1.952 2.744 . 0 0 "[ . 1 . 2]" 1
467 1 60 ASN QB 1 61 GLY H 5.020 . 5.120 3.027 2.664 3.602 . 0 0 "[ . 1 . 2]" 1
468 1 60 ASN QB 1 62 THR H 4.460 . 4.560 2.867 2.360 3.318 . 0 0 "[ . 1 . 2]" 1
469 1 61 GLY H 1 62 THR H 2.900 . 3.000 2.713 2.377 3.002 0.002 17 0 "[ . 1 . 2]" 1
470 1 62 THR H 1 62 THR MG 3.910 . 4.010 2.989 2.904 3.084 . 0 0 "[ . 1 . 2]" 1
471 1 62 THR HA 1 63 ILE H 2.590 . 2.690 2.390 2.305 2.500 . 0 0 "[ . 1 . 2]" 1
472 1 62 THR HB 1 63 ILE H 2.930 . 3.030 2.567 2.358 2.810 . 0 0 "[ . 1 . 2]" 1
473 1 62 THR MG 1 63 ILE H 5.740 . 5.840 3.665 3.569 3.755 . 0 0 "[ . 1 . 2]" 1
474 1 63 ILE HA 1 64 ASP H 2.430 . 2.530 2.262 2.171 2.343 . 0 0 "[ . 1 . 2]" 1
475 1 63 ILE HB 1 64 ASP H 4.910 . 5.010 4.228 4.164 4.338 . 0 0 "[ . 1 . 2]" 1
476 1 63 ILE QG 1 64 ASP H 4.330 . 4.430 4.298 4.211 4.401 . 0 0 "[ . 1 . 2]" 1
477 1 63 ILE QG 1 67 GLU QB 4.510 . 4.610 4.234 3.584 4.603 . 0 0 "[ . 1 . 2]" 1
478 1 63 ILE QG 1 68 PHE QB 6.160 . 6.260 5.358 5.070 5.710 . 0 0 "[ . 1 . 2]" 1
479 1 63 ILE MG 1 68 PHE H 5.680 . 5.780 2.802 2.643 3.038 . 0 0 "[ . 1 . 2]" 1
480 1 63 ILE MG 1 68 PHE QD 7.560 . 7.660 3.497 2.963 4.019 . 0 0 "[ . 1 . 2]" 1
481 1 64 ASP H 1 64 ASP QB 3.680 . 3.780 2.657 2.533 2.807 . 0 0 "[ . 1 . 2]" 1
482 1 64 ASP H 1 67 GLU QB 3.170 . 3.270 2.729 2.466 3.185 . 0 0 "[ . 1 . 2]" 1
483 1 64 ASP HA 1 65 PHE H 3.450 . 3.550 2.539 2.431 2.627 . 0 0 "[ . 1 . 2]" 1
484 1 64 ASP HA 1 66 PRO QD 5.950 . 6.050 3.989 3.896 4.089 . 0 0 "[ . 1 . 2]" 1
485 1 64 ASP QB 1 65 PHE H 2.560 . 2.660 2.316 2.104 2.632 . 0 0 "[ . 1 . 2]" 1
486 1 64 ASP QB 1 66 PRO QD 6.000 . 6.100 2.107 2.056 2.207 . 0 0 "[ . 1 . 2]" 1
487 1 64 ASP QB 1 66 PRO QG 3.990 . 4.090 2.898 2.693 3.709 . 0 0 "[ . 1 . 2]" 1
488 1 64 ASP QB 1 67 GLU H 3.500 . 3.600 2.834 2.608 3.445 . 0 0 "[ . 1 . 2]" 1
489 1 64 ASP HB2 1 65 PHE H 3.020 . 3.120 3.137 3.097 3.198 0.078 1 0 "[ . 1 . 2]" 1
490 1 64 ASP HB3 1 65 PHE H 3.020 . 3.120 2.400 2.138 2.839 . 0 0 "[ . 1 . 2]" 1
491 1 65 PHE HA 1 68 PHE H 4.720 . 4.820 3.288 3.143 3.538 . 0 0 "[ . 1 . 2]" 1
492 1 65 PHE HA 1 68 PHE QB 4.020 . 4.120 2.574 2.404 2.801 . 0 0 "[ . 1 . 2]" 1
493 1 65 PHE QB 1 66 PRO QD 7.270 . 7.370 2.443 2.203 2.565 . 0 0 "[ . 1 . 2]" 1
494 1 65 PHE QD 1 66 PRO HA 7.630 . 7.730 4.188 3.955 4.430 . 0 0 "[ . 1 . 2]" 1
495 1 65 PHE QD 1 68 PHE QB 8.510 . 8.610 3.244 2.854 3.622 . 0 0 "[ . 1 . 2]" 1
496 1 65 PHE QD 1 68 PHE QD 6.660 . 6.760 3.361 2.594 4.324 . 0 0 "[ . 1 . 2]" 1
497 1 65 PHE QE 1 69 LEU QD 8.440 . 8.540 2.575 2.370 2.937 . 0 0 "[ . 1 . 2]" 1
498 1 65 PHE HZ 1 69 LEU QD 3.410 . 3.510 2.660 2.385 3.115 . 0 0 "[ . 1 . 2]" 1
499 1 66 PRO HA 1 69 LEU H 5.100 . 5.200 3.205 3.068 3.443 . 0 0 "[ . 1 . 2]" 1
500 1 66 PRO HA 1 69 LEU QB 3.990 . 4.090 2.761 2.408 3.290 . 0 0 "[ . 1 . 2]" 1
501 1 66 PRO HA 1 69 LEU HG 5.500 . 5.600 3.490 3.188 4.766 . 0 0 "[ . 1 . 2]" 1
502 1 66 PRO QB 1 67 GLU QG 5.590 . 5.690 4.017 3.368 4.888 . 0 0 "[ . 1 . 2]" 1
503 1 67 GLU H 1 68 PHE H 2.830 . 2.930 2.502 2.445 2.553 . 0 0 "[ . 1 . 2]" 1
504 1 67 GLU HA 1 70 THR H 4.660 . 4.760 3.071 2.650 3.256 . 0 0 "[ . 1 . 2]" 1
505 1 67 GLU HA 1 70 THR HB 3.360 . 3.460 2.604 2.319 3.548 0.088 19 0 "[ . 1 . 2]" 1
506 1 67 GLU QB 1 68 PHE H 3.460 . 3.560 2.674 2.436 2.979 . 0 0 "[ . 1 . 2]" 1
507 1 67 GLU QB 1 68 PHE HA 4.910 . 5.010 3.972 3.885 4.166 . 0 0 "[ . 1 . 2]" 1
508 1 67 GLU HB2 1 68 PHE H 4.170 . 4.270 2.750 2.482 3.088 . 0 0 "[ . 1 . 2]" 1
509 1 67 GLU HB3 1 68 PHE H 4.170 . 4.270 3.691 3.418 3.915 . 0 0 "[ . 1 . 2]" 1
510 1 68 PHE HA 1 71 MET ME 4.530 . 4.630 4.175 3.139 4.764 0.134 11 0 "[ . 1 . 2]" 1
511 1 68 PHE QB 1 69 LEU H 4.210 . 4.310 2.588 2.489 2.831 . 0 0 "[ . 1 . 2]" 1
