NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502136 |
2l9p   |
17481 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9p
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 1204
_Distance_constraint_stats_list.Viol_count 489
_Distance_constraint_stats_list.Viol_total 887.063
_Distance_constraint_stats_list.Viol_max 0.366
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0907
_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 ILE 0.113 0.106 11 0 "[ . 1 . 2]"
1 4 GLU 0.973 0.366 17 0 "[ . 1 . 2]"
1 5 LYS 0.499 0.366 17 0 "[ . 1 . 2]"
1 6 LYS 0.029 0.029 7 0 "[ . 1 . 2]"
1 7 LYS 0.092 0.043 20 0 "[ . 1 . 2]"
1 8 ASN 0.776 0.136 10 0 "[ . 1 . 2]"
1 9 LYS 1.329 0.161 13 0 "[ . 1 . 2]"
1 10 ILE 0.494 0.126 4 0 "[ . 1 . 2]"
1 11 ILE 0.122 0.065 9 0 "[ . 1 . 2]"
1 12 PHE 0.106 0.106 11 0 "[ . 1 . 2]"
1 13 THR 0.525 0.229 17 0 "[ . 1 . 2]"
1 14 ARG 0.524 0.152 12 0 "[ . 1 . 2]"
1 15 THR 0.481 0.152 12 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 2.258 0.252 17 0 "[ . 1 . 2]"
1 22 LYS 0.899 0.102 16 0 "[ . 1 . 2]"
1 23 VAL 3.157 0.252 17 0 "[ . 1 . 2]"
1 24 PHE 0.022 0.022 4 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 1.555 0.195 15 0 "[ . 1 . 2]"
1 28 THR 1.555 0.195 15 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.494 0.174 12 0 "[ . 1 . 2]"
1 32 LEU 4.213 0.266 2 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 1.375 0.152 18 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PHE 0.027 0.027 13 0 "[ . 1 . 2]"
1 38 HIS 0.034 0.026 3 0 "[ . 1 . 2]"
1 39 PRO 0.606 0.115 12 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.606 0.115 12 0 "[ . 1 . 2]"
1 44 VAL 0.226 0.115 19 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.020 0.020 3 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PHE 5.776 0.266 2 0 "[ . 1 . 2]"
1 50 ASN 0.433 0.158 1 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.331 0.110 7 0 "[ . 1 . 2]"
1 53 LYS 1.137 0.253 1 0 "[ . 1 . 2]"
1 54 GLY 0.721 0.253 1 0 "[ . 1 . 2]"
1 55 GLY 0.294 0.158 1 0 "[ . 1 . 2]"
1 56 SER 0.477 0.110 7 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.729 0.158 12 0 "[ . 1 . 2]"
1 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.028 0.024 15 0 "[ . 1 . 2]"
1 62 GLN 2.386 0.328 13 0 "[ . 1 . 2]"
1 63 ALA 0.093 0.035 15 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 MET 0.020 0.020 2 0 "[ . 1 . 2]"
1 67 ILE 0.357 0.068 9 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 0.050 0.024 15 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.233 0.083 16 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.169 0.103 5 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.250 0.091 12 0 "[ . 1 . 2]"
1 77 VAL 0.666 0.179 7 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.808 0.142 3 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 0.771 0.142 3 0 "[ . 1 . 2]"
1 82 TYR 0.181 0.123 12 0 "[ . 1 . 2]"
1 83 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.249 0.083 16 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.586 0.160 2 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 1.210 0.174 11 0 "[ . 1 . 2]"
1 92 SER 0.475 0.154 12 0 "[ . 1 . 2]"
1 93 LYS 0.351 0.126 11 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.684 0.174 11 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.381 0.162 9 0 "[ . 1 . 2]"
1 98 THR 0.026 0.026 19 0 "[ . 1 . 2]"
1 99 SER 0.264 0.128 17 0 "[ . 1 . 2]"
1 100 MET 0.474 0.128 17 0 "[ . 1 . 2]"
1 101 PRO 0.053 0.045 19 0 "[ . 1 . 2]"
1 102 GLY 0.638 0.160 2 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 HIS 0.117 0.064 16 0 "[ . 1 . 2]"
1 105 ILE 0.054 0.054 17 0 "[ . 1 . 2]"
1 106 THR 0.060 0.060 9 0 "[ . 1 . 2]"
1 107 LEU 0.158 0.089 10 0 "[ . 1 . 2]"
1 108 ASN 2.189 0.207 1 0 "[ . 1 . 2]"
1 109 PHE 0.375 0.093 8 0 "[ . 1 . 2]"
1 113 LYS 0.072 0.060 12 0 "[ . 1 . 2]"
1 114 GLY 0.338 0.107 16 0 "[ . 1 . 2]"
1 115 LYS 0.289 0.107 16 0 "[ . 1 . 2]"
1 116 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 THR 3.529 0.332 10 0 "[ . 1 . 2]"
1 118 VAL 4.933 0.332 10 0 "[ . 1 . 2]"
1 119 THR 1.662 0.177 4 0 "[ . 1 . 2]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 THR 0.172 0.065 9 0 "[ . 1 . 2]"
1 122 SER 1.235 0.161 13 0 "[ . 1 . 2]"
1 123 THR 0.110 0.064 16 0 "[ . 1 . 2]"
1 124 PHE 3.457 0.228 7 0 "[ . 1 . 2]"
1 125 PRO 0.103 0.026 10 0 "[ . 1 . 2]"
1 126 THR 2.631 0.270 5 0 "[ . 1 . 2]"
1 128 SER 1.660 0.223 20 0 "[ . 1 . 2]"
1 129 ALA 0.521 0.115 16 0 "[ . 1 . 2]"
1 130 ALA 2.019 0.270 5 0 "[ . 1 . 2]"
1 131 GLN 2.606 0.228 7 0 "[ . 1 . 2]"
1 132 GLN 1.494 0.223 20 0 "[ . 1 . 2]"
1 133 ALA 0.481 0.126 4 0 "[ . 1 . 2]"
1 134 ILE 0.460 0.210 10 0 "[ . 1 . 2]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 VAL 0.341 0.210 10 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 SER 0.770 0.210 17 0 "[ . 1 . 2]"
1 145 THR 0.051 0.036 20 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ASN 0.914 0.210 17 0 "[ . 1 . 2]"
1 148 GLN 0.195 0.121 13 0 "[ . 1 . 2]"
1 149 LEU 2.591 0.216 17 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 LYS 0.083 0.027 2 0 "[ . 1 . 2]"
1 152 LEU 0.147 0.081 10 0 "[ . 1 . 2]"
1 153 LEU 2.591 0.216 17 0 "[ . 1 . 2]"
1 154 ASN 2.036 0.249 10 0 "[ . 1 . 2]"
1 155 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 LEU 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 4 GLU H 1 11 ILE H 4.830 . 4.830 3.910 3.189 4.340 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU H 1 12 PHE HA 5.620 . 5.620 4.336 3.920 5.125 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE HA 1 4 GLU H 3.840 . 3.840 2.428 2.159 2.833 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU H 1 11 ILE HB 5.050 . 5.050 3.002 2.244 3.535 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU H 1 5 LYS QD 4.620 . 4.620 4.149 3.691 4.986 0.366 17 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 11 ILE HG13 6.150 . 6.150 5.372 4.296 6.131 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 13 THR MG 4.770 . 4.770 4.555 4.183 4.999 0.229 17 0 "[ . 1 . 2]" 1
8 1 3 ILE HB 1 4 GLU H 4.450 . 4.450 2.567 1.908 4.385 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU HA 1 5 LYS H 3.600 . 3.600 2.235 2.158 2.331 . 0 0 "[ . 1 . 2]" 1
10 1 5 LYS H 1 5 LYS HB2 4.240 . 4.240 2.745 2.510 3.863 . 0 0 "[ . 1 . 2]" 1
11 1 79 ALA H 1 79 ALA MB 3.550 . 3.550 2.913 2.853 2.956 . 0 0 "[ . 1 . 2]" 1
12 1 6 LYS H 1 9 LYS H . . 4.990 3.496 3.121 4.160 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS HA 1 6 LYS H 3.850 . 3.850 2.178 2.093 2.224 . 0 0 "[ . 1 . 2]" 1
14 1 6 LYS H 1 10 ILE HA 5.170 . 5.170 3.602 2.795 4.013 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS HB2 1 6 LYS H 5.580 . 5.580 4.223 3.004 4.514 . 0 0 "[ . 1 . 2]" 1
16 1 6 LYS H 1 9 LYS HB3 4.490 . 4.490 3.237 2.447 4.452 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS H 1 6 LYS QG 4.570 . 4.570 2.783 2.305 3.909 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS H 1 11 ILE MD 5.300 . 5.300 4.306 2.744 5.329 0.029 7 0 "[ . 1 . 2]" 1
19 1 8 ASN HD21 1 124 PHE H . . 5.890 4.247 3.426 4.858 . 0 0 "[ . 1 . 2]" 1
20 1 139 GLU H 1 140 THR H 4.190 . 4.190 2.826 2.725 2.943 . 0 0 "[ . 1 . 2]" 1