512 1 68 PHE QD 1 69 LEU H 6.920 . 7.020 3.354 2.965 3.811 . 0 0 "[ . 1 . 2]" 1
513 1 68 PHE QD 1 72 MET ME 6.850 . 6.950 3.319 2.541 4.151 . 0 0 "[ . 1 . 2]" 1
514 1 68 PHE QE 1 72 MET QG 6.580 . 6.680 3.722 2.729 4.873 . 0 0 "[ . 1 . 2]" 1
515 1 69 LEU H 1 70 THR H 3.330 . 3.430 2.616 2.453 2.740 . 0 0 "[ . 1 . 2]" 1
516 1 69 LEU HA 1 72 MET H 3.760 . 3.860 3.419 3.181 3.821 . 0 0 "[ . 1 . 2]" 1
517 1 69 LEU HA 1 72 MET QB 5.140 . 5.240 3.206 2.839 3.857 . 0 0 "[ . 1 . 2]" 1
518 1 69 LEU HA 1 72 MET HG2 5.500 . 5.600 3.417 2.394 5.244 . 0 0 "[ . 1 . 2]" 1
519 1 69 LEU HA 1 72 MET QG 4.640 . 4.740 2.942 2.332 3.736 . 0 0 "[ . 1 . 2]" 1
520 1 69 LEU HA 1 72 MET HG3 5.500 . 5.600 3.438 2.955 4.101 . 0 0 "[ . 1 . 2]" 1
521 1 69 LEU QB 1 70 THR H 3.570 . 3.670 2.651 2.536 2.784 . 0 0 "[ . 1 . 2]" 1
522 1 70 THR MG 1 71 MET H 4.750 . 4.850 3.598 2.660 3.771 . 0 0 "[ . 1 . 2]" 1
523 1 70 THR MG 1 71 MET HA 4.160 . 4.260 3.711 3.339 3.863 . 0 0 "[ . 1 . 2]" 1
524 1 71 MET HA 1 74 ARG H 4.790 . 4.890 3.582 3.212 4.664 . 0 0 "[ . 1 . 2]" 1
525 1 72 MET H 1 72 MET ME 4.290 . 4.390 3.526 2.831 4.292 . 0 0 "[ . 1 . 2]" 1
526 1 72 MET H 1 72 MET HG2 3.980 . 4.080 2.471 2.092 3.461 . 0 0 "[ . 1 . 2]" 1
527 1 72 MET H 1 72 MET QG 3.100 . 3.200 2.244 2.058 2.400 . 0 0 "[ . 1 . 2]" 1
528 1 72 MET H 1 72 MET HG3 3.980 . 4.080 3.348 2.081 3.719 . 0 0 "[ . 1 . 2]" 1
529 1 72 MET HA 1 72 MET QG 3.480 . 3.580 2.781 2.264 3.063 . 0 0 "[ . 1 . 2]" 1
530 1 73 ALA H 1 74 ARG H 3.110 . 3.210 2.664 2.535 2.836 . 0 0 "[ . 1 . 2]" 1
531 1 73 ALA HA 1 76 MET HB2 3.860 . 3.960 2.783 2.218 3.846 . 0 0 "[ . 1 . 2]" 1
532 1 73 ALA HA 1 76 MET QB 3.330 . 3.430 2.630 2.199 3.357 . 0 0 "[ . 1 . 2]" 1
533 1 73 ALA HA 1 76 MET HB3 3.860 . 3.960 3.523 2.345 4.046 0.086 18 0 "[ . 1 . 2]" 1
534 1 73 ALA MB 1 74 ARG H 4.160 . 4.260 2.850 2.541 3.294 . 0 0 "[ . 1 . 2]" 1
535 1 73 ALA MB 1 74 ARG HA 4.440 . 4.540 3.897 3.754 4.068 . 0 0 "[ . 1 . 2]" 1
536 1 74 ARG QB 1 75 LYS H 3.990 . 4.090 2.685 2.302 3.483 . 0 0 "[ . 1 . 2]" 1
537 1 75 LYS QG 1 76 MET H 5.610 . 5.710 4.169 3.220 4.824 . 0 0 "[ . 1 . 2]" 1
538 1 76 MET HB2 1 77 LYS H 3.980 . 4.080 3.862 3.331 4.075 . 0 0 "[ . 1 . 2]" 1
539 1 76 MET HB3 1 77 LYS H 3.980 . 4.080 3.432 2.545 4.098 0.018 9 0 "[ . 1 . 2]" 1
540 1 77 LYS H 1 78 ASP H 4.970 . 5.070 3.787 2.223 4.655 . 0 0 "[ . 1 . 2]" 1
541 1 77 LYS QB 1 78 ASP H 5.360 . 5.460 3.184 1.664 3.995 . 0 0 "[ . 1 . 2]" 1
542 1 78 ASP HA 1 79 THR H 3.020 . 3.120 2.448 2.196 3.070 . 0 0 "[ . 1 . 2]" 1
543 1 80 ASP QB 1 81 SER H 5.610 . 5.710 2.981 2.084 3.567 . 0 0 "[ . 1 . 2]" 1
544 1 81 SER QB 1 82 GLU H 4.360 . 4.460 2.763 1.976 3.744 . 0 0 "[ . 1 . 2]" 1
545 1 82 GLU HA 1 85 ILE QG 4.560 . 4.660 3.885 2.801 4.590 . 0 0 "[ . 1 . 2]" 1
546 1 82 GLU HA 1 86 ARG H 5.410 . 5.510 4.701 4.135 5.542 0.032 2 0 "[ . 1 . 2]" 1
547 1 82 GLU QB 1 83 GLU H 2.660 . 2.760 2.601 2.220 2.808 0.048 10 0 "[ . 1 . 2]" 1
548 1 83 GLU HA 1 86 ARG H 4.660 . 4.760 3.195 2.776 3.812 . 0 0 "[ . 1 . 2]" 1
549 1 83 GLU HA 1 87 GLU H 5.130 . 5.230 3.963 3.397 4.283 . 0 0 "[ . 1 . 2]" 1
550 1 84 GLU HA 1 87 GLU QB 3.500 . 3.600 2.978 2.182 3.606 0.006 5 0 "[ . 1 . 2]" 1
551 1 84 GLU QB 1 85 ILE H 3.990 . 4.090 2.612 2.274 3.518 . 0 0 "[ . 1 . 2]" 1
552 1 84 GLU QB 1 85 ILE QG 5.320 . 5.420 3.270 2.901 4.530 . 0 0 "[ . 1 . 2]" 1
553 1 85 ILE H 1 86 ARG H 2.930 . 3.030 2.555 2.316 2.749 . 0 0 "[ . 1 . 2]" 1
554 1 85 ILE HA 1 85 ILE QG 3.220 . 3.320 2.643 2.359 2.987 . 0 0 "[ . 1 . 2]" 1
555 1 85 ILE HB 1 86 ARG H 3.170 . 3.270 2.666 2.553 2.814 . 0 0 "[ . 1 . 2]" 1
556 1 85 ILE HB 1 142 VAL QG 3.670 . 3.770 3.222 2.257 3.901 0.131 6 0 "[ . 1 . 2]" 1
557 1 85 ILE QG 1 86 ARG H 5.340 . 5.440 3.900 3.738 4.201 . 0 0 "[ . 1 . 2]" 1