21 1 140 THR H 1 141 GLY H 4.290 . 4.290 2.630 2.449 2.821 . 0 0 "[ . 1 . 2]" 1
22 1 140 THR H 1 140 THR HB 3.960 . 3.960 2.650 2.505 3.644 . 0 0 "[ . 1 . 2]" 1
23 1 139 GLU HA 1 140 THR H 5.170 . 5.170 3.572 3.550 3.600 . 0 0 "[ . 1 . 2]" 1
24 1 35 GLN H 1 35 GLN HB2 3.760 . 3.760 2.478 2.413 2.522 . 0 0 "[ . 1 . 2]" 1
25 1 140 THR H 1 140 THR MG 4.730 . 4.730 3.635 2.072 3.825 . 0 0 "[ . 1 . 2]" 1
26 1 8 ASN HD21 1 123 THR MG . . 4.480 3.191 2.235 4.474 . 0 0 "[ . 1 . 2]" 1
27 1 138 VAL MG1 1 140 THR H 5.500 . 5.500 4.788 4.578 5.004 . 0 0 "[ . 1 . 2]" 1
28 1 8 ASN H 1 9 LYS H . . 4.170 2.623 2.019 2.949 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS HA 1 8 ASN H 5.210 . 5.210 3.582 3.556 3.605 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS HB2 1 8 ASN H 3.770 . 3.770 2.070 1.896 2.279 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS HB3 1 8 ASN H 3.780 . 3.780 2.859 2.505 3.178 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS HD3 1 8 ASN H 5.170 . 5.170 4.731 4.121 5.213 0.043 20 0 "[ . 1 . 2]" 1
33 1 7 LYS QG 1 8 ASN H 4.830 . 4.830 3.980 3.703 4.095 . 0 0 "[ . 1 . 2]" 1
34 1 8 ASN H 1 130 ALA MB 5.910 . 5.910 4.168 3.652 4.464 . 0 0 "[ . 1 . 2]" 1
35 1 8 ASN HD22 1 123 THR MG 4.490 . 4.490 3.031 2.307 4.500 0.010 13 0 "[ . 1 . 2]" 1
36 1 8 ASN HA 1 9 LYS H 5.070 . 5.070 2.972 2.754 3.409 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HB2 1 9 LYS H 5.380 . 5.380 4.253 3.718 4.686 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS H 1 9 LYS HB2 4.190 . 4.190 3.155 2.470 3.486 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS H 1 9 LYS HB3 4.390 . 4.390 2.826 2.375 3.807 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS H 1 130 ALA MB . . 5.320 2.953 2.351 4.271 . 0 0 "[ . 1 . 2]" 1
41 1 10 ILE H 1 122 SER H 4.790 . 4.790 3.417 2.706 3.751 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS H 1 10 ILE H 5.680 . 5.680 4.309 4.117 4.541 . 0 0 "[ . 1 . 2]" 1
43 1 10 ILE H 1 124 PHE QD 5.390 . 5.390 2.930 2.525 3.829 . 0 0 "[ . 1 . 2]" 1
44 1 9 LYS HA 1 10 ILE H 3.840 . 3.840 2.196 2.152 2.237 . 0 0 "[ . 1 . 2]" 1
45 1 10 ILE H 1 121 THR HA 5.850 . 5.850 5.148 4.212 5.498 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS HA 1 10 ILE H 6.060 . 6.060 5.106 4.743 5.992 . 0 0 "[ . 1 . 2]" 1
47 1 10 ILE H 1 123 THR HA 5.370 . 5.370 3.808 3.585 4.044 . 0 0 "[ . 1 . 2]" 1
48 1 10 ILE H 1 122 SER HB2 5.580 . 5.580 3.305 2.924 4.130 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE H 1 122 SER HB3 6.090 . 6.090 4.285 4.037 4.719 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS HB2 1 10 ILE H 4.340 . 4.340 4.247 4.010 4.372 0.032 9 0 "[ . 1 . 2]" 1
51 1 10 ILE H 1 10 ILE QG 4.990 . 4.990 2.880 2.660 3.057 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS HB3 1 10 ILE H 4.690 . 4.690 4.148 3.129 4.383 . 0 0 "[ . 1 . 2]" 1
53 1 10 ILE H 1 121 THR MG 5.280 . 5.280 4.932 4.089 5.325 0.045 5 0 "[ . 1 . 2]" 1
54 1 11 ILE H 1 12 PHE H 5.670 . 5.670 4.268 4.092 4.390 . 0 0 "[ . 1 . 2]" 1
55 1 15 THR HA 1 118 VAL H 4.850 . 4.850 4.138 3.656 4.788 . 0 0 "[ . 1 . 2]" 1
56 1 117 THR HA 1 118 VAL H 3.920 . 3.920 2.184 2.141 2.257 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE HA 1 11 ILE H 3.890 . 3.890 2.155 2.093 2.195 . 0 0 "[ . 1 . 2]" 1
58 1 10 ILE HB 1 11 ILE H 5.170 . 5.170 4.368 4.184 4.493 . 0 0 "[ . 1 . 2]" 1
59 1 11 ILE H 1 11 ILE HB 4.400 . 4.400 2.532 2.343 2.692 . 0 0 "[ . 1 . 2]" 1
60 1 11 ILE H 1 11 ILE HG12 5.020 . 5.020 3.694 2.208 4.243 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE H 1 11 ILE HG13 5.630 . 5.630 2.780 2.251 3.750 . 0 0 "[ . 1 . 2]" 1
62 1 117 THR MG 1 118 VAL H 4.180 . 4.180 3.152 2.545 3.455 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE MG 1 11 ILE H 4.320 . 4.320 3.055 2.613 3.412 . 0 0 "[ . 1 . 2]" 1
64 1 11 ILE HA 1 12 PHE H 3.920 . 3.920 2.199 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
65 1 12 PHE H 1 119 THR HA 6.300 . 6.300 4.873 4.418 5.095 . 0 0 "[ . 1 . 2]" 1
66 1 12 PHE H 1 120 SER HB3 . . 5.860 4.853 4.466 5.248 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE HG13 1 12 PHE H 6.080 . 6.080 5.115 4.560 5.834 . 0 0 "[ . 1 . 2]" 1
68 1 12 PHE H 1 13 THR MG 6.300 . 6.300 5.492 5.171 5.730 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE MG 1 12 PHE H 4.510 . 4.510 3.260 3.131 3.339 . 0 0 "[ . 1 . 2]" 1
70 1 12 PHE H 1 13 THR H 5.880 . 5.880 4.474 4.228 4.598 . 0 0 "[ . 1 . 2]" 1
71 1 12 PHE QD 1 13 THR H 5.440 . 5.440 3.554 3.246 4.201 . 0 0 "[ . 1 . 2]" 1
72 1 12 PHE HA 1 13 THR H 3.650 . 3.650 2.245 2.160 2.319 . 0 0 "[ . 1 . 2]" 1
73 1 3 ILE HA 1 13 THR H 5.270 . 5.270 4.346 3.441 5.188 . 0 0 "[ . 1 . 2]" 1
74 1 12 PHE HB2 1 13 THR H 5.600 . 5.600 4.340 4.101 4.663 . 0 0 "[ . 1 . 2]" 1
75 1 12 PHE HB3 1 13 THR H 5.540 . 5.540 4.048 3.834 4.308 . 0 0 "[ . 1 . 2]" 1
76 1 13 THR H 1 13 THR MG 4.650 . 4.650 2.240 1.931 2.484 . 0 0 "[ . 1 . 2]" 1
77 1 3 ILE HB 1 13 THR H 6.070 . 6.070 4.356 3.500 6.077 0.007 2 0 "[ . 1 . 2]" 1
78 1 14 ARG H 1 118 VAL H 4.810 . 4.810 3.635 3.134 4.368 . 0 0 "[ . 1 . 2]" 1
79 1 32 LEU H 1 33 PHE H 4.050 . 4.050 2.187 2.053 2.423 . 0 0 "[ . 1 . 2]" 1
80 1 13 THR HA 1 14 ARG H 3.780 . 3.780 2.236 2.134 2.311 . 0 0 "[ . 1 . 2]" 1
81 1 66 MET HA 1 67 ILE H 3.430 . 3.430 2.314 2.241 2.427 . 0 0 "[ . 1 . 2]" 1
82 1 13 THR HB 1 14 ARG H 4.970 . 4.970 4.048 3.928 4.181 . 0 0 "[ . 1 . 2]" 1
83 1 66 MET QG 1 67 ILE H 4.800 . 4.800 3.291 2.418 4.513 . 0 0 "[ . 1 . 2]" 1
84 1 66 MET QB 1 67 ILE H 4.200 . 4.200 3.220 2.422 3.764 . 0 0 "[ . 1 . 2]" 1
85 1 14 ARG H 1 14 ARG HB3 4.320 . 4.320 3.090 2.686 3.550 . 0 0 "[ . 1 . 2]" 1
86 1 63 ALA MB 1 67 ILE H 4.900 . 4.900 4.783 4.555 4.935 0.035 15 0 "[ . 1 . 2]" 1
87 1 13 THR MG 1 14 ARG H 4.160 . 4.160 3.958 3.624 4.203 0.043 2 0 "[ . 1 . 2]" 1
88 1 67 ILE H 1 67 ILE MD . . 5.680 4.202 3.986 4.345 . 0 0 "[ . 1 . 2]" 1
89 1 67 ILE H 1 67 ILE MG 4.270 . 4.270 3.949 3.900 3.981 . 0 0 "[ . 1 . 2]" 1
90 1 67 ILE HA 1 68 SER H 3.680 . 3.680 2.176 2.127 2.241 . 0 0 "[ . 1 . 2]" 1
91 1 14 ARG HA 1 15 THR H 3.890 . 3.890 2.223 2.155 2.402 . 0 0 "[ . 1 . 2]" 1
92 1 102 GLY HA3 1 103 MET H 4.080 . 4.080 3.381 3.180 3.512 . 0 0 "[ . 1 . 2]" 1
93 1 15 THR H 1 15 THR HB 4.250 . 4.250 2.651 2.539 2.873 . 0 0 "[ . 1 . 2]" 1
94 1 102 GLY HA2 1 103 MET H 4.440 . 4.440 2.192 2.107 2.343 . 0 0 "[ . 1 . 2]" 1
95 1 142 MET H 1 142 MET HB2 4.200 . 4.200 2.469 2.385 2.542 . 0 0 "[ . 1 . 2]" 1
96 1 14 ARG HG2 1 15 THR H 4.940 . 4.940 3.925 2.585 4.736 . 0 0 "[ . 1 . 2]" 1
97 1 14 ARG HG3 1 15 THR H 4.620 . 4.620 3.711 2.447 4.772 0.152 12 0 "[ . 1 . 2]" 1
98 1 16 PHE H 1 116 THR H 4.800 . 4.800 3.983 3.551 4.558 . 0 0 "[ . 1 . 2]" 1
99 1 16 PHE H 1 16 PHE QD 4.700 . 4.700 2.835 2.349 3.505 . 0 0 "[ . 1 . 2]" 1
100 1 15 THR HA 1 16 PHE H 3.910 . 3.910 2.191 2.154 2.253 . 0 0 "[ . 1 . 2]" 1
101 1 16 PHE H 1 116 THR HB 6.300 . 6.300 3.802 2.966 4.931 . 0 0 "[ . 1 . 2]" 1
102 1 15 THR HB 1 16 PHE H . . 5.860 4.275 3.982 4.398 . 0 0 "[ . 1 . 2]" 1
103 1 16 PHE H 1 116 THR MG 6.220 . 6.220 4.294 3.380 5.377 . 0 0 "[ . 1 . 2]" 1
104 1 15 THR MG 1 16 PHE H 4.260 . 4.260 2.954 2.430 3.291 . 0 0 "[ . 1 . 2]" 1
105 1 16 PHE H 1 23 VAL MG2 6.260 . 6.260 4.636 4.184 5.285 . 0 0 "[ . 1 . 2]" 1
106 1 16 PHE H 1 18 ALA H 5.900 . 5.900 5.442 5.236 5.787 . 0 0 "[ . 1 . 2]" 1
107 1 18 ALA H 1 116 THR H 4.470 . 4.470 3.104 2.678 3.559 . 0 0 "[ . 1 . 2]" 1
108 1 18 ALA H 1 115 LYS HA 4.330 . 4.330 3.072 2.326 3.893 . 0 0 "[ . 1 . 2]" 1
109 1 17 SER HA 1 18 ALA H 3.480 . 3.480 2.214 2.152 2.278 . 0 0 "[ . 1 . 2]" 1
110 1 17 SER HB2 1 18 ALA H 5.110 . 5.110 4.280 3.938 4.504 . 0 0 "[ . 1 . 2]" 1
111 1 16 PHE HB2 1 18 ALA H 6.040 . 6.040 4.474 4.207 4.786 . 0 0 "[ . 1 . 2]" 1
112 1 18 ALA H 1 115 LYS HB3 5.390 . 5.390 4.218 3.278 5.221 . 0 0 "[ . 1 . 2]" 1
113 1 18 ALA H 1 23 VAL MG2 6.110 . 6.110 4.492 4.015 5.276 . 0 0 "[ . 1 . 2]" 1
114 1 21 ASN H 1 23 VAL H 5.250 . 5.250 4.066 3.956 4.250 . 0 0 "[ . 1 . 2]" 1
115 1 21 ASN H 1 22 LYS H 4.180 . 4.180 2.830 2.514 2.947 . 0 0 "[ . 1 . 2]" 1
116 1 139 GLU HA 1 143 ASN H 5.450 . 5.450 4.297 3.806 4.699 . 0 0 "[ . 1 . 2]" 1
117 1 143 ASN H 1 143 ASN HB2 4.070 . 4.070 2.457 2.302 2.576 . 0 0 "[ . 1 . 2]" 1
118 1 21 ASN H 1 21 ASN HB3 4.260 . 4.260 3.256 2.364 3.636 . 0 0 "[ . 1 . 2]" 1
119 1 21 ASN H 1 23 VAL HB 4.770 . 4.770 4.883 4.835 5.022 0.252 17 0 "[ . 1 . 2]" 1
120 1 19 PRO HB3 1 21 ASN H 5.640 . 5.640 4.338 4.073 4.664 . 0 0 "[ . 1 . 2]" 1
121 1 142 MET HB2 1 143 ASN H 4.510 . 4.510 2.694 2.345 2.980 . 0 0 "[ . 1 . 2]" 1
122 1 142 MET HB3 1 143 ASN H 4.780 . 4.780 3.625 3.366 3.825 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE MG 1 21 ASN H 3.770 . 3.770 2.463 2.194 2.567 . 0 0 "[ . 1 . 2]" 1
124 1 22 LYS H 1 24 PHE H . . 5.210 4.202 3.976 4.480 . 0 0 "[ . 1 . 2]" 1
125 1 22 LYS H 1 23 VAL H 3.950 . 3.950 2.539 2.356 2.686 . 0 0 "[ . 1 . 2]" 1
126 1 21 ASN HB2 1 22 LYS H 5.720 . 5.720 2.974 2.316 3.822 . 0 0 "[ . 1 . 2]" 1
127 1 21 ASN HB3 1 22 LYS H 5.260 . 5.260 3.184 2.374 3.882 . 0 0 "[ . 1 . 2]" 1
128 1 22 LYS H 1 23 VAL HB 4.650 . 4.650 4.655 4.451 4.752 0.102 16 0 "[ . 1 . 2]" 1
129 1 22 LYS H 1 22 LYS HB2 4.120 . 4.120 3.232 2.719 3.700 . 0 0 "[ . 1 . 2]" 1
130 1 22 LYS H 1 22 LYS HG2 4.810 . 4.810 2.597 1.971 4.484 . 0 0 "[ . 1 . 2]" 1
131 1 22 LYS H 1 22 LYS HG3 4.630 . 4.630 2.623 1.907 4.230 . 0 0 "[ . 1 . 2]" 1
132 1 18 ALA MB 1 22 LYS H 5.640 . 5.640 4.613 4.084 4.936 . 0 0 "[ . 1 . 2]" 1
133 1 20 ILE MG 1 22 LYS H 5.880 . 5.880 4.763 4.338 4.879 . 0 0 "[ . 1 . 2]" 1
134 1 22 LYS H 1 23 VAL MG2 5.330 . 5.330 3.866 3.604 4.099 . 0 0 "[ . 1 . 2]" 1
135 1 23 VAL H 1 24 PHE H . . 4.220 2.679 2.537 2.898 . 0 0 "[ . 1 . 2]" 1
136 1 20 ILE HA 1 23 VAL H 5.010 . 5.010 3.478 3.037 3.799 . 0 0 "[ . 1 . 2]" 1
137 1 23 VAL H 1 23 VAL HB 4.210 . 4.210 2.469 2.353 2.574 . 0 0 "[ . 1 . 2]" 1
138 1 22 LYS HB2 1 23 VAL H 4.680 . 4.680 3.299 2.381 4.125 . 0 0 "[ . 1 . 2]" 1
139 1 20 ILE QG 1 23 VAL H 6.020 . 6.020 4.931 4.396 5.373 . 0 0 "[ . 1 . 2]" 1
140 1 22 LYS HG3 1 23 VAL H 5.470 . 5.470 3.129 2.381 3.904 . 0 0 "[ . 1 . 2]" 1
141 1 18 ALA MB 1 23 VAL H 5.510 . 5.510 4.072 3.637 4.476 . 0 0 "[ . 1 . 2]" 1
142 1 23 VAL H 1 23 VAL MG1 . . 4.800 3.794 3.751 3.826 . 0 0 "[ . 1 . 2]" 1
143 1 23 VAL H 1 23 VAL MG2 3.970 . 3.970 2.119 2.018 2.207 . 0 0 "[ . 1 . 2]" 1
144 1 23 VAL H 1 153 LEU MD2 . . 4.770 3.834 3.365 4.422 . 0 0 "[ . 1 . 2]" 1
145 1 108 ASN H 1 119 THR H 4.440 . 4.440 3.453 3.166 3.700 . 0 0 "[ . 1 . 2]" 1
146 1 24 PHE H 1 25 ASP H . . 4.240 2.713 2.610 2.852 . 0 0 "[ . 1 . 2]" 1
147 1 107 LEU HA 1 108 ASN H 3.780 . 3.780 2.183 2.112 2.260 . 0 0 "[ . 1 . 2]" 1
148 1 20 ILE HA 1 24 PHE H 5.050 . 5.050 4.017 3.286 4.237 . 0 0 "[ . 1 . 2]" 1
149 1 24 PHE H 1 24 PHE HB2 4.360 . 4.360 2.609 2.526 2.707 . 0 0 "[ . 1 . 2]" 1
150 1 24 PHE H 1 24 PHE HB3 4.290 . 4.290 2.407 2.279 2.484 . 0 0 "[ . 1 . 2]" 1
151 1 23 VAL HB 1 24 PHE H 4.440 . 4.440 2.591 2.307 2.787 . 0 0 "[ . 1 . 2]" 1
152 1 108 ASN H 1 118 VAL MG2 4.710 . 4.710 4.509 3.180 4.917 0.207 1 0 "[ . 1 . 2]" 1
153 1 107 LEU HB3 1 108 ASN H 4.490 . 4.490 3.284 2.974 3.619 . 0 0 "[ . 1 . 2]" 1
154 1 25 ASP H 1 26 ALA H 4.240 . 4.240 2.743 2.668 2.836 . 0 0 "[ . 1 . 2]" 1
155 1 145 THR HB 1 146 LEU H 4.420 . 4.420 2.756 2.631 2.963 . 0 0 "[ . 1 . 2]" 1
156 1 24 PHE HA 1 25 ASP H 5.490 . 5.490 3.575 3.560 3.599 . 0 0 "[ . 1 . 2]" 1
157 1 25 ASP H 1 25 ASP HB2 3.960 . 3.960 2.448 2.345 2.541 . 0 0 "[ . 1 . 2]" 1
158 1 24 PHE HB3 1 25 ASP H 5.090 . 5.090 2.560 2.309 2.805 . 0 0 "[ . 1 . 2]" 1
159 1 146 LEU H 1 146 LEU MD2 . . 5.080 3.351 3.059 3.701 . 0 0 "[ . 1 . 2]" 1
160 1 145 THR MG 1 146 LEU H 5.170 . 5.170 3.696 3.534 3.898 . 0 0 "[ . 1 . 2]" 1
161 1 24 PHE H 1 26 ALA H 5.760 . 5.760 4.054 3.876 4.190 . 0 0 "[ . 1 . 2]" 1
162 1 132 GLN H 1 133 ALA H . . 4.150 2.746 2.653 2.826 . 0 0 "[ . 1 . 2]" 1
163 1 23 VAL HA 1 26 ALA H 5.160 . 5.160 3.736 3.432 3.905 . 0 0 "[ . 1 . 2]" 1
164 1 25 ASP HB2 1 26 ALA H 4.610 . 4.610 3.200 2.856 3.439 . 0 0 "[ . 1 . 2]" 1
165 1 25 ASP HB3 1 26 ALA H 5.040 . 5.040 3.997 3.684 4.160 . 0 0 "[ . 1 . 2]" 1
166 1 132 GLN QB 1 133 ALA H 4.030 . 4.030 2.838 2.611 3.555 . 0 0 "[ . 1 . 2]" 1
167 1 26 ALA H 1 26 ALA MB 3.660 . 3.660 2.230 2.206 2.267 . 0 0 "[ . 1 . 2]" 1
168 1 23 VAL MG1 1 26 ALA H 5.880 . 5.880 4.826 4.587 4.984 . 0 0 "[ . 1 . 2]" 1
169 1 26 ALA H 1 32 LEU MD1 4.740 . 4.740 3.247 2.991 3.526 . 0 0 "[ . 1 . 2]" 1
170 1 26 ALA H 1 153 LEU MD2 5.490 . 5.490 3.879 3.609 4.328 . 0 0 "[ . 1 . 2]" 1
171 1 26 ALA H 1 149 LEU MD1 . . 5.490 4.362 4.033 4.540 . 0 0 "[ . 1 . 2]" 1
172 1 27 TYR H 1 29 LYS H 5.410 . 5.410 3.963 3.812 4.129 . 0 0 "[ . 1 . 2]" 1
173 1 25 ASP HA 1 27 TYR H 6.150 . 6.150 3.839 3.474 4.181 . 0 0 "[ . 1 . 2]" 1
174 1 26 ALA HA 1 27 TYR H 5.940 . 5.940 3.507 3.441 3.597 . 0 0 "[ . 1 . 2]" 1
175 1 24 PHE HA 1 27 TYR H . . 5.240 3.783 3.365 4.230 . 0 0 "[ . 1 . 2]" 1
176 1 27 TYR H 1 27 TYR HB3 4.370 . 4.370 3.617 2.712 3.738 . 0 0 "[ . 1 . 2]" 1
177 1 26 ALA MB 1 27 TYR H . . 4.290 2.765 2.447 3.001 . 0 0 "[ . 1 . 2]" 1
178 1 27 TYR H 1 32 LEU MD1 6.030 . 6.030 4.808 4.612 5.034 . 0 0 "[ . 1 . 2]" 1
179 1 27 TYR H 1 28 THR MG 5.230 . 5.230 4.697 3.790 5.425 0.195 15 0 "[ . 1 . 2]" 1
180 1 28 THR H 1 29 LYS H 3.980 . 3.980 2.134 1.908 2.401 . 0 0 "[ . 1 . 2]" 1
181 1 27 TYR HA 1 28 THR H 5.870 . 5.870 3.416 3.315 3.498 . 0 0 "[ . 1 . 2]" 1
182 1 25 ASP HA 1 28 THR H 5.100 . 5.100 2.947 2.717 3.446 . 0 0 "[ . 1 . 2]" 1
183 1 26 ALA HA 1 28 THR H 6.300 . 6.300 4.223 3.975 4.579 . 0 0 "[ . 1 . 2]" 1
184 1 27 TYR HB3 1 28 THR H 5.700 . 5.700 4.171 3.890 4.365 . 0 0 "[ . 1 . 2]" 1
185 1 28 THR H 1 29 LYS QB 5.710 . 5.710 4.231 3.943 4.516 . 0 0 "[ . 1 . 2]" 1
186 1 26 ALA MB 1 28 THR H 6.300 . 6.300 4.421 4.247 4.591 . 0 0 "[ . 1 . 2]" 1
187 1 28 THR H 1 28 THR MG 4.680 . 4.680 3.417 2.817 3.961 . 0 0 "[ . 1 . 2]" 1
188 1 27 TYR HA 1 29 LYS H 5.700 . 5.700 4.569 4.197 4.755 . 0 0 "[ . 1 . 2]" 1
189 1 28 THR HA 1 29 LYS H 5.020 . 5.020 3.459 3.384 3.499 . 0 0 "[ . 1 . 2]" 1
190 1 25 ASP HA 1 29 LYS H 5.530 . 5.530 3.384 2.932 3.839 . 0 0 "[ . 1 . 2]" 1
191 1 29 LYS H 1 32 LEU HB2 5.940 . 5.940 4.188 3.791 4.679 . 0 0 "[ . 1 . 2]" 1
192 1 29 LYS H 1 32 LEU MD1 5.420 . 5.420 4.068 3.625 4.528 . 0 0 "[ . 1 . 2]" 1
193 1 28 THR MG 1 29 LYS H 5.760 . 5.760 4.161 3.929 4.305 . 0 0 "[ . 1 . 2]" 1