558 1 85 ILE MG 1 86 ARG H 4.600 . 4.700 3.600 3.379 3.799 . 0 0 "[ . 1 . 2]" 1
559 1 85 ILE MG 1 86 ARG HA 5.060 . 5.160 3.618 3.340 3.828 . 0 0 "[ . 1 . 2]" 1
560 1 85 ILE MG 1 89 PHE QD 8.340 . 8.440 3.412 2.281 4.707 . 0 0 "[ . 1 . 2]" 1
561 1 85 ILE MG 1 89 PHE QE 8.650 . 8.750 3.084 2.178 4.436 . 0 0 "[ . 1 . 2]" 1
562 1 85 ILE MG 1 89 PHE HZ 6.270 . 6.370 4.787 3.728 6.359 . 0 0 "[ . 1 . 2]" 1
563 1 85 ILE MG 1 142 VAL QG 6.590 . 6.690 2.197 1.931 2.604 . 0 0 "[ . 1 . 2]" 1
564 1 86 ARG H 1 142 VAL QG 5.500 . 5.600 4.043 2.875 5.211 . 0 0 "[ . 1 . 2]" 1
565 1 86 ARG HA 1 89 PHE QD 6.570 . 6.670 3.450 2.304 4.860 . 0 0 "[ . 1 . 2]" 1
566 1 86 ARG HA 1 142 VAL QG 4.800 . 4.900 3.111 2.110 4.818 . 0 0 "[ . 1 . 2]" 1
567 1 87 GLU H 1 88 ALA H 4.880 . 4.980 2.685 2.477 2.907 . 0 0 "[ . 1 . 2]" 1
568 1 87 GLU QB 1 88 ALA H 2.870 . 2.970 2.706 2.453 2.979 0.009 9 0 "[ . 1 . 2]" 1
569 1 87 GLU QB 1 88 ALA HA 5.340 . 5.440 3.946 3.684 4.084 . 0 0 "[ . 1 . 2]" 1
570 1 87 GLU QG 1 90 ARG QB 5.180 . 5.280 3.693 2.797 4.649 . 0 0 "[ . 1 . 2]" 1
571 1 88 ALA HA 1 91 VAL QG 6.420 . 6.520 3.244 2.409 4.243 . 0 0 "[ . 1 . 2]" 1
572 1 88 ALA MB 1 89 PHE H 4.840 . 4.940 2.700 2.640 2.857 . 0 0 "[ . 1 . 2]" 1
573 1 88 ALA MB 1 108 VAL QG 5.400 . 5.500 3.299 2.216 5.597 0.097 6 0 "[ . 1 . 2]" 1
574 1 89 PHE H 1 90 ARG H 3.300 . 3.400 2.438 2.126 2.693 . 0 0 "[ . 1 . 2]" 1
575 1 89 PHE QD 1 100 ILE MD 8.590 . 8.690 2.591 2.172 5.261 . 0 0 "[ . 1 . 2]" 1
576 1 89 PHE QD 1 108 VAL HB 7.630 . 7.730 4.425 3.179 6.362 . 0 0 "[ . 1 . 2]" 1
577 1 89 PHE QD 1 108 VAL QG 7.410 . 7.510 2.861 2.378 3.868 . 0 0 "[ . 1 . 2]" 1
578 1 89 PHE QD 1 138 TYR QB 6.090 . 6.190 3.173 2.296 4.700 . 0 0 "[ . 1 . 2]" 1
579 1 89 PHE QD 1 138 TYR QD 6.660 . 6.760 3.384 2.443 3.937 . 0 0 "[ . 1 . 2]" 1
580 1 89 PHE QD 1 142 VAL QG 8.440 . 8.540 2.833 2.153 3.789 . 0 0 "[ . 1 . 2]" 1
581 1 89 PHE QE 1 92 PHE QD 6.660 . 6.760 5.524 4.351 6.713 . 0 0 "[ . 1 . 2]" 1
582 1 89 PHE QE 1 100 ILE MD 8.650 . 8.750 3.296 2.283 4.910 . 0 0 "[ . 1 . 2]" 1
583 1 89 PHE QE 1 108 VAL H 6.760 . 6.860 5.156 4.309 6.888 0.028 6 0 "[ . 1 . 2]" 1
584 1 89 PHE QE 1 108 VAL HB 7.010 . 7.110 3.172 2.470 4.836 . 0 0 "[ . 1 . 2]" 1
585 1 89 PHE QE 1 108 VAL QG 8.380 . 8.480 2.615 2.287 2.973 . 0 0 "[ . 1 . 2]" 1
586 1 89 PHE QE 1 142 VAL HA 7.420 . 7.520 4.234 3.293 5.117 . 0 0 "[ . 1 . 2]" 1
587 1 89 PHE QE 1 142 VAL QG 7.210 . 7.310 2.706 2.306 3.530 . 0 0 "[ . 1 . 2]" 1
588 1 89 PHE HZ 1 108 VAL HB 4.350 . 4.450 4.089 3.512 4.506 0.056 6 0 "[ . 1 . 2]" 1
589 1 89 PHE HZ 1 108 VAL QG 4.230 . 4.330 3.000 2.616 3.477 . 0 0 "[ . 1 . 2]" 1
590 1 89 PHE HZ 1 109 MET ME 4.910 . 5.010 4.343 2.458 5.168 0.158 7 0 "[ . 1 . 2]" 1
591 1 89 PHE HZ 1 145 MET ME 4.130 . 4.230 2.996 2.098 4.053 . 0 0 "[ . 1 . 2]" 1
592 1 90 ARG H 1 91 VAL H 3.390 . 3.490 2.691 2.562 2.826 . 0 0 "[ . 1 . 2]" 1
593 1 90 ARG HA 1 93 ASP QB 4.940 . 5.040 2.552 2.139 3.802 . 0 0 "[ . 1 . 2]" 1
594 1 90 ARG QB 1 91 VAL HA 4.300 . 4.400 3.998 3.714 4.429 0.029 7 0 "[ . 1 . 2]" 1
595 1 90 ARG QB 1 91 VAL QG 6.080 . 6.180 3.818 3.072 4.725 . 0 0 "[ . 1 . 2]" 1
596 1 91 VAL H 1 91 VAL QG 4.170 . 4.270 2.146 1.883 2.553 . 0 0 "[ . 1 . 2]" 1
597 1 91 VAL H 1 92 PHE H 2.620 . 2.720 2.569 2.379 2.705 . 0 0 "[ . 1 . 2]" 1
598 1 91 VAL H 1 92 PHE QD 4.710 . 4.810 3.938 3.345 4.442 . 0 0 "[ . 1 . 2]" 1
599 1 91 VAL HB 1 92 PHE QD 6.730 . 6.830 4.461 2.930 5.243 . 0 0 "[ . 1 . 2]" 1
600 1 91 VAL QG 1 92 PHE QD 7.560 . 7.660 2.974 2.157 3.877 . 0 0 "[ . 1 . 2]" 1
601 1 91 VAL QG 1 92 PHE HZ 5.580 . 5.680 3.789 3.323 4.846 . 0 0 "[ . 1 . 2]" 1
602 1 92 PHE H 1 93 ASP H 2.860 . 2.960 2.271 2.107 2.500 . 0 0 "[ . 1 . 2]" 1