194 1 29 LYS H 1 51 ALA MB 6.160 . 6.160 4.602 4.334 4.930 . 0 0 "[ . 1 . 2]" 1
195 1 30 ARG H 1 31 GLU H 5.320 . 5.320 2.630 2.557 2.786 . 0 0 "[ . 1 . 2]" 1
196 1 30 ARG H 1 49 PHE QD 5.760 . 5.760 3.738 3.326 4.083 . 0 0 "[ . 1 . 2]" 1
197 1 29 LYS QB 1 30 ARG H 4.760 . 4.760 3.184 2.866 3.436 . 0 0 "[ . 1 . 2]" 1
198 1 31 GLU H 1 32 LEU H 4.410 . 4.410 2.801 2.678 2.891 . 0 0 "[ . 1 . 2]" 1
199 1 29 LYS HA 1 31 GLU H 5.860 . 5.860 4.074 3.797 4.658 . 0 0 "[ . 1 . 2]" 1
200 1 30 ARG QD 1 31 GLU H 5.840 . 5.840 3.435 1.719 4.838 . 0 0 "[ . 1 . 2]" 1
201 1 31 GLU H 1 31 GLU HG2 4.760 . 4.760 3.019 2.087 4.647 . 0 0 "[ . 1 . 2]" 1
202 1 31 GLU H 1 31 GLU HG3 4.700 . 4.700 3.865 3.336 4.528 . 0 0 "[ . 1 . 2]" 1
203 1 29 LYS QB 1 31 GLU H 4.480 . 4.480 3.057 2.701 3.493 . 0 0 "[ . 1 . 2]" 1
204 1 30 ARG HB3 1 31 GLU H 4.270 . 4.270 4.029 3.365 4.269 . 0 0 "[ . 1 . 2]" 1
205 1 30 ARG HG2 1 31 GLU H 5.280 . 5.280 3.686 2.528 4.390 . 0 0 "[ . 1 . 2]" 1
206 1 30 ARG HG3 1 31 GLU H 5.810 . 5.810 2.687 2.129 3.378 . 0 0 "[ . 1 . 2]" 1
207 1 31 GLU H 1 32 LEU MD1 5.940 . 5.940 5.488 5.271 5.734 . 0 0 "[ . 1 . 2]" 1
208 1 32 LEU H 1 34 GLU H . . 5.340 4.235 3.964 4.540 . 0 0 "[ . 1 . 2]" 1
209 1 32 LEU H 1 49 PHE QE 6.070 . 6.070 6.256 6.164 6.336 0.266 2 0 "[ . 1 . 2]" 1
210 1 31 GLU HA 1 32 LEU H 4.960 . 4.960 3.480 3.435 3.527 . 0 0 "[ . 1 . 2]" 1
211 1 32 LEU H 1 33 PHE HA 6.150 . 6.150 4.855 4.709 5.065 . 0 0 "[ . 1 . 2]" 1
212 1 32 LEU H 1 33 PHE HB2 5.430 . 5.430 4.385 4.198 4.680 . 0 0 "[ . 1 . 2]" 1
213 1 31 GLU HG2 1 32 LEU H 5.340 . 5.340 2.942 2.365 4.585 . 0 0 "[ . 1 . 2]" 1
214 1 31 GLU HG3 1 32 LEU H 4.220 . 4.220 3.626 2.514 4.394 0.174 12 0 "[ . 1 . 2]" 1
215 1 31 GLU QB 1 32 LEU H 4.780 . 4.780 3.360 2.378 3.741 . 0 0 "[ . 1 . 2]" 1
216 1 29 LYS QB 1 32 LEU H 4.840 . 4.840 3.211 2.700 3.566 . 0 0 "[ . 1 . 2]" 1
217 1 32 LEU H 1 32 LEU HG 4.320 . 4.320 2.585 2.236 2.786 . 0 0 "[ . 1 . 2]" 1
218 1 93 LYS H 1 93 LYS HB3 4.030 . 4.030 3.616 3.548 3.691 . 0 0 "[ . 1 . 2]" 1
219 1 32 LEU H 1 32 LEU MD1 4.570 . 4.570 3.777 3.553 3.959 . 0 0 "[ . 1 . 2]" 1
220 1 33 PHE H 1 36 TRP HE1 6.150 . 6.150 4.163 4.011 4.464 . 0 0 "[ . 1 . 2]" 1
221 1 31 GLU H 1 33 PHE H 6.050 . 6.050 4.131 4.009 4.256 . 0 0 "[ . 1 . 2]" 1
222 1 33 PHE H 1 49 PHE QE 5.410 . 5.410 4.996 4.581 5.197 . 0 0 "[ . 1 . 2]" 1
223 1 32 LEU HA 1 33 PHE H 5.640 . 5.640 3.557 3.529 3.574 . 0 0 "[ . 1 . 2]" 1
224 1 26 ALA HA 1 33 PHE H 5.740 . 5.740 3.893 3.466 4.388 . 0 0 "[ . 1 . 2]" 1
225 1 33 PHE H 1 33 PHE HB2 4.290 . 4.290 2.433 2.368 2.489 . 0 0 "[ . 1 . 2]" 1
226 1 33 PHE H 1 33 PHE HB3 4.270 . 4.270 2.605 2.551 2.655 . 0 0 "[ . 1 . 2]" 1
227 1 29 LYS QB 1 33 PHE H 5.500 . 5.500 4.262 3.904 4.608 . 0 0 "[ . 1 . 2]" 1
228 1 32 LEU HG 1 33 PHE H 5.270 . 5.270 4.257 4.092 4.413 . 0 0 "[ . 1 . 2]" 1
229 1 32 LEU HB3 1 33 PHE H 5.110 . 5.110 3.752 3.577 3.924 . 0 0 "[ . 1 . 2]" 1
230 1 32 LEU MD1 1 33 PHE H 5.130 . 5.130 4.517 4.381 4.666 . 0 0 "[ . 1 . 2]" 1
231 1 34 GLU H 1 35 GLN H . . 4.430 2.765 2.609 2.849 . 0 0 "[ . 1 . 2]" 1
232 1 34 GLU H 1 49 PHE QE 5.220 . 5.220 5.271 5.024 5.372 0.152 18 0 "[ . 1 . 2]" 1
233 1 31 GLU HA 1 34 GLU H 5.730 . 5.730 4.634 4.142 5.112 . 0 0 "[ . 1 . 2]" 1
234 1 33 PHE HA 1 34 GLU H 5.810 . 5.810 3.597 3.566 3.614 . 0 0 "[ . 1 . 2]" 1
235 1 34 GLU H 1 35 GLN HG3 4.880 . 4.880 4.479 4.313 4.681 . 0 0 "[ . 1 . 2]" 1
236 1 34 GLU H 1 34 GLU HG2 4.190 . 4.190 2.730 1.971 3.565 . 0 0 "[ . 1 . 2]" 1
237 1 33 PHE HB3 1 34 GLU H 3.950 . 3.950 2.461 2.367 2.671 . 0 0 "[ . 1 . 2]" 1
238 1 34 GLU H 1 34 GLU HB3 4.380 . 4.380 2.799 2.579 2.929 . 0 0 "[ . 1 . 2]" 1
239 1 34 GLU H 1 37 PHE HB2 6.230 . 6.230 6.091 5.713 6.257 0.027 13 0 "[ . 1 . 2]" 1
240 1 34 GLU H 1 46 VAL MG2 5.210 . 5.210 3.338 3.025 3.763 . 0 0 "[ . 1 . 2]" 1
241 1 154 ASN HA 1 154 ASN HD21 3.780 . 3.780 3.024 1.998 3.597 . 0 0 "[ . 1 . 2]" 1
242 1 32 LEU HA 1 35 GLN HE21 4.590 . 4.590 2.125 1.624 3.579 . 0 0 "[ . 1 . 2]" 1
243 1 35 GLN HB2 1 35 GLN HE21 4.680 . 4.680 3.026 2.835 4.098 . 0 0 "[ . 1 . 2]" 1
244 1 34 GLU HG3 1 35 GLN HE21 6.170 . 6.170 5.205 4.762 5.805 . 0 0 "[ . 1 . 2]" 1
245 1 32 LEU MD2 1 35 GLN HE21 4.610 . 4.610 2.497 2.094 3.522 . 0 0 "[ . 1 . 2]" 1
246 1 143 ASN H 1 143 ASN HD21 5.400 . 5.400 4.257 2.536 4.802 . 0 0 "[ . 1 . 2]" 1
247 1 153 LEU H 1 154 ASN H 4.180 . 4.180 2.562 2.471 2.646 . 0 0 "[ . 1 . 2]" 1
248 1 35 GLN H 1 36 TRP H . . 4.040 2.471 2.213 2.759 . 0 0 "[ . 1 . 2]" 1
249 1 35 GLN H 1 37 PHE H . . 5.250 4.108 3.822 4.304 . 0 0 "[ . 1 . 2]" 1
250 1 34 GLU HA 1 35 GLN H 5.310 . 5.310 3.380 3.232 3.502 . 0 0 "[ . 1 . 2]" 1
251 1 35 GLN H 1 35 GLN HG3 . . 4.330 2.725 2.453 2.933 . 0 0 "[ . 1 . 2]" 1
252 1 34 GLU HG3 1 35 GLN H 4.910 . 4.910 3.401 2.989 3.730 . 0 0 "[ . 1 . 2]" 1
253 1 34 GLU HB3 1 35 GLN H 5.790 . 5.790 4.502 4.295 4.642 . 0 0 "[ . 1 . 2]" 1
254 1 35 GLN H 1 152 LEU MD1 5.650 . 5.650 4.543 4.229 4.992 . 0 0 "[ . 1 . 2]" 1
255 1 35 GLN H 1 152 LEU MD2 5.550 . 5.550 3.805 3.489 4.262 . 0 0 "[ . 1 . 2]" 1
256 1 154 ASN HA 1 154 ASN HD22 3.800 . 3.800 3.870 3.626 4.049 0.249 10 0 "[ . 1 . 2]" 1
257 1 32 LEU HA 1 35 GLN HE22 4.890 . 4.890 3.489 2.955 4.226 . 0 0 "[ . 1 . 2]" 1
258 1 150 GLU HG3 1 154 ASN HD22 4.830 . 4.830 3.257 2.519 4.291 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU MD2 1 35 GLN HE22 4.570 . 4.570 2.729 2.170 3.565 . 0 0 "[ . 1 . 2]" 1
260 1 36 TRP HE1 1 37 PHE H 6.250 . 6.250 4.353 4.086 4.557 . 0 0 "[ . 1 . 2]" 1
261 1 27 TYR HA 1 36 TRP HE1 5.630 . 5.630 3.837 3.273 4.610 . 0 0 "[ . 1 . 2]" 1
262 1 26 ALA HA 1 36 TRP HE1 5.430 . 5.430 3.488 3.161 3.914 . 0 0 "[ . 1 . 2]" 1
263 1 33 PHE HA 1 36 TRP HE1 4.110 . 4.110 1.928 1.813 2.067 . 0 0 "[ . 1 . 2]" 1
264 1 33 PHE HB2 1 36 TRP HE1 6.140 . 6.140 3.624 3.478 3.785 . 0 0 "[ . 1 . 2]" 1
265 1 26 ALA MB 1 36 TRP HE1 4.120 . 4.120 2.600 2.081 3.086 . 0 0 "[ . 1 . 2]" 1
266 1 36 TRP HE1 1 152 LEU MD2 5.200 . 5.200 4.002 3.815 4.336 . 0 0 "[ . 1 . 2]" 1
267 1 36 TRP HE1 1 149 LEU MD1 5.240 . 5.240 3.445 3.215 3.906 . 0 0 "[ . 1 . 2]" 1
268 1 34 GLU H 1 36 TRP H 5.780 . 5.780 4.481 4.337 4.598 . 0 0 "[ . 1 . 2]" 1
269 1 36 TRP H 1 37 PHE H 3.800 . 3.800 2.223 2.076 2.333 . 0 0 "[ . 1 . 2]" 1
270 1 35 GLN HA 1 36 TRP H 5.250 . 5.250 3.527 3.405 3.576 . 0 0 "[ . 1 . 2]" 1
271 1 33 PHE HA 1 36 TRP H 5.920 . 5.920 3.848 3.643 4.068 . 0 0 "[ . 1 . 2]" 1
272 1 35 GLN HB2 1 36 TRP H 4.540 . 4.540 3.148 2.912 3.562 . 0 0 "[ . 1 . 2]" 1
273 1 36 TRP H 1 37 PHE HB2 5.750 . 5.750 4.610 4.484 4.724 . 0 0 "[ . 1 . 2]" 1
274 1 52 THR H 1 52 THR MG 4.290 . 4.290 2.541 2.001 2.769 . 0 0 "[ . 1 . 2]" 1
275 1 36 TRP H 1 152 LEU MD2 5.210 . 5.210 3.264 2.977 3.776 . 0 0 "[ . 1 . 2]" 1
276 1 36 TRP H 1 44 VAL MG1 . . 6.180 4.508 3.991 4.950 . 0 0 "[ . 1 . 2]" 1
277 1 36 TRP H 1 37 PHE HB3 5.530 . 5.530 4.561 4.325 4.707 . 0 0 "[ . 1 . 2]" 1
278 1 37 PHE H 1 38 HIS H 5.730 . 5.730 4.023 3.933 4.107 . 0 0 "[ . 1 . 2]" 1
279 1 37 PHE H 1 38 HIS HD2 . . 5.530 3.733 3.282 4.205 . 0 0 "[ . 1 . 2]" 1
280 1 37 PHE H 1 37 PHE QD . . 4.950 4.278 4.260 4.290 . 0 0 "[ . 1 . 2]" 1
281 1 36 TRP HA 1 37 PHE H 5.670 . 5.670 3.585 3.562 3.605 . 0 0 "[ . 1 . 2]" 1