603 1 92 PHE HA 1 93 ASP H 3.450 . 3.550 3.228 3.050 3.455 . 0 0 "[ . 1 . 2]" 1
604 1 92 PHE QB 1 93 ASP H 5.020 . 5.120 3.329 2.650 3.928 . 0 0 "[ . 1 . 2]" 1
605 1 92 PHE QB 1 100 ILE HB 5.730 . 5.830 3.500 2.548 5.624 . 0 0 "[ . 1 . 2]" 1
606 1 92 PHE QB 1 100 ILE MG 6.280 . 6.380 2.704 2.072 4.518 . 0 0 "[ . 1 . 2]" 1
607 1 92 PHE QD 1 100 ILE MD 8.650 . 8.750 4.082 3.333 5.274 . 0 0 "[ . 1 . 2]" 1
608 1 92 PHE QD 1 107 HIS HD2 4.530 . 4.630 4.351 3.677 4.705 0.075 15 0 "[ . 1 . 2]" 1
609 1 92 PHE QE 1 108 VAL QG 7.830 . 7.930 2.519 2.094 3.309 . 0 0 "[ . 1 . 2]" 1
610 1 92 PHE HZ 1 108 VAL QG 4.870 . 4.970 3.423 2.275 4.146 . 0 0 "[ . 1 . 2]" 1
611 1 93 ASP H 1 94 LYS H 5.500 . 5.600 4.259 3.230 4.676 . 0 0 "[ . 1 . 2]" 1
612 1 93 ASP HA 1 94 LYS H 2.550 . 2.650 2.262 2.126 2.589 . 0 0 "[ . 1 . 2]" 1
613 1 93 ASP HA 1 100 ILE HB 5.500 . 5.600 4.772 4.394 5.369 . 0 0 "[ . 1 . 2]" 1
614 1 93 ASP HA 1 100 ILE MG 3.540 . 3.640 2.413 2.039 2.906 . 0 0 "[ . 1 . 2]" 1
615 1 93 ASP HA 1 138 TYR QE 7.630 . 7.730 4.345 2.911 6.327 . 0 0 "[ . 1 . 2]" 1
616 1 93 ASP QB 1 100 ILE MG 6.120 . 6.220 3.168 2.269 3.948 . 0 0 "[ . 1 . 2]" 1
617 1 93 ASP QB 1 138 TYR QE 4.440 . 4.540 3.093 2.242 4.144 . 0 0 "[ . 1 . 2]" 1
618 1 94 LYS QB 1 95 ASP H 4.460 . 4.560 2.703 2.348 3.536 . 0 0 "[ . 1 . 2]" 1
619 1 95 ASP H 1 96 GLY H 2.400 . 2.500 2.142 1.913 2.461 . 0 0 "[ . 1 . 2]" 1
620 1 95 ASP HA 1 96 GLY H 3.300 . 3.400 3.170 3.054 3.293 . 0 0 "[ . 1 . 2]" 1
621 1 95 ASP QB 1 96 GLY H 4.370 . 4.470 3.507 3.165 3.963 . 0 0 "[ . 1 . 2]" 1
622 1 96 GLY H 1 97 ASN H 2.860 . 2.960 2.386 2.053 2.727 . 0 0 "[ . 1 . 2]" 1
623 1 96 GLY QA 1 97 ASN H 3.080 . 3.180 2.743 2.648 2.880 . 0 0 "[ . 1 . 2]" 1
624 1 97 ASN H 1 98 GLY H 3.210 . 3.310 2.424 2.146 2.727 . 0 0 "[ . 1 . 2]" 1
625 1 98 GLY H 1 99 TYR H 3.330 . 3.430 2.558 2.349 2.940 . 0 0 "[ . 1 . 2]" 1
626 1 98 GLY QA 1 99 TYR H 3.030 . 3.130 2.858 2.755 2.906 . 0 0 "[ . 1 . 2]" 1
627 1 98 GLY QA 1 99 TYR QD 4.430 . 4.530 3.643 3.121 4.161 . 0 0 "[ . 1 . 2]" 1
628 1 99 TYR HA 1 100 ILE H 2.930 . 3.030 2.232 2.134 2.384 . 0 0 "[ . 1 . 2]" 1
629 1 99 TYR HA 1 100 ILE MG 4.840 . 4.940 3.631 3.326 3.894 . 0 0 "[ . 1 . 2]" 1
630 1 99 TYR HA 1 137 ASN HA 2.830 . 2.930 2.394 2.201 2.771 . 0 0 "[ . 1 . 2]" 1
631 1 99 TYR HA 1 138 TYR QD 6.390 . 6.490 3.491 2.362 5.060 . 0 0 "[ . 1 . 2]" 1
632 1 99 TYR QB 1 100 ILE H 3.320 . 3.420 2.882 2.442 3.093 . 0 0 "[ . 1 . 2]" 1
633 1 99 TYR QB 1 135 GLN QB 3.580 . 3.680 2.844 2.154 3.272 . 0 0 "[ . 1 . 2]" 1
634 1 99 TYR QD 1 135 GLN HB2 4.530 . 4.630 3.444 2.207 4.373 . 0 0 "[ . 1 . 2]" 1
635 1 99 TYR QD 1 135 GLN HB3 4.530 . 4.630 2.954 2.359 4.089 . 0 0 "[ . 1 . 2]" 1
636 1 99 TYR QD 1 137 ASN H 6.510 . 6.610 4.412 3.059 6.148 . 0 0 "[ . 1 . 2]" 1
637 1 99 TYR QD 1 137 ASN HA 4.530 . 4.630 3.600 2.522 4.569 . 0 0 "[ . 1 . 2]" 1
638 1 100 ILE H 1 136 VAL H 3.450 . 3.550 3.010 2.833 3.246 . 0 0 "[ . 1 . 2]" 1
639 1 100 ILE HA 1 101 SER H 3.050 . 3.150 2.507 2.442 2.572 . 0 0 "[ . 1 . 2]" 1
640 1 100 ILE HA 1 101 SER HA 5.500 . 5.600 4.293 4.190 4.348 . 0 0 "[ . 1 . 2]" 1
641 1 100 ILE HB 1 101 SER H 3.610 . 3.710 2.596 2.447 2.766 . 0 0 "[ . 1 . 2]" 1
642 1 100 ILE HB 1 104 GLU QB 4.330 . 4.430 2.625 2.192 3.204 . 0 0 "[ . 1 . 2]" 1
643 1 100 ILE MD 1 105 LEU QB 6.470 . 6.570 2.535 2.143 3.248 . 0 0 "[ . 1 . 2]" 1
644 1 100 ILE MD 1 105 LEU QD 6.000 . 6.100 2.392 2.211 2.634 . 0 0 "[ . 1 . 2]" 1
645 1 100 ILE MD 1 138 TYR HA 4.880 . 4.980 4.179 3.740 4.680 . 0 0 "[ . 1 . 2]" 1
646 1 100 ILE MD 1 138 TYR QB 5.400 . 5.500 2.619 2.290 3.632 . 0 0 "[ . 1 . 2]" 1
647 1 100 ILE MD 1 138 TYR QD 5.550 . 5.650 3.476 2.754 4.350 . 0 0 "[ . 1 . 2]" 1
648 1 100 ILE MD 1 138 TYR QE 8.650 . 8.750 4.740 2.773 5.963 . 0 0 "[ . 1 . 2]" 1
649 1 100 ILE QG 1 138 TYR QD 5.700 . 5.800 3.112 2.150 4.170 . 0 0 "[ . 1 . 2]" 1
650 1 100 ILE MG 1 101 SER H 5.030 . 5.130 3.839 3.715 4.010 . 0 0 "[ . 1 . 2]" 1
651 1 100 ILE MG 1 104 GLU QB 5.310 . 5.410 3.764 3.262 4.441 . 0 0 "[ . 1 . 2]" 1
652 1 100 ILE MG 1 138 TYR HB2 4.940 . 5.040 4.176 2.812 5.010 . 0 0 "[ . 1 . 2]" 1
653 1 100 ILE MG 1 138 TYR HB3 4.940 . 5.040 3.339 2.562 4.017 . 0 0 "[ . 1 . 2]" 1
654 1 101 SER H 1 135 GLN QB 5.340 . 5.440 4.856 4.030 5.436 . 0 0 "[ . 1 . 2]" 1
655 1 101 SER HA 1 102 ALA H 2.740 . 2.840 2.348 2.246 2.458 . 0 0 "[ . 1 . 2]" 1
656 1 101 SER HA 1 102 ALA MB 4.780 . 4.880 4.154 4.075 4.240 . 0 0 "[ . 1 . 2]" 1
657 1 101 SER HA 1 135 GLN QG 3.170 . 3.270 2.518 2.105 3.255 . 0 0 "[ . 1 . 2]" 1
658 1 101 SER HA 1 136 VAL QG 5.530 . 5.630 3.859 3.443 4.279 . 0 0 "[ . 1 . 2]" 1
659 1 101 SER QB 1 102 ALA H 4.550 . 4.650 3.350 2.609 3.558 . 0 0 "[ . 1 . 2]" 1
660 1 101 SER QB 1 103 ALA MB 6.690 . 6.790 3.088 2.836 3.421 . 0 0 "[ . 1 . 2]" 1
661 1 102 ALA H 1 103 ALA H 2.900 . 3.000 2.658 2.600 2.740 . 0 0 "[ . 1 . 2]" 1
662 1 102 ALA H 1 135 GLN HA 3.020 . 3.120 2.774 2.401 3.136 0.016 13 0 "[ . 1 . 2]" 1
663 1 102 ALA H 1 136 VAL QG 4.410 . 4.510 3.353 3.134 3.724 . 0 0 "[ . 1 . 2]" 1
664 1 102 ALA HA 1 105 LEU QB 4.210 . 4.310 2.620 2.324 2.997 . 0 0 "[ . 1 . 2]" 1
665 1 102 ALA HA 1 136 VAL HB 5.500 . 5.600 5.165 4.731 5.602 0.002 2 0 "[ . 1 . 2]" 1
666 1 102 ALA HA 1 136 VAL QG 4.900 . 5.000 2.486 2.211 2.749 . 0 0 "[ . 1 . 2]" 1
667 1 102 ALA MB 1 103 ALA H 3.910 . 4.010 2.795 2.642 2.935 . 0 0 "[ . 1 . 2]" 1
668 1 102 ALA MB 1 103 ALA HA 6.360 . 6.460 3.908 3.839 3.960 . 0 0 "[ . 1 . 2]" 1
669 1 103 ALA H 1 104 GLU H 3.110 . 3.210 2.605 2.493 2.732 . 0 0 "[ . 1 . 2]" 1
670 1 103 ALA HA 1 106 ARG QB 4.550 . 4.650 3.007 2.614 3.918 . 0 0 "[ . 1 . 2]" 1
671 1 103 ALA MB 1 104 GLU H 4.190 . 4.290 2.641 2.557 2.775 . 0 0 "[ . 1 . 2]" 1
672 1 104 GLU H 1 106 ARG QB 6.130 . 6.230 4.981 4.557 5.473 . 0 0 "[ . 1 . 2]" 1
673 1 104 GLU HA 1 107 HIS QB 4.330 . 4.430 2.664 2.278 4.196 . 0 0 "[ . 1 . 2]" 1
674 1 104 GLU QB 1 105 LEU HA 5.340 . 5.440 3.935 3.810 4.050 . 0 0 "[ . 1 . 2]" 1
675 1 105 LEU HA 1 107 HIS QB 5.340 . 5.440 4.897 4.754 5.341 . 0 0 "[ . 1 . 2]" 1
676 1 105 LEU HA 1 108 VAL QG 4.110 . 4.210 3.097 2.542 3.469 . 0 0 "[ . 1 . 2]" 1
677 1 105 LEU HA 1 109 MET H 5.500 . 5.600 4.321 3.992 4.809 . 0 0 "[ . 1 . 2]" 1
678 1 105 LEU QB 1 136 VAL HB 5.300 . 5.400 4.965 4.383 5.407 0.007 17 0 "[ . 1 . 2]" 1
679 1 105 LEU QB 1 136 VAL QG 5.510 . 5.610 2.558 2.167 2.896 . 0 0 "[ . 1 . 2]" 1
680 1 105 LEU QD 1 109 MET ME 5.610 . 5.710 2.323 2.054 2.921 . 0 0 "[ . 1 . 2]" 1
681 1 105 LEU QD 1 125 ILE HA 5.850 . 5.950 3.793 2.786 4.754 . 0 0 "[ . 1 . 2]" 1
682 1 105 LEU QD 1 125 ILE MD 7.390 . 7.490 2.790 2.068 3.807 . 0 0 "[ . 1 . 2]" 1
683 1 105 LEU QD 1 125 ILE MG 7.390 . 7.490 3.164 2.190 3.836 . 0 0 "[ . 1 . 2]" 1
684 1 105 LEU QD 1 136 VAL HB 4.410 . 4.510 3.604 3.178 3.913 . 0 0 "[ . 1 . 2]" 1
685 1 105 LEU QD 1 136 VAL QG 5.270 . 5.370 2.056 1.898 2.151 . 0 0 "[ . 1 . 2]" 1
686 1 105 LEU QD 1 141 PHE QE 6.440 . 6.540 2.634 2.365 2.997 . 0 0 "[ . 1 . 2]" 1
687 1 105 LEU MD1 1 106 ARG H 6.520 . 6.620 4.654 4.404 4.901 . 0 0 "[ . 1 . 2]" 1
688 1 105 LEU MD2 1 106 ARG H 6.520 . 6.620 3.960 3.347 4.540 . 0 0 "[ . 1 . 2]" 1
689 1 105 LEU HG 1 106 ARG HA 4.510 . 4.610 3.954 3.705 4.354 . 0 0 "[ . 1 . 2]" 1
690 1 106 ARG HA 1 109 MET H 5.500 . 5.600 3.361 3.109 3.575 . 0 0 "[ . 1 . 2]" 1
691 1 106 ARG HA 1 109 MET QB 3.500 . 3.600 2.633 2.349 3.101 . 0 0 "[ . 1 . 2]" 1
692 1 106 ARG HA 1 109 MET QG 5.230 . 5.330 3.630 3.100 4.606 . 0 0 "[ . 1 . 2]" 1