282 1 35 GLN HB2 1 37 PHE H 6.070 . 6.070 5.344 5.106 5.551 . 0 0 "[ . 1 . 2]" 1
283 1 37 PHE H 1 37 PHE HB2 4.370 . 4.370 2.578 2.487 2.626 . 0 0 "[ . 1 . 2]" 1
284 1 37 PHE H 1 145 THR MG 5.320 . 5.320 4.313 4.027 4.765 . 0 0 "[ . 1 . 2]" 1
285 1 37 PHE H 1 44 VAL MG1 5.240 . 5.240 3.877 3.351 4.275 . 0 0 "[ . 1 . 2]" 1
286 1 37 PHE H 1 37 PHE HB3 4.260 . 4.260 2.604 2.550 2.651 . 0 0 "[ . 1 . 2]" 1
287 1 38 HIS H 1 38 HIS HD2 5.760 . 5.760 3.665 3.094 4.373 . 0 0 "[ . 1 . 2]" 1
288 1 37 PHE QD 1 38 HIS H 6.020 . 6.020 4.459 4.355 4.571 . 0 0 "[ . 1 . 2]" 1
289 1 36 TRP HA 1 38 HIS H . . 5.620 4.644 4.489 4.844 . 0 0 "[ . 1 . 2]" 1
290 1 38 HIS H 1 145 THR HA . . 5.480 4.493 3.726 5.242 . 0 0 "[ . 1 . 2]" 1
291 1 37 PHE HA 1 38 HIS H 3.920 . 3.920 2.308 2.241 2.392 . 0 0 "[ . 1 . 2]" 1
292 1 38 HIS H 1 145 THR MG 4.170 . 4.170 2.321 1.821 3.057 . 0 0 "[ . 1 . 2]" 1
293 1 37 PHE HB3 1 38 HIS H 5.920 . 5.920 4.509 4.478 4.535 . 0 0 "[ . 1 . 2]" 1
294 1 42 ALA H 1 43 SER H 5.230 . 5.230 4.449 4.144 4.598 . 0 0 "[ . 1 . 2]" 1
295 1 41 ASP HA 1 42 ALA H 4.560 . 4.560 3.200 2.398 3.571 . 0 0 "[ . 1 . 2]" 1
296 1 41 ASP HB2 1 42 ALA H 5.970 . 5.970 3.863 2.720 4.562 . 0 0 "[ . 1 . 2]" 1
297 1 41 ASP HB3 1 42 ALA H 6.210 . 6.210 4.137 2.770 4.517 . 0 0 "[ . 1 . 2]" 1
298 1 151 LYS QB 1 152 LEU H 3.760 . 3.760 2.740 2.356 3.601 . 0 0 "[ . 1 . 2]" 1
299 1 43 SER H 1 62 GLN H 4.570 . 4.570 4.124 3.707 4.451 . 0 0 "[ . 1 . 2]" 1
300 1 43 SER H 1 63 ALA H 6.290 . 6.290 5.032 4.794 5.198 . 0 0 "[ . 1 . 2]" 1
301 1 42 ALA HA 1 43 SER H 3.870 . 3.870 2.236 2.146 2.556 . 0 0 "[ . 1 . 2]" 1
302 1 43 SER H 1 62 GLN HB3 5.280 . 5.280 3.776 2.891 4.780 . 0 0 "[ . 1 . 2]" 1
303 1 39 PRO QG 1 43 SER H 5.310 . 5.310 5.162 4.480 5.425 0.115 12 0 "[ . 1 . 2]" 1
304 1 43 SER H 1 63 ALA MB . . 5.640 4.711 4.258 5.424 . 0 0 "[ . 1 . 2]" 1
305 1 42 ALA MB 1 43 SER H 3.870 . 3.870 2.778 2.124 3.078 . 0 0 "[ . 1 . 2]" 1
306 1 43 SER H 1 61 ILE MG 5.130 . 5.130 4.352 3.824 4.819 . 0 0 "[ . 1 . 2]" 1
307 1 61 ILE H 1 68 SER H 4.240 . 4.240 3.548 2.954 4.015 . 0 0 "[ . 1 . 2]" 1
308 1 43 SER HA 1 44 VAL H 3.830 . 3.830 2.614 2.523 2.708 . 0 0 "[ . 1 . 2]" 1
309 1 43 SER HB2 1 44 VAL H 4.330 . 4.330 3.138 2.085 3.717 . 0 0 "[ . 1 . 2]" 1
310 1 96 LYS H 1 96 LYS HE3 4.860 . 4.860 3.066 1.806 4.011 . 0 0 "[ . 1 . 2]" 1
311 1 44 VAL H 1 44 VAL HB 4.160 . 4.160 3.387 3.276 3.480 . 0 0 "[ . 1 . 2]" 1
312 1 96 LYS H 1 96 LYS HG2 4.230 . 4.230 3.797 3.487 4.033 . 0 0 "[ . 1 . 2]" 1
313 1 44 VAL H 1 44 VAL MG1 4.020 . 4.020 2.352 2.253 2.441 . 0 0 "[ . 1 . 2]" 1
314 1 44 VAL HA 1 45 THR H 3.830 . 3.830 2.214 2.137 2.312 . 0 0 "[ . 1 . 2]" 1
315 1 76 GLN HA 1 77 VAL H 3.530 . 3.530 2.174 2.092 2.255 . 0 0 "[ . 1 . 2]" 1
316 1 76 GLN HB2 1 77 VAL H 4.920 . 4.920 4.392 4.130 4.561 . 0 0 "[ . 1 . 2]" 1
317 1 53 LYS HB2 1 77 VAL H 4.660 . 4.660 3.697 1.917 4.839 0.179 7 0 "[ . 1 . 2]" 1
318 1 45 THR H 1 60 ALA MB . . 4.840 3.570 3.273 3.883 . 0 0 "[ . 1 . 2]" 1
319 1 44 VAL MG2 1 45 THR H 4.210 . 4.210 2.628 2.212 3.385 . 0 0 "[ . 1 . 2]" 1
320 1 44 VAL MG1 1 45 THR H 4.710 . 4.710 4.034 3.701 4.345 . 0 0 "[ . 1 . 2]" 1
321 1 45 THR HA 1 46 VAL H 3.690 . 3.690 2.201 2.153 2.237 . 0 0 "[ . 1 . 2]" 1
322 1 45 THR HB 1 46 VAL H 5.690 . 5.690 4.394 4.119 4.502 . 0 0 "[ . 1 . 2]" 1
323 1 46 VAL H 1 46 VAL HB 4.140 . 4.140 2.606 2.502 2.710 . 0 0 "[ . 1 . 2]" 1
324 1 46 VAL H 1 46 VAL MG2 4.090 . 4.090 2.317 2.219 2.431 . 0 0 "[ . 1 . 2]" 1
325 1 45 THR MG 1 46 VAL H 4.360 . 4.360 3.204 2.566 4.242 . 0 0 "[ . 1 . 2]" 1
326 1 47 TYR H 1 48 ASP H . . 3.960 2.431 2.078 2.642 . 0 0 "[ . 1 . 2]" 1
327 1 47 TYR H 1 47 TYR QD . . 5.080 2.354 1.981 2.758 . 0 0 "[ . 1 . 2]" 1
328 1 47 TYR H 1 59 TYR HA 4.800 . 4.800 2.445 2.262 2.645 . 0 0 "[ . 1 . 2]" 1
329 1 46 VAL HA 1 47 TYR H 4.250 . 4.250 2.162 2.141 2.180 . 0 0 "[ . 1 . 2]" 1
330 1 47 TYR H 1 59 TYR QB 5.120 . 5.120 3.593 3.345 4.051 . 0 0 "[ . 1 . 2]" 1
331 1 46 VAL HB 1 47 TYR H 6.090 . 6.090 4.329 4.189 4.434 . 0 0 "[ . 1 . 2]" 1
332 1 46 VAL MG1 1 47 TYR H 4.550 . 4.550 3.038 2.709 3.295 . 0 0 "[ . 1 . 2]" 1
333 1 48 ASP H 1 58 PHE H 4.350 . 4.350 3.343 2.818 3.703 . 0 0 "[ . 1 . 2]" 1
334 1 152 LEU H 1 153 LEU H . . 4.350 2.840 2.691 2.947 . 0 0 "[ . 1 . 2]" 1
335 1 47 TYR HA 1 48 ASP H . . 5.450 3.533 3.439 3.590 . 0 0 "[ . 1 . 2]" 1
336 1 150 GLU HA 1 153 LEU H 5.610 . 5.610 3.644 3.370 4.080 . 0 0 "[ . 1 . 2]" 1
337 1 53 LYS HA 1 54 GLY H 3.900 . 3.900 2.243 2.116 2.974 . 0 0 "[ . 1 . 2]" 1
338 1 47 TYR HB2 1 48 ASP H 4.890 . 4.890 2.680 2.304 3.140 . 0 0 "[ . 1 . 2]" 1
339 1 48 ASP H 1 58 PHE HB3 4.910 . 4.910 3.133 2.765 3.551 . 0 0 "[ . 1 . 2]" 1
340 1 48 ASP H 1 59 TYR QB 5.650 . 5.650 4.573 4.221 4.964 . 0 0 "[ . 1 . 2]" 1
341 1 47 TYR HB3 1 48 ASP H 4.610 . 4.610 3.729 3.404 4.119 . 0 0 "[ . 1 . 2]" 1
342 1 152 LEU HG 1 153 LEU H 4.080 . 4.080 3.135 2.935 3.343 . 0 0 "[ . 1 . 2]" 1
343 1 46 VAL MG1 1 48 ASP H 4.180 . 4.180 2.705 2.222 3.068 . 0 0 "[ . 1 . 2]" 1
344 1 153 LEU H 1 153 LEU MD2 4.940 . 4.940 3.335 3.182 3.480 . 0 0 "[ . 1 . 2]" 1
345 1 153 LEU H 1 153 LEU MD1 4.850 . 4.850 3.555 3.383 3.670 . 0 0 "[ . 1 . 2]" 1
346 1 149 LEU MD1 1 153 LEU H 5.300 . 5.300 3.732 3.459 4.002 . 0 0 "[ . 1 . 2]" 1
347 1 50 ASN HD21 1 55 GLY HA3 5.270 . 5.270 4.021 2.517 5.428 0.158 1 0 "[ . 1 . 2]" 1
348 1 50 ASN HD21 1 55 GLY HA2 5.690 . 5.690 3.411 2.243 5.763 0.073 1 0 "[ . 1 . 2]" 1
349 1 50 ASN HD21 1 52 THR MG 5.380 . 5.380 3.682 2.511 4.631 . 0 0 "[ . 1 . 2]" 1
350 1 50 ASN H 1 58 PHE H 6.100 . 6.100 4.934 4.215 5.353 . 0 0 "[ . 1 . 2]" 1
351 1 49 PHE QD 1 50 ASN H 5.830 . 5.830 3.285 2.544 3.941 . 0 0 "[ . 1 . 2]" 1
352 1 50 ASN H 1 74 TYR QE 5.820 . 5.820 3.977 3.299 4.616 . 0 0 "[ . 1 . 2]" 1
353 1 50 ASN H 1 57 ALA HA . . 4.010 2.930 2.401 3.333 . 0 0 "[ . 1 . 2]" 1
354 1 49 PHE HA 1 50 ASN H 3.790 . 3.790 2.167 2.116 2.200 . 0 0 "[ . 1 . 2]" 1
355 1 49 PHE HB3 1 50 ASN H 5.300 . 5.300 4.146 3.970 4.345 . 0 0 "[ . 1 . 2]" 1
356 1 50 ASN H 1 57 ALA MB 4.680 . 4.680 2.594 2.313 2.923 . 0 0 "[ . 1 . 2]" 1
357 1 50 ASN H 1 51 ALA MB 6.120 . 6.120 4.368 4.098 4.605 . 0 0 "[ . 1 . 2]" 1
358 1 50 ASN HD22 1 55 GLY HA3 5.710 . 5.710 4.188 3.275 5.087 . 0 0 "[ . 1 . 2]" 1
359 1 50 ASN HD22 1 55 GLY HA2 5.800 . 5.800 3.775 2.894 5.227 . 0 0 "[ . 1 . 2]" 1
360 1 50 ASN HD22 1 52 THR MG 4.960 . 4.960 2.729 2.110 3.669 . 0 0 "[ . 1 . 2]" 1
361 1 51 ALA H 1 52 THR H . . 5.440 3.875 2.154 4.245 . 0 0 "[ . 1 . 2]" 1
362 1 49 PHE QD 1 51 ALA H 5.620 . 5.620 3.256 2.791 3.854 . 0 0 "[ . 1 . 2]" 1
363 1 50 ASN HA 1 51 ALA H 3.630 . 3.630 2.199 2.172 2.227 . 0 0 "[ . 1 . 2]" 1
364 1 28 THR HA 1 51 ALA H 5.690 . 5.690 4.590 3.562 5.197 . 0 0 "[ . 1 . 2]" 1
365 1 50 ASN HB2 1 51 ALA H 5.440 . 5.440 4.503 4.289 4.606 . 0 0 "[ . 1 . 2]" 1
366 1 51 ALA H 1 52 THR MG 5.700 . 5.700 4.023 3.012 4.568 . 0 0 "[ . 1 . 2]" 1
367 1 52 THR H 1 55 GLY H . . 5.250 3.452 3.021 4.346 . 0 0 "[ . 1 . 2]" 1
368 1 52 THR H 1 74 TYR QD 5.480 . 5.480 4.114 3.192 5.583 0.103 5 0 "[ . 1 . 2]" 1
369 1 52 THR H 1 55 GLY HA3 5.390 . 5.390 2.684 2.191 3.287 . 0 0 "[ . 1 . 2]" 1
370 1 52 THR H 1 55 GLY HA2 4.980 . 4.980 4.288 3.821 4.778 . 0 0 "[ . 1 . 2]" 1
371 1 52 THR H 1 74 TYR HB2 5.480 . 5.480 2.881 2.357 4.589 . 0 0 "[ . 1 . 2]" 1
372 1 51 ALA HA 1 52 THR H 3.700 . 3.700 2.256 2.119 3.058 . 0 0 "[ . 1 . 2]" 1
373 1 52 THR H 1 77 VAL MG2 5.250 . 5.250 3.329 2.730 4.761 . 0 0 "[ . 1 . 2]" 1
374 1 51 ALA MB 1 52 THR H 4.600 . 4.600 3.545 3.369 3.737 . 0 0 "[ . 1 . 2]" 1
375 1 53 LYS H 1 54 GLY H 6.160 . 6.160 4.125 2.834 4.486 . 0 0 "[ . 1 . 2]" 1
376 1 53 LYS H 1 76 GLN HA 5.430 . 5.430 4.562 3.818 5.321 . 0 0 "[ . 1 . 2]" 1
377 1 52 THR HA 1 53 LYS H 4.620 . 4.620 2.533 2.187 2.778 . 0 0 "[ . 1 . 2]" 1
378 1 52 THR HB 1 53 LYS H 4.960 . 4.960 3.953 3.641 4.667 . 0 0 "[ . 1 . 2]" 1
379 1 53 LYS H 1 77 VAL HB 5.520 . 5.520 3.182 1.927 4.195 . 0 0 "[ . 1 . 2]" 1
380 1 52 THR MG 1 53 LYS H 5.490 . 5.490 3.486 2.883 4.391 . 0 0 "[ . 1 . 2]" 1
381 1 53 LYS H 1 77 VAL MG2 5.350 . 5.350 3.781 2.129 4.752 . 0 0 "[ . 1 . 2]" 1
382 1 54 GLY H 1 55 GLY H . . 4.260 2.400 1.981 2.593 . 0 0 "[ . 1 . 2]" 1
383 1 54 GLY H 1 75 LEU HA 5.570 . 5.570 3.162 2.436 3.853 . 0 0 "[ . 1 . 2]" 1
384 1 53 LYS QD 1 54 GLY H 5.300 . 5.300 4.747 3.060 5.553 0.253 1 0 "[ . 1 . 2]" 1
385 1 55 GLY H 1 56 SER H . . 5.190 4.507 4.427 4.662 . 0 0 "[ . 1 . 2]" 1
386 1 54 GLY HA2 1 55 GLY H 4.090 . 4.090 2.948 2.732 3.133 . 0 0 "[ . 1 . 2]" 1
387 1 54 GLY HA3 1 55 GLY H 5.180 . 5.180 3.522 3.434 3.592 . 0 0 "[ . 1 . 2]" 1
388 1 53 LYS HA 1 55 GLY H 5.330 . 5.330 3.927 3.516 4.931 . 0 0 "[ . 1 . 2]" 1
389 1 55 GLY H 1 74 TYR HB2 4.900 . 4.900 2.831 2.323 3.279 . 0 0 "[ . 1 . 2]" 1
390 1 55 GLY H 1 74 TYR HB3 5.580 . 5.580 3.789 3.421 4.230 . 0 0 "[ . 1 . 2]" 1
391 1 52 THR MG 1 55 GLY H 5.010 . 5.010 3.500 2.719 5.015 0.005 5 0 "[ . 1 . 2]" 1
392 1 56 SER H 1 57 ALA H 5.660 . 5.660 4.363 4.262 4.432 . 0 0 "[ . 1 . 2]" 1
393 1 56 SER H 1 74 TYR QD 5.120 . 5.120 3.552 2.938 4.242 . 0 0 "[ . 1 . 2]" 1
394 1 56 SER H 1 74 TYR QE 5.820 . 5.820 5.058 4.176 5.860 0.040 7 0 "[ . 1 . 2]" 1
395 1 55 GLY HA3 1 56 SER H 4.010 . 4.010 2.551 2.474 2.806 . 0 0 "[ . 1 . 2]" 1
396 1 55 GLY HA2 1 56 SER H 4.060 . 4.060 2.617 2.404 2.714 . 0 0 "[ . 1 . 2]" 1
397 1 50 ASN HB2 1 56 SER H 4.160 . 4.160 3.859 3.344 4.225 0.065 4 0 "[ . 1 . 2]" 1
398 1 51 ALA HA 1 56 SER H 6.120 . 6.120 4.536 4.176 4.939 . 0 0 "[ . 1 . 2]" 1
399 1 52 THR MG 1 56 SER H 5.470 . 5.470 4.476 3.850 5.580 0.110 7 0 "[ . 1 . 2]" 1
400 1 57 ALA H 1 72 ALA H 4.530 . 4.530 3.178 2.808 3.551 . 0 0 "[ . 1 . 2]" 1
401 1 57 ALA H 1 74 TYR QD . . 5.620 3.729 2.889 4.295 . 0 0 "[ . 1 . 2]" 1
402 1 57 ALA H 1 74 TYR QE 5.260 . 5.260 3.546 2.832 4.336 . 0 0 "[ . 1 . 2]" 1
403 1 56 SER HA 1 57 ALA H 4.050 . 4.050 2.337 2.200 2.456 . 0 0 "[ . 1 . 2]" 1
404 1 57 ALA H 1 71 ILE HA 5.910 . 5.910 4.340 3.832 5.050 . 0 0 "[ . 1 . 2]" 1
405 1 56 SER QB 1 57 ALA H 4.150 . 4.150 2.733 2.303 3.529 . 0 0 "[ . 1 . 2]" 1
406 1 57 ALA H 1 72 ALA MB . . 4.410 3.683 3.262 4.086 . 0 0 "[ . 1 . 2]" 1
407 1 57 ALA H 1 71 ILE MG . . 5.020 2.871 2.281 4.142 . 0 0 "[ . 1 . 2]" 1
408 1 58 PHE H 1 59 TYR QD 5.600 . 5.600 4.391 4.065 4.743 . 0 0 "[ . 1 . 2]" 1
409 1 108 ASN HA 1 109 PHE H 3.810 . 3.810 2.261 2.131 2.413 . 0 0 "[ . 1 . 2]" 1
410 1 57 ALA HA 1 58 PHE H 3.940 . 3.940 2.205 2.162 2.305 . 0 0 "[ . 1 . 2]" 1
411 1 49 PHE HA 1 58 PHE H 5.350 . 5.350 3.576 3.092 3.840 . 0 0 "[ . 1 . 2]" 1
412 1 48 ASP QB 1 58 PHE H 4.650 . 4.650 2.686 1.855 3.632 . 0 0 "[ . 1 . 2]" 1
413 1 49 PHE HB3 1 58 PHE H 6.130 . 6.130 6.133 5.828 6.288 0.158 12 0 "[ . 1 . 2]" 1
414 1 57 ALA MB 1 58 PHE H 4.270 . 4.270 3.253 2.671 3.490 . 0 0 "[ . 1 . 2]" 1
415 1 58 PHE QD 1 59 TYR H 4.420 . 4.420 2.937 2.178 3.806 . 0 0 "[ . 1 . 2]" 1
416 1 58 PHE QE 1 59 TYR H 5.990 . 5.990 4.402 3.844 4.963 . 0 0 "[ . 1 . 2]" 1
417 1 59 TYR H 1 59 TYR QD 4.960 . 4.960 2.953 2.760 3.111 . 0 0 "[ . 1 . 2]" 1
418 1 58 PHE HA 1 59 TYR H 3.990 . 3.990 2.156 2.123 2.213 . 0 0 "[ . 1 . 2]" 1
419 1 58 PHE HB2 1 59 TYR H 5.800 . 5.800 4.311 4.135 4.434 . 0 0 "[ . 1 . 2]" 1
420 1 59 TYR H 1 70 THR HB 5.530 . 5.530 4.574 4.190 4.983 . 0 0 "[ . 1 . 2]" 1
421 1 59 TYR QD 1 60 ALA H 5.030 . 5.030 3.253 2.867 3.584 . 0 0 "[ . 1 . 2]" 1
422 1 47 TYR QE 1 60 ALA H . . 5.340 3.533 3.019 4.212 . 0 0 "[ . 1 . 2]" 1
423 1 59 TYR HA 1 60 ALA H 4.030 . 4.030 2.540 2.443 2.655 . 0 0 "[ . 1 . 2]" 1
424 1 46 VAL HA 1 60 ALA H 5.190 . 5.190 3.556 3.309 3.810 . 0 0 "[ . 1 . 2]" 1
425 1 45 THR HB 1 60 ALA H 5.340 . 5.340 3.954 3.587 5.212 . 0 0 "[ . 1 . 2]" 1
426 1 59 TYR QB 1 60 ALA H 4.260 . 4.260 2.220 2.069 2.376 . 0 0 "[ . 1 . 2]" 1
427 1 70 THR H 1 70 THR HB 4.330 . 4.330 2.999 2.786 3.097 . 0 0 "[ . 1 . 2]" 1
428 1 44 VAL MG2 1 60 ALA H 4.750 . 4.750 2.932 2.595 3.232 . 0 0 "[ . 1 . 2]" 1
429 1 45 THR MG 1 60 ALA H 5.240 . 5.240 4.496 2.846 5.030 . 0 0 "[ . 1 . 2]" 1
430 1 61 ILE H 1 69 TYR H 5.110 . 5.110 4.949 4.462 5.134 0.024 15 0 "[ . 1 . 2]" 1
431 1 60 ALA HA 1 61 ILE H 3.910 . 3.910 2.180 2.145 2.228 . 0 0 "[ . 1 . 2]" 1
432 1 61 ILE H 1 67 ILE HA 5.890 . 5.890 5.019 4.718 5.424 . 0 0 "[ . 1 . 2]" 1
433 1 61 ILE H 1 68 SER QB . . 5.420 3.832 3.163 4.743 . 0 0 "[ . 1 . 2]" 1
434 1 61 ILE H 1 61 ILE HB 4.280 . 4.280 2.474 2.400 2.528 . 0 0 "[ . 1 . 2]" 1
435 1 61 ILE H 1 61 ILE HG13 5.220 . 5.220 3.753 3.696 3.881 . 0 0 "[ . 1 . 2]" 1
436 1 60 ALA MB 1 61 ILE H . . 4.070 3.071 2.917 3.204 . 0 0 "[ . 1 . 2]" 1
437 1 62 GLN HE21 1 63 ALA H 5.940 . 5.940 4.069 2.677 5.118 . 0 0 "[ . 1 . 2]" 1
438 1 62 GLN HA 1 62 GLN HE21 3.800 . 3.800 2.918 2.187 3.641 . 0 0 "[ . 1 . 2]" 1
439 1 62 GLN HE21 1 67 ILE MD 6.140 . 6.140 2.926 1.921 4.197 . 0 0 "[ . 1 . 2]" 1
440 1 62 GLN HE21 1 67 ILE MG 5.820 . 5.820 3.524 2.512 4.288 . 0 0 "[ . 1 . 2]" 1
441 1 78 ASP H 1 79 ALA H 5.330 . 5.330 4.013 3.671 4.199 . 0 0 "[ . 1 . 2]" 1
442 1 61 ILE H 1 62 GLN H 5.390 . 5.390 4.313 4.209 4.397 . 0 0 "[ . 1 . 2]" 1
443 1 78 ASP HA 1 79 ALA H 3.590 . 3.590 2.191 2.151 2.250 . 0 0 "[ . 1 . 2]" 1
444 1 61 ILE HA 1 62 GLN H 3.840 . 3.840 2.171 2.141 2.189 . 0 0 "[ . 1 . 2]" 1
445 1 78 ASP HB2 1 79 ALA H 5.280 . 5.280 4.495 4.353 4.624 . 0 0 "[ . 1 . 2]" 1
446 1 78 ASP HB3 1 79 ALA H 5.750 . 5.750 4.343 3.793 4.555 . 0 0 "[ . 1 . 2]" 1
447 1 61 ILE MG 1 62 GLN H . . 4.420 3.282 3.153 3.420 . 0 0 "[ . 1 . 2]" 1
448 1 62 GLN HA 1 62 GLN HE22 3.810 . 3.810 3.849 3.580 4.138 0.328 13 0 "[ . 1 . 2]" 1
449 1 62 GLN HE22 1 67 ILE HB 6.110 . 6.110 5.547 4.429 6.178 0.068 9 0 "[ . 1 . 2]" 1
450 1 62 GLN HE22 1 67 ILE MD 5.760 . 5.760 3.069 1.678 3.976 . 0 0 "[ . 1 . 2]" 1
451 1 62 GLN HE22 1 67 ILE MG 5.960 . 5.960 4.082 1.946 5.481 . 0 0 "[ . 1 . 2]" 1
452 1 63 ALA H 1 66 MET H . . 4.990 3.976 3.669 5.010 0.020 2 0 "[ . 1 . 2]" 1
453 1 63 ALA H 1 67 ILE HA 4.620 . 4.620 2.843 2.592 3.132 . 0 0 "[ . 1 . 2]" 1
454 1 62 GLN HA 1 63 ALA H 3.630 . 3.630 2.221 2.196 2.248 . 0 0 "[ . 1 . 2]" 1
455 1 63 ALA H 1 64 PRO HD3 6.300 . 6.300 5.175 4.846 5.458 . 0 0 "[ . 1 . 2]" 1
456 1 63 ALA H 1 66 MET QG . . 5.990 4.360 3.618 5.200 . 0 0 "[ . 1 . 2]" 1
457 1 62 GLN HB3 1 63 ALA H 4.860 . 4.860 4.183 3.908 4.386 . 0 0 "[ . 1 . 2]" 1
458 1 62 GLN HB2 1 63 ALA H 5.330 . 5.330 4.583 4.372 4.722 . 0 0 "[ . 1 . 2]" 1