693 1 106 ARG HA 1 125 ILE MD 4.750 . 4.850 3.541 2.152 4.800 . 0 0 "[ . 1 . 2]" 1
694 1 106 ARG QB 1 107 HIS H 3.780 . 3.880 2.750 2.586 3.017 . 0 0 "[ . 1 . 2]" 1
695 1 107 HIS H 1 108 VAL H 3.670 . 3.770 2.739 2.447 2.898 . 0 0 "[ . 1 . 2]" 1
696 1 107 HIS HA 1 110 THR H 4.420 . 4.520 3.467 3.205 3.614 . 0 0 "[ . 1 . 2]" 1
697 1 107 HIS HA 1 110 THR MG 6.300 . 6.400 3.182 2.130 4.575 . 0 0 "[ . 1 . 2]" 1
698 1 107 HIS QB 1 108 VAL H 2.750 . 2.850 2.581 2.463 2.719 . 0 0 "[ . 1 . 2]" 1
699 1 107 HIS QB 1 108 VAL QG 5.440 . 5.540 3.334 3.155 3.488 . 0 0 "[ . 1 . 2]" 1
700 1 107 HIS HD2 1 108 VAL HA 5.500 . 5.600 4.487 3.235 5.717 0.117 5 0 "[ . 1 . 2]" 1
701 1 107 HIS HD2 1 108 VAL QG 4.440 . 4.540 3.780 3.032 4.449 . 0 0 "[ . 1 . 2]" 1
702 1 108 VAL HA 1 111 ASN QB 3.230 . 3.330 2.821 2.434 3.153 . 0 0 "[ . 1 . 2]" 1
703 1 108 VAL HB 1 109 MET H 3.450 . 3.550 2.635 2.520 2.781 . 0 0 "[ . 1 . 2]" 1
704 1 108 VAL HB 1 109 MET HA 4.630 . 4.730 4.223 4.118 4.398 . 0 0 "[ . 1 . 2]" 1
705 1 108 VAL QG 1 109 MET HA 4.570 . 4.670 3.462 3.288 3.713 . 0 0 "[ . 1 . 2]" 1
706 1 109 MET H 1 109 MET QG 4.890 . 4.990 2.748 2.136 3.978 . 0 0 "[ . 1 . 2]" 1
707 1 109 MET QB 1 110 THR H 3.020 . 3.120 2.659 2.461 3.001 . 0 0 "[ . 1 . 2]" 1
708 1 109 MET QB 1 110 THR HA 4.550 . 4.650 3.827 3.712 3.923 . 0 0 "[ . 1 . 2]" 1
709 1 109 MET HB2 1 110 THR H 3.550 . 3.650 2.873 2.531 3.602 . 0 0 "[ . 1 . 2]" 1
710 1 109 MET HB3 1 110 THR H 3.550 . 3.650 3.379 2.510 3.617 . 0 0 "[ . 1 . 2]" 1
711 1 109 MET ME 1 141 PHE QE 6.700 . 6.800 2.559 2.144 3.088 . 0 0 "[ . 1 . 2]" 1
712 1 109 MET ME 1 141 PHE HZ 4.130 . 4.230 3.446 2.748 4.259 0.029 17 0 "[ . 1 . 2]" 1
713 1 109 MET ME 1 145 MET ME 4.470 . 4.570 2.493 2.022 3.404 . 0 0 "[ . 1 . 2]" 1
714 1 110 THR HB 1 111 ASN H 5.000 . 5.100 3.653 2.684 4.392 . 0 0 "[ . 1 . 2]" 1
715 1 112 LEU H 1 113 GLY H 3.860 . 3.960 2.466 2.227 2.958 . 0 0 "[ . 1 . 2]" 1
716 1 112 LEU HB2 1 113 GLY H 4.480 . 4.580 3.495 2.814 4.518 . 0 0 "[ . 1 . 2]" 1
717 1 112 LEU HB3 1 113 GLY H 4.480 . 4.580 3.835 2.711 4.426 . 0 0 "[ . 1 . 2]" 1
718 1 113 GLY QA 1 114 GLU H 3.080 . 3.180 2.269 2.079 2.866 . 0 0 "[ . 1 . 2]" 1
719 1 114 GLU QG 1 115 LYS H 5.730 . 5.830 3.774 2.216 4.714 . 0 0 "[ . 1 . 2]" 1
720 1 116 LEU QB 1 117 THR H 6.160 . 6.260 2.513 1.776 3.276 . 0 0 "[ . 1 . 2]" 1
721 1 117 THR HA 1 118 ASP H 3.480 . 3.580 2.375 2.227 2.479 . 0 0 "[ . 1 . 2]" 1
722 1 117 THR HB 1 118 ASP H 3.950 . 4.050 3.071 2.434 3.944 . 0 0 "[ . 1 . 2]" 1
723 1 117 THR MG 1 118 ASP H 6.520 . 6.620 3.697 2.416 4.093 . 0 0 "[ . 1 . 2]" 1
724 1 118 ASP H 1 118 ASP HB2 3.980 . 4.080 2.403 2.132 3.552 . 0 0 "[ . 1 . 2]" 1
725 1 118 ASP H 1 118 ASP HB3 3.980 . 4.080 3.441 2.730 3.529 . 0 0 "[ . 1 . 2]" 1
726 1 118 ASP HA 1 121 VAL HB 3.860 . 3.960 3.492 2.831 4.101 0.141 13 0 "[ . 1 . 2]" 1
727 1 118 ASP QB 1 119 GLU H 3.680 . 3.780 2.779 2.370 3.547 . 0 0 "[ . 1 . 2]" 1
728 1 118 ASP HB2 1 119 GLU H 4.290 . 4.390 2.912 2.416 3.921 . 0 0 "[ . 1 . 2]" 1
729 1 118 ASP HB3 1 119 GLU H 4.290 . 4.390 3.598 3.061 4.049 . 0 0 "[ . 1 . 2]" 1
730 1 119 GLU H 1 120 GLU H 2.990 . 3.090 2.693 2.570 2.869 . 0 0 "[ . 1 . 2]" 1
731 1 119 GLU HA 1 122 ASP H 3.830 . 3.930 3.218 2.965 3.577 . 0 0 "[ . 1 . 2]" 1
732 1 119 GLU HA 1 122 ASP HB2 3.610 . 3.710 2.544 2.174 3.079 . 0 0 "[ . 1 . 2]" 1
733 1 119 GLU HA 1 122 ASP HB3 3.610 . 3.710 3.355 2.221 3.775 0.065 10 0 "[ . 1 . 2]" 1
734 1 119 GLU QB 1 120 GLU HA 4.640 . 4.740 3.964 3.754 4.581 . 0 0 "[ . 1 . 2]" 1
735 1 120 GLU H 1 121 VAL H 3.080 . 3.180 2.573 2.364 2.667 . 0 0 "[ . 1 . 2]" 1
736 1 121 VAL HA 1 124 MET H 4.910 . 5.010 3.776 3.509 4.322 . 0 0 "[ . 1 . 2]" 1
737 1 121 VAL HA 1 124 MET QB 4.180 . 4.280 3.515 2.904 4.135 . 0 0 "[ . 1 . 2]" 1