459 1 42 ALA MB 1 63 ALA H 6.170 . 6.170 3.987 3.580 4.256 . 0 0 "[ . 1 . 2]" 1
460 1 63 ALA H 1 67 ILE MG 5.400 . 5.400 4.127 3.328 4.545 . 0 0 "[ . 1 . 2]" 1
461 1 65 GLN H 1 66 MET H 4.640 . 4.640 2.187 1.916 2.397 . 0 0 "[ . 1 . 2]" 1
462 1 64 PRO HA 1 65 GLN H 4.570 . 4.570 3.502 3.115 3.606 . 0 0 "[ . 1 . 2]" 1
463 1 64 PRO HD3 1 65 GLN H 6.090 . 6.090 4.292 4.081 4.553 . 0 0 "[ . 1 . 2]" 1
464 1 64 PRO HG2 1 65 GLN H 4.810 . 4.810 3.517 2.447 4.613 . 0 0 "[ . 1 . 2]" 1
465 1 64 PRO HB3 1 65 GLN H 5.250 . 5.250 4.325 3.862 4.738 . 0 0 "[ . 1 . 2]" 1
466 1 63 ALA MB 1 65 GLN H 5.340 . 5.340 2.943 2.625 3.510 . 0 0 "[ . 1 . 2]" 1
467 1 66 MET H 1 67 ILE H 5.570 . 5.570 4.402 4.219 4.631 . 0 0 "[ . 1 . 2]" 1
468 1 65 GLN HA 1 66 MET H 4.790 . 4.790 3.383 2.980 3.613 . 0 0 "[ . 1 . 2]" 1
469 1 64 PRO HA 1 66 MET H 6.020 . 6.020 4.729 4.374 5.593 . 0 0 "[ . 1 . 2]" 1
470 1 66 MET H 1 66 MET QG 4.910 . 4.910 3.312 2.008 4.265 . 0 0 "[ . 1 . 2]" 1
471 1 63 ALA MB 1 66 MET H 4.550 . 4.550 2.631 2.160 3.209 . 0 0 "[ . 1 . 2]" 1
472 1 68 SER H 1 69 TYR H 5.380 . 5.380 4.509 4.339 4.604 . 0 0 "[ . 1 . 2]" 1
473 1 95 GLU HA 1 96 LYS H 3.630 . 3.630 3.097 2.465 3.620 . 0 0 "[ . 1 . 2]" 1
474 1 87 ASP H 1 87 ASP HB3 4.360 . 4.360 2.592 2.448 2.814 . 0 0 "[ . 1 . 2]" 1
475 1 61 ILE HB 1 68 SER H 4.650 . 4.650 3.155 2.827 3.662 . 0 0 "[ . 1 . 2]" 1
476 1 96 LYS H 1 96 LYS QB 3.760 . 3.760 2.889 2.230 3.369 . 0 0 "[ . 1 . 2]" 1
477 1 86 LEU HB3 1 87 ASP H 5.050 . 5.050 3.441 2.672 3.548 . 0 0 "[ . 1 . 2]" 1
478 1 71 ILE MD 1 96 LYS H 5.130 . 5.130 3.880 2.763 4.937 . 0 0 "[ . 1 . 2]" 1
479 1 69 TYR H 1 69 TYR QD 4.540 . 4.540 2.354 1.897 3.058 . 0 0 "[ . 1 . 2]" 1
480 1 69 TYR H 1 69 TYR QE . . 5.520 4.393 4.038 4.815 . 0 0 "[ . 1 . 2]" 1
481 1 90 ALA HA 1 97 ASP H 4.380 . 4.380 3.048 2.510 3.452 . 0 0 "[ . 1 . 2]" 1
482 1 68 SER HA 1 69 TYR H 3.660 . 3.660 2.261 2.153 2.497 . 0 0 "[ . 1 . 2]" 1
483 1 96 LYS HA 1 97 ASP H 3.810 . 3.810 2.435 2.229 2.634 . 0 0 "[ . 1 . 2]" 1
484 1 68 SER QB 1 69 TYR H 4.420 . 4.420 3.177 2.508 3.758 . 0 0 "[ . 1 . 2]" 1
485 1 69 TYR H 1 69 TYR HB2 4.190 . 4.190 2.616 2.442 2.866 . 0 0 "[ . 1 . 2]" 1
486 1 96 LYS QB 1 97 ASP H 4.870 . 4.870 2.511 2.232 2.758 . 0 0 "[ . 1 . 2]" 1
487 1 91 THR MG 1 97 ASP H 5.430 . 5.430 4.357 3.567 4.899 . 0 0 "[ . 1 . 2]" 1
488 1 96 LYS HG3 1 97 ASP H 5.680 . 5.680 4.348 3.886 5.160 . 0 0 "[ . 1 . 2]" 1
489 1 69 TYR QD 1 70 THR H 5.810 . 5.810 4.300 4.121 4.465 . 0 0 "[ . 1 . 2]" 1
490 1 71 ILE H 1 88 TYR H . . 4.950 3.800 3.146 4.249 . 0 0 "[ . 1 . 2]" 1
491 1 70 THR H 1 71 ILE H 5.500 . 5.500 4.246 4.121 4.390 . 0 0 "[ . 1 . 2]" 1
492 1 70 THR HA 1 71 ILE H 3.900 . 3.900 2.223 2.151 2.366 . 0 0 "[ . 1 . 2]" 1
493 1 71 ILE H 1 88 TYR HB3 6.200 . 6.200 4.357 4.011 5.031 . 0 0 "[ . 1 . 2]" 1
494 1 71 ILE H 1 88 TYR HB2 5.740 . 5.740 3.674 3.293 3.916 . 0 0 "[ . 1 . 2]" 1
495 1 70 THR HB 1 71 ILE H 6.090 . 6.090 4.104 3.739 4.280 . 0 0 "[ . 1 . 2]" 1
496 1 71 ILE H 1 90 ALA MB 4.860 . 4.860 2.968 2.355 3.860 . 0 0 "[ . 1 . 2]" 1
497 1 70 THR MG 1 71 ILE H 4.110 . 4.110 2.557 2.108 2.793 . 0 0 "[ . 1 . 2]" 1
498 1 58 PHE HA 1 72 ALA H 5.930 . 5.930 3.983 3.401 4.450 . 0 0 "[ . 1 . 2]" 1
499 1 71 ILE HA 1 72 ALA H 3.940 . 3.940 2.227 2.178 2.295 . 0 0 "[ . 1 . 2]" 1
500 1 56 SER QB 1 72 ALA H 5.990 . 5.990 5.084 4.379 6.034 0.044 18 0 "[ . 1 . 2]" 1
501 1 57 ALA MB 1 72 ALA H 4.960 . 4.960 3.034 2.607 3.460 . 0 0 "[ . 1 . 2]" 1
502 1 71 ILE MG 1 72 ALA H . . 4.400 2.875 2.493 3.170 . 0 0 "[ . 1 . 2]" 1
503 1 72 ALA H 1 73 GLU H 6.000 . 6.000 4.341 4.166 4.417 . 0 0 "[ . 1 . 2]" 1
504 1 73 GLU H 1 86 LEU H 4.830 . 4.830 3.078 2.601 4.069 . 0 0 "[ . 1 . 2]" 1
505 1 73 GLU H 1 88 TYR QD 5.990 . 5.990 3.253 2.824 3.920 . 0 0 "[ . 1 . 2]" 1
506 1 73 GLU H 1 88 TYR QE . . 5.670 4.361 3.783 5.057 . 0 0 "[ . 1 . 2]" 1
507 1 73 GLU H 1 85 TYR QD 5.700 . 5.700 4.079 3.605 4.519 . 0 0 "[ . 1 . 2]" 1
508 1 72 ALA HA 1 73 GLU H 3.850 . 3.850 2.200 2.175 2.224 . 0 0 "[ . 1 . 2]" 1
509 1 73 GLU H 1 87 ASP HA 5.420 . 5.420 3.831 3.446 4.129 . 0 0 "[ . 1 . 2]" 1
510 1 73 GLU H 1 85 TYR HB2 6.100 . 6.100 3.727 3.131 4.328 . 0 0 "[ . 1 . 2]" 1
511 1 73 GLU H 1 73 GLU HG3 5.020 . 5.020 3.369 2.377 3.950 . 0 0 "[ . 1 . 2]" 1
512 1 73 GLU H 1 73 GLU HG2 4.440 . 4.440 2.779 2.335 3.524 . 0 0 "[ . 1 . 2]" 1
513 1 73 GLU H 1 86 LEU HB2 5.330 . 5.330 3.146 2.861 3.391 . 0 0 "[ . 1 . 2]" 1
514 1 72 ALA MB 1 73 GLU H 4.290 . 4.290 3.373 3.306 3.405 . 0 0 "[ . 1 . 2]" 1
515 1 57 ALA H 1 74 TYR H 5.410 . 5.410 4.453 3.907 4.937 . 0 0 "[ . 1 . 2]" 1
516 1 74 TYR H 1 74 TYR QD 4.300 . 4.300 2.325 2.154 2.623 . 0 0 "[ . 1 . 2]" 1
517 1 74 TYR H 1 74 TYR QE 5.800 . 5.800 4.401 4.170 4.524 . 0 0 "[ . 1 . 2]" 1
518 1 56 SER HA 1 74 TYR H 4.940 . 4.940 2.569 2.165 3.246 . 0 0 "[ . 1 . 2]" 1
519 1 73 GLU HA 1 74 TYR H 3.820 . 3.820 2.204 2.113 2.250 . 0 0 "[ . 1 . 2]" 1
520 1 56 SER QB 1 74 TYR H 5.500 . 5.500 3.968 3.225 5.165 . 0 0 "[ . 1 . 2]" 1
521 1 73 GLU HB3 1 74 TYR H 4.690 . 4.690 3.693 3.520 3.772 . 0 0 "[ . 1 . 2]" 1
522 1 72 ALA MB 1 74 TYR H 5.990 . 5.990 4.711 4.583 4.887 . 0 0 "[ . 1 . 2]" 1
523 1 74 TYR H 1 77 VAL MG2 6.040 . 6.040 5.225 4.932 5.696 . 0 0 "[ . 1 . 2]" 1
524 1 75 LEU H 1 86 LEU H . . 5.810 3.839 3.430 4.534 . 0 0 "[ . 1 . 2]" 1
525 1 75 LEU H 1 76 GLN H . . 4.120 2.703 2.423 2.902 . 0 0 "[ . 1 . 2]" 1
526 1 75 LEU H 1 85 TYR HA 4.920 . 4.920 2.149 1.829 2.625 . 0 0 "[ . 1 . 2]" 1
527 1 75 LEU H 1 85 TYR HB2 . . 5.970 4.078 3.474 4.729 . 0 0 "[ . 1 . 2]" 1
528 1 74 TYR HB3 1 75 LEU H 5.700 . 5.700 3.840 3.435 4.014 . 0 0 "[ . 1 . 2]" 1
529 1 76 GLN H 1 84 GLU H 4.650 . 4.650 3.752 3.607 4.141 . 0 0 "[ . 1 . 2]" 1
530 1 54 GLY H 1 76 GLN H 6.200 . 6.200 4.601 4.267 4.989 . 0 0 "[ . 1 . 2]" 1
531 1 76 GLN H 1 85 TYR HA 5.620 . 5.620 4.168 3.752 4.766 . 0 0 "[ . 1 . 2]" 1
532 1 75 LEU HA 1 76 GLN H 4.490 . 4.490 3.598 3.548 3.621 . 0 0 "[ . 1 . 2]" 1
533 1 74 TYR HA 1 76 GLN H 5.300 . 5.300 4.191 3.899 4.462 . 0 0 "[ . 1 . 2]" 1
534 1 76 GLN H 1 84 GLU QG 4.620 . 4.620 2.993 2.596 4.328 . 0 0 "[ . 1 . 2]" 1
535 1 75 LEU HB2 1 76 GLN H 4.710 . 4.710 3.473 2.277 3.904 . 0 0 "[ . 1 . 2]" 1
536 1 75 LEU HB3 1 76 GLN H 4.660 . 4.660 2.531 2.180 3.535 . 0 0 "[ . 1 . 2]" 1
537 1 76 GLN H 1 77 VAL MG2 5.450 . 5.450 3.762 3.332 4.036 . 0 0 "[ . 1 . 2]" 1
538 1 77 VAL H 1 78 ASP H 5.370 . 5.370 4.225 4.109 4.385 . 0 0 "[ . 1 . 2]" 1
539 1 76 GLN HB3 1 77 VAL H 4.340 . 4.340 3.878 3.178 4.431 0.091 12 0 "[ . 1 . 2]" 1
540 1 53 LYS QD 1 77 VAL H 5.750 . 5.750 2.812 1.860 3.955 . 0 0 "[ . 1 . 2]" 1
541 1 77 VAL H 1 77 VAL MG2 4.700 . 4.700 2.824 2.622 3.057 . 0 0 "[ . 1 . 2]" 1
542 1 78 ASP H 1 82 TYR H . . 5.210 4.099 3.768 4.465 . 0 0 "[ . 1 . 2]" 1
543 1 78 ASP H 1 82 TYR QD 5.700 . 5.700 3.249 2.403 4.187 . 0 0 "[ . 1 . 2]" 1
544 1 77 VAL HA 1 78 ASP H 3.800 . 3.800 2.183 2.151 2.232 . 0 0 "[ . 1 . 2]" 1
545 1 78 ASP H 1 82 TYR HB2 6.300 . 6.300 5.001 4.603 5.494 . 0 0 "[ . 1 . 2]" 1
546 1 77 VAL MG1 1 78 ASP H . . 4.540 3.041 2.898 3.178 . 0 0 "[ . 1 . 2]" 1
547 1 77 VAL MG2 1 78 ASP H 5.540 . 5.540 4.208 4.036 4.323 . 0 0 "[ . 1 . 2]" 1