738 1 121 VAL HB 1 122 ASP H 5.500 . 5.600 2.665 2.483 3.025 . 0 0 "[ . 1 . 2]" 1
739 1 121 VAL QG 1 122 ASP H 4.900 . 5.000 3.271 3.174 3.470 . 0 0 "[ . 1 . 2]" 1
740 1 122 ASP HA 1 125 ILE H 4.910 . 5.010 3.315 2.913 3.654 . 0 0 "[ . 1 . 2]" 1
741 1 122 ASP HA 1 125 ILE HB 3.050 . 3.150 2.869 2.326 3.218 0.068 13 0 "[ . 1 . 2]" 1
742 1 122 ASP HA 1 125 ILE MD 4.440 . 4.540 3.020 2.170 4.550 0.010 20 0 "[ . 1 . 2]" 1
743 1 122 ASP HA 1 125 ILE MG 4.380 . 4.480 4.211 3.710 4.533 0.053 13 0 "[ . 1 . 2]" 1
744 1 122 ASP QB 1 123 GLU H 3.000 . 3.100 2.664 2.376 2.893 . 0 0 "[ . 1 . 2]" 1
745 1 122 ASP HB2 1 123 GLU H 3.450 . 3.550 3.213 2.705 3.566 0.016 1 0 "[ . 1 . 2]" 1
746 1 122 ASP HB3 1 123 GLU H 3.450 . 3.550 3.029 2.414 3.544 . 0 0 "[ . 1 . 2]" 1
747 1 123 GLU QG 1 124 MET QB 5.500 . 5.600 4.800 3.138 5.641 0.041 1 0 "[ . 1 . 2]" 1
748 1 123 GLU QG 1 126 ARG QB 6.520 . 6.620 4.444 3.409 6.207 . 0 0 "[ . 1 . 2]" 1
749 1 124 MET QB 1 125 ILE H 3.010 . 3.110 2.676 2.461 2.915 . 0 0 "[ . 1 . 2]" 1
750 1 124 MET QB 1 125 ILE HA 5.340 . 5.440 3.958 3.811 4.164 . 0 0 "[ . 1 . 2]" 1
751 1 124 MET QB 1 125 ILE QG 4.610 . 4.710 3.245 2.988 3.682 . 0 0 "[ . 1 . 2]" 1
752 1 124 MET QB 1 141 PHE HZ 4.460 . 4.560 3.603 2.194 4.643 0.083 19 0 "[ . 1 . 2]" 1
753 1 124 MET HB2 1 141 PHE QE 7.630 . 7.730 4.797 3.458 6.340 . 0 0 "[ . 1 . 2]" 1
754 1 124 MET HB3 1 141 PHE QE 7.630 . 7.730 3.824 2.250 5.148 . 0 0 "[ . 1 . 2]" 1
755 1 124 MET ME 1 125 ILE H 4.750 . 4.850 4.423 3.473 4.960 0.110 7 0 "[ . 1 . 2]" 1
756 1 125 ILE H 1 126 ARG H 3.550 . 3.650 2.476 2.320 2.659 . 0 0 "[ . 1 . 2]" 1
757 1 125 ILE H 1 126 ARG QB 5.480 . 5.580 4.254 3.990 4.762 . 0 0 "[ . 1 . 2]" 1
758 1 125 ILE HA 1 128 ALA H 5.500 . 5.600 3.599 3.066 4.165 . 0 0 "[ . 1 . 2]" 1
759 1 125 ILE HA 1 128 ALA MB 4.380 . 4.480 3.307 2.227 4.424 . 0 0 "[ . 1 . 2]" 1
760 1 125 ILE HA 1 141 PHE QE 5.900 . 6.000 3.409 2.105 4.768 . 0 0 "[ . 1 . 2]" 1
761 1 125 ILE HA 1 141 PHE HZ 3.640 . 3.740 2.881 2.136 3.854 0.114 18 0 "[ . 1 . 2]" 1
762 1 125 ILE MG 1 126 ARG H 4.690 . 4.790 3.592 3.281 3.875 . 0 0 "[ . 1 . 2]" 1
763 1 125 ILE MG 1 128 ALA MB 6.730 . 6.830 3.767 2.843 4.889 . 0 0 "[ . 1 . 2]" 1
764 1 126 ARG QB 1 127 GLU QG 5.960 . 6.060 3.753 3.084 4.858 . 0 0 "[ . 1 . 2]" 1
765 1 127 GLU QB 1 128 ALA H 3.100 . 3.200 2.811 2.563 3.122 . 0 0 "[ . 1 . 2]" 1
766 1 127 GLU HB2 1 128 ALA H 3.550 . 3.650 2.944 2.625 3.627 . 0 0 "[ . 1 . 2]" 1
767 1 127 GLU HB3 1 128 ALA H 3.550 . 3.650 3.625 3.405 3.699 0.049 1 0 "[ . 1 . 2]" 1
768 1 128 ALA MB 1 129 ASP H 6.520 . 6.620 2.905 2.334 3.721 . 0 0 "[ . 1 . 2]" 1
769 1 128 ALA MB 1 141 PHE QD 7.350 . 7.450 3.385 2.229 4.688 . 0 0 "[ . 1 . 2]" 1
770 1 128 ALA MB 1 141 PHE QE 6.790 . 6.890 2.485 2.138 3.519 . 0 0 "[ . 1 . 2]" 1
771 1 128 ALA MB 1 141 PHE HZ 4.130 . 4.230 3.507 2.171 4.273 0.043 8 0 "[ . 1 . 2]" 1
772 1 129 ASP H 1 129 ASP HB2 4.140 . 4.240 2.797 2.229 3.966 . 0 0 "[ . 1 . 2]" 1
773 1 129 ASP H 1 129 ASP HB3 4.140 . 4.240 3.084 2.431 3.535 . 0 0 "[ . 1 . 2]" 1
774 1 129 ASP QB 1 130 ILE H 4.420 . 4.520 3.315 1.993 4.005 . 0 0 "[ . 1 . 2]" 1
775 1 129 ASP HB2 1 130 ILE H 5.250 . 5.350 3.951 2.005 4.512 . 0 0 "[ . 1 . 2]" 1
776 1 129 ASP HB3 1 130 ILE H 5.250 . 5.350 3.772 3.024 4.596 . 0 0 "[ . 1 . 2]" 1
777 1 130 ILE H 1 130 ILE HB 3.860 . 3.960 3.009 2.498 3.819 . 0 0 "[ . 1 . 2]" 1
778 1 130 ILE HB 1 131 ASP H 4.200 . 4.300 3.535 2.421 4.272 . 0 0 "[ . 1 . 2]" 1
779 1 130 ILE MG 1 131 ASP H 6.520 . 6.620 3.487 2.537 4.388 . 0 0 "[ . 1 . 2]" 1
780 1 131 ASP H 1 131 ASP HB2 3.890 . 3.990 2.676 2.183 3.584 . 0 0 "[ . 1 . 2]" 1
781 1 131 ASP H 1 131 ASP HB3 3.890 . 3.990 3.005 2.375 3.687 . 0 0 "[ . 1 . 2]" 1
782 1 131 ASP HA 1 132 GLY H 3.550 . 3.650 2.861 2.152 3.391 . 0 0 "[ . 1 . 2]" 1
783 1 132 GLY QA 1 133 ASP H 2.970 . 3.070 2.711 2.462 2.903 . 0 0 "[ . 1 . 2]" 1
784 1 134 GLY QA 1 135 GLN H 2.930 . 3.030 2.795 2.694 2.884 . 0 0 "[ . 1 . 2]" 1
785 1 135 GLN HA 1 136 VAL H 3.330 . 3.430 2.323 2.194 2.437 . 0 0 "[ . 1 . 2]" 1
786 1 136 VAL HB 1 137 ASN H 3.140 . 3.240 2.783 2.587 3.021 . 0 0 "[ . 1 . 2]" 1
787 1 136 VAL QG 1 137 ASN H 4.200 . 4.300 3.352 3.241 3.470 . 0 0 "[ . 1 . 2]" 1
788 1 136 VAL QG 1 138 TYR HA 5.850 . 5.950 3.752 3.365 4.235 . 0 0 "[ . 1 . 2]" 1
789 1 136 VAL QG 1 141 PHE QB 5.940 . 6.040 4.078 3.303 5.000 . 0 0 "[ . 1 . 2]" 1
790 1 136 VAL QG 1 141 PHE QD 8.380 . 8.480 3.486 2.759 4.261 . 0 0 "[ . 1 . 2]" 1
791 1 136 VAL QG 1 141 PHE QE 8.440 . 8.540 3.414 2.354 4.472 . 0 0 "[ . 1 . 2]" 1
792 1 136 VAL QG 1 141 PHE HZ 5.110 . 5.210 4.723 3.669 5.274 0.064 5 0 "[ . 1 . 2]" 1
793 1 137 ASN HA 1 137 ASN HB2 2.520 . 2.620 2.333 2.140 2.510 . 0 0 "[ . 1 . 2]" 1
794 1 137 ASN HA 1 137 ASN HB3 2.520 . 2.620 2.392 2.246 2.530 . 0 0 "[ . 1 . 2]" 1
795 1 137 ASN HA 1 138 TYR H 2.930 . 3.030 2.250 2.115 2.409 . 0 0 "[ . 1 . 2]" 1
796 1 137 ASN HA 1 138 TYR QD 7.630 . 7.730 4.342 3.664 5.943 . 0 0 "[ . 1 . 2]" 1
797 1 138 TYR H 1 139 GLU H 2.860 . 2.960 2.559 2.092 2.848 . 0 0 "[ . 1 . 2]" 1
798 1 138 TYR HA 1 141 PHE QB 2.990 . 3.090 2.467 2.102 2.820 . 0 0 "[ . 1 . 2]" 1
799 1 138 TYR HA 1 141 PHE QD 5.270 . 5.370 3.769 2.286 4.783 . 0 0 "[ . 1 . 2]" 1
800 1 138 TYR QD 1 142 VAL QG 5.480 . 5.580 2.835 2.198 4.468 . 0 0 "[ . 1 . 2]" 1
801 1 138 TYR QE 1 139 GLU H 7.420 . 7.520 4.549 4.057 6.512 . 0 0 "[ . 1 . 2]" 1
802 1 138 TYR QE 1 142 VAL MG1 5.550 . 5.650 5.095 3.809 5.722 0.072 4 0 "[ . 1 . 2]" 1
803 1 138 TYR QE 1 142 VAL MG2 5.550 . 5.650 3.998 2.640 5.701 0.051 13 0 "[ . 1 . 2]" 1
804 1 139 GLU HA 1 142 VAL HB 3.890 . 3.990 3.359 2.746 4.034 0.044 13 0 "[ . 1 . 2]" 1
805 1 139 GLU HA 1 142 VAL QG 5.880 . 5.980 2.995 2.263 3.613 . 0 0 "[ . 1 . 2]" 1
806 1 139 GLU QG 1 142 VAL QG 4.550 . 4.650 4.151 3.524 4.752 0.102 10 0 "[ . 1 . 2]" 1
807 1 140 GLU H 1 141 PHE H 3.080 . 3.180 2.421 2.235 2.642 . 0 0 "[ . 1 . 2]" 1
808 1 140 GLU H 1 142 VAL QG 6.150 . 6.250 4.884 4.451 5.143 . 0 0 "[ . 1 . 2]" 1
809 1 140 GLU QB 1 141 PHE H 3.350 . 3.450 2.796 2.642 2.979 . 0 0 "[ . 1 . 2]" 1
810 1 141 PHE H 1 142 VAL H 2.800 . 2.900 2.642 2.528 2.788 . 0 0 "[ . 1 . 2]" 1
811 1 141 PHE HA 1 144 MET HB2 3.140 . 3.240 3.081 2.610 3.362 0.122 10 0 "[ . 1 . 2]" 1
812 1 141 PHE HA 1 144 MET HB3 3.140 . 3.240 2.836 2.526 3.322 0.082 10 0 "[ . 1 . 2]" 1
813 1 141 PHE HA 1 144 MET ME 4.880 . 4.980 3.468 2.546 4.952 . 0 0 "[ . 1 . 2]" 1
814 1 141 PHE QB 1 142 VAL H 2.930 . 3.030 2.728 2.477 2.943 . 0 0 "[ . 1 . 2]" 1
815 1 141 PHE QE 1 145 MET ME 7.470 . 7.570 3.166 2.415 3.781 . 0 0 "[ . 1 . 2]" 1
816 1 141 PHE HZ 1 145 MET ME 5.090 . 5.190 4.940 4.260 5.236 0.046 7 0 "[ . 1 . 2]" 1
817 1 142 VAL HA 1 145 MET H 3.890 . 3.990 3.480 3.215 3.707 . 0 0 "[ . 1 . 2]" 1
818 1 142 VAL HA 1 145 MET QB 4.330 . 4.430 3.220 2.637 4.088 . 0 0 "[ . 1 . 2]" 1
819 1 142 VAL QG 1 143 GLN H 5.230 . 5.330 2.955 2.280 3.221 . 0 0 "[ . 1 . 2]" 1
820 1 143 GLN HA 1 146 THR MG 4.290 . 4.390 3.221 2.163 4.518 0.128 7 0 "[ . 1 . 2]" 1
821 1 144 MET QB 1 145 MET H 3.230 . 3.330 2.677 2.454 2.988 . 0 0 "[ . 1 . 2]" 1
822 1 145 MET H 1 146 THR H 3.080 . 3.180 2.580 2.234 2.813 . 0 0 "[ . 1 . 2]" 1
823 1 145 MET QB 1 146 THR H 4.400 . 4.500 3.155 2.788 3.838 . 0 0 "[ . 1 . 2]" 1
824 1 146 THR H 1 147 ALA H 2.460 . 2.560 2.371 1.998 2.623 0.063 14 0 "[ . 1 . 2]" 1
825 1 147 ALA HA 1 148 LYS H 3.270 . 3.370 2.427 2.169 2.850 . 0 0 "[ . 1 . 2]" 1
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