548 1 81 TYR H 1 82 TYR H 3.890 . 3.890 2.208 1.876 2.643 . 0 0 "[ . 1 . 2]" 1
549 1 81 TYR H 1 81 TYR QD 4.740 . 4.740 2.781 1.857 3.668 . 0 0 "[ . 1 . 2]" 1
550 1 79 ALA HA 1 81 TYR H 4.180 . 4.180 4.134 3.932 4.322 0.142 3 0 "[ . 1 . 2]" 1
551 1 24 PHE HB2 1 81 TYR H 5.880 . 5.880 5.295 4.794 5.902 0.022 4 0 "[ . 1 . 2]" 1
552 1 80 PRO QG 1 81 TYR H 5.600 . 5.600 4.092 3.067 4.807 . 0 0 "[ . 1 . 2]" 1
553 1 80 PRO HA 1 81 TYR H 4.650 . 4.650 3.233 2.824 3.501 . 0 0 "[ . 1 . 2]" 1
554 1 79 ALA MB 1 81 TYR H 4.990 . 4.990 2.655 2.269 3.038 . 0 0 "[ . 1 . 2]" 1
555 1 81 TYR HA 1 82 TYR H 5.480 . 5.480 3.522 3.358 3.605 . 0 0 "[ . 1 . 2]" 1
556 1 82 TYR H 1 82 TYR HB3 4.380 . 4.380 2.850 2.658 3.000 . 0 0 "[ . 1 . 2]" 1
557 1 83 ILE H 1 107 LEU H . . 4.900 3.303 2.941 3.781 . 0 0 "[ . 1 . 2]" 1
558 1 82 TYR QD 1 83 ILE H 5.160 . 5.160 3.427 2.959 4.026 . 0 0 "[ . 1 . 2]" 1
559 1 82 TYR HA 1 83 ILE H 4.000 . 4.000 2.139 2.108 2.195 . 0 0 "[ . 1 . 2]" 1
560 1 83 ILE H 1 108 ASN HA . . 5.310 3.933 3.515 4.432 . 0 0 "[ . 1 . 2]" 1
561 1 83 ILE H 1 84 GLU HA 6.160 . 6.160 5.022 4.936 5.104 . 0 0 "[ . 1 . 2]" 1
562 1 82 TYR HB2 1 83 ILE H 5.710 . 5.710 4.293 4.106 4.565 . 0 0 "[ . 1 . 2]" 1
563 1 82 TYR HB3 1 83 ILE H 6.000 . 6.000 4.241 4.051 4.377 . 0 0 "[ . 1 . 2]" 1
564 1 83 ILE H 1 83 ILE HG12 5.700 . 5.700 4.422 3.993 4.580 . 0 0 "[ . 1 . 2]" 1
565 1 83 ILE H 1 83 ILE MD 5.820 . 5.820 2.439 2.206 4.054 . 0 0 "[ . 1 . 2]" 1
566 1 74 TYR QD 1 84 GLU H 6.010 . 6.010 4.162 3.511 5.020 . 0 0 "[ . 1 . 2]" 1
567 1 83 ILE HA 1 84 GLU H 3.970 . 3.970 2.262 2.222 2.299 . 0 0 "[ . 1 . 2]" 1
568 1 74 TYR HB3 1 84 GLU H 5.430 . 5.430 4.854 4.404 5.409 . 0 0 "[ . 1 . 2]" 1
569 1 84 GLU H 1 84 GLU QG 4.750 . 4.750 4.130 4.077 4.340 . 0 0 "[ . 1 . 2]" 1
570 1 83 ILE HB 1 84 GLU H 5.750 . 5.750 4.012 3.945 4.194 . 0 0 "[ . 1 . 2]" 1
571 1 83 ILE MG 1 84 GLU H . . 4.550 2.480 2.385 2.749 . 0 0 "[ . 1 . 2]" 1
572 1 77 VAL MG2 1 84 GLU H 5.820 . 5.820 2.777 2.265 3.633 . 0 0 "[ . 1 . 2]" 1
573 1 85 TYR H 1 105 ILE H 5.070 . 5.070 3.669 3.412 3.940 . 0 0 "[ . 1 . 2]" 1
574 1 85 TYR H 1 85 TYR QD 4.900 . 4.900 3.164 3.015 3.396 . 0 0 "[ . 1 . 2]" 1
575 1 84 GLU HA 1 85 TYR H 3.930 . 3.930 2.198 2.161 2.237 . 0 0 "[ . 1 . 2]" 1
576 1 85 TYR H 1 104 HIS HA 6.140 . 6.140 4.983 4.583 5.423 . 0 0 "[ . 1 . 2]" 1
577 1 84 GLU QG 1 85 TYR H 5.080 . 5.080 2.990 2.693 3.634 . 0 0 "[ . 1 . 2]" 1
578 1 84 GLU QB 1 85 TYR H 5.780 . 5.780 3.849 3.738 3.964 . 0 0 "[ . 1 . 2]" 1
579 1 85 TYR H 1 106 THR MG . . 4.610 3.865 3.406 4.670 0.060 9 0 "[ . 1 . 2]" 1
580 1 83 ILE MG 1 85 TYR H . . 5.550 3.844 3.619 4.135 . 0 0 "[ . 1 . 2]" 1
581 1 72 ALA MB 1 85 TYR H 6.130 . 6.130 5.972 5.566 6.213 0.083 16 0 "[ . 1 . 2]" 1
582 1 85 TYR H 1 86 LEU MD2 6.250 . 6.250 4.913 4.592 5.478 . 0 0 "[ . 1 . 2]" 1
583 1 85 TYR H 1 105 ILE MG 6.070 . 6.070 3.905 3.059 4.404 . 0 0 "[ . 1 . 2]" 1
584 1 85 TYR H 1 105 ILE HB 5.480 . 5.480 3.725 3.290 4.039 . 0 0 "[ . 1 . 2]" 1
585 1 85 TYR QD 1 86 LEU H 5.320 . 5.320 3.308 2.872 4.008 . 0 0 "[ . 1 . 2]" 1
586 1 108 ASN H 1 118 VAL HA 6.010 . 6.010 4.488 4.055 5.320 . 0 0 "[ . 1 . 2]" 1
587 1 74 TYR HA 1 86 LEU H 5.720 . 5.720 3.703 3.211 3.879 . 0 0 "[ . 1 . 2]" 1
588 1 108 ASN H 1 119 THR HB 5.340 . 5.340 3.714 3.320 4.114 . 0 0 "[ . 1 . 2]" 1
589 1 86 LEU H 1 86 LEU HG 4.950 . 4.950 2.793 2.235 3.093 . 0 0 "[ . 1 . 2]" 1
590 1 86 LEU HA 1 87 ASP H 3.850 . 3.850 2.239 2.197 2.383 . 0 0 "[ . 1 . 2]" 1
591 1 87 ASP H 1 104 HIS HA 5.650 . 5.650 3.780 3.106 4.335 . 0 0 "[ . 1 . 2]" 1
592 1 87 ASP H 1 105 ILE MD . . 5.290 3.432 3.111 3.860 . 0 0 "[ . 1 . 2]" 1
593 1 88 TYR H 1 89 PHE H . . 5.740 4.361 4.237 4.582 . 0 0 "[ . 1 . 2]" 1
594 1 88 TYR H 1 88 TYR QD 4.650 . 4.650 2.718 2.363 2.999 . 0 0 "[ . 1 . 2]" 1
595 1 72 ALA HA 1 88 TYR H 5.090 . 5.090 3.075 2.524 3.700 . 0 0 "[ . 1 . 2]" 1
596 1 87 ASP HA 1 88 TYR H 3.820 . 3.820 2.177 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
597 1 87 ASP HB2 1 88 TYR H 5.520 . 5.520 4.539 4.427 4.619 . 0 0 "[ . 1 . 2]" 1
598 1 73 GLU HG3 1 88 TYR H 6.090 . 6.090 5.189 3.836 6.069 . 0 0 "[ . 1 . 2]" 1
599 1 71 ILE HB 1 88 TYR H 5.960 . 5.960 4.048 2.769 4.642 . 0 0 "[ . 1 . 2]" 1
600 1 70 THR MG 1 88 TYR H 4.730 . 4.730 3.583 3.150 3.988 . 0 0 "[ . 1 . 2]" 1
601 1 71 ILE MG 1 88 TYR H 5.800 . 5.800 4.416 3.318 4.862 . 0 0 "[ . 1 . 2]" 1
602 1 89 PHE H 1 89 PHE QD . . 5.010 3.932 1.796 4.271 . 0 0 "[ . 1 . 2]" 1
603 1 88 TYR QD 1 89 PHE H 5.370 . 5.370 4.462 4.087 4.766 . 0 0 "[ . 1 . 2]" 1
604 1 88 TYR HA 1 89 PHE H 3.750 . 3.750 2.219 2.123 2.264 . 0 0 "[ . 1 . 2]" 1
605 1 88 TYR HB3 1 89 PHE H 3.980 . 3.980 3.602 2.841 3.757 . 0 0 "[ . 1 . 2]" 1
606 1 88 TYR HB2 1 89 PHE H 5.250 . 5.250 4.445 4.039 4.569 . 0 0 "[ . 1 . 2]" 1
607 1 69 TYR H 1 90 ALA H 5.270 . 5.270 4.651 4.098 5.109 . 0 0 "[ . 1 . 2]" 1
608 1 90 ALA H 1 91 THR H 5.640 . 5.640 4.548 4.412 4.597 . 0 0 "[ . 1 . 2]" 1
609 1 129 ALA H 1 130 ALA H 4.180 . 4.180 2.756 2.669 2.902 . 0 0 "[ . 1 . 2]" 1
610 1 89 PHE HA 1 90 ALA H 3.740 . 3.740 2.232 2.158 2.390 . 0 0 "[ . 1 . 2]" 1
611 1 89 PHE HB2 1 90 ALA H 4.840 . 4.840 4.296 4.096 4.469 . 0 0 "[ . 1 . 2]" 1
612 1 89 PHE HB3 1 90 ALA H 5.390 . 5.390 4.075 3.265 4.403 . 0 0 "[ . 1 . 2]" 1
613 1 69 TYR HB2 1 90 ALA H 5.550 . 5.550 3.967 3.672 4.387 . 0 0 "[ . 1 . 2]" 1
614 1 91 THR H 1 97 ASP H 5.430 . 5.430 4.043 3.466 5.281 . 0 0 "[ . 1 . 2]" 1
615 1 91 THR H 1 95 GLU H . . 4.690 4.115 3.199 4.864 0.174 11 0 "[ . 1 . 2]" 1
616 1 90 ALA HA 1 91 THR H 4.040 . 4.040 2.294 2.155 2.593 . 0 0 "[ . 1 . 2]" 1
617 1 91 THR H 1 96 LYS HA 5.720 . 5.720 3.297 2.329 3.805 . 0 0 "[ . 1 . 2]" 1
618 1 91 THR H 1 95 GLU HB2 6.050 . 6.050 5.170 4.232 6.037 . 0 0 "[ . 1 . 2]" 1
619 1 90 ALA MB 1 91 THR H 3.590 . 3.590 2.644 2.005 2.933 . 0 0 "[ . 1 . 2]" 1
620 1 71 ILE MD 1 91 THR H 6.290 . 6.290 4.648 4.019 5.363 . 0 0 "[ . 1 . 2]" 1
621 1 69 TYR QD 1 92 SER H 5.110 . 5.110 4.543 3.547 5.128 0.018 8 0 "[ . 1 . 2]" 1
622 1 91 THR MG 1 92 SER H 5.060 . 5.060 2.837 1.695 4.059 . 0 0 "[ . 1 . 2]" 1
623 1 92 SER H 1 93 LYS H 5.220 . 5.220 2.524 1.906 3.129 . 0 0 "[ . 1 . 2]" 1
624 1 93 LYS H 1 94 GLY H . . 4.200 2.807 2.409 3.237 . 0 0 "[ . 1 . 2]" 1
625 1 93 LYS H 1 95 GLU H . . 5.380 4.177 3.465 5.436 0.056 17 0 "[ . 1 . 2]" 1
626 1 91 THR HB 1 93 LYS H 4.890 . 4.890 4.539 3.081 4.952 0.062 16 0 "[ . 1 . 2]" 1
627 1 92 SER HA 1 93 LYS H 5.910 . 5.910 3.487 3.367 3.542 . 0 0 "[ . 1 . 2]" 1
628 1 91 THR H 1 94 GLY H 5.650 . 5.650 4.393 3.555 5.424 . 0 0 "[ . 1 . 2]" 1
629 1 94 GLY H 1 95 GLU H 4.130 . 4.130 2.596 1.653 4.058 . 0 0 "[ . 1 . 2]" 1
630 1 93 LYS HA 1 94 GLY H 4.820 . 4.820 3.352 3.069 3.609 . 0 0 "[ . 1 . 2]" 1
631 1 92 SER HA 1 94 GLY H . . 6.080 3.889 3.417 5.463 . 0 0 "[ . 1 . 2]" 1
632 1 93 LYS HB2 1 94 GLY H 5.180 . 5.180 3.338 2.023 4.096 . 0 0 "[ . 1 . 2]" 1
633 1 93 LYS HB3 1 94 GLY H 5.190 . 5.190 4.110 2.727 4.536 . 0 0 "[ . 1 . 2]" 1
634 1 91 THR MG 1 94 GLY H 5.130 . 5.130 3.253 2.202 4.195 . 0 0 "[ . 1 . 2]" 1
635 1 94 GLY HA2 1 95 GLU H 5.210 . 5.210 3.222 2.860 3.587 . 0 0 "[ . 1 . 2]" 1
636 1 94 GLY HA3 1 95 GLU H 5.010 . 5.010 3.211 2.246 3.565 . 0 0 "[ . 1 . 2]" 1
637 1 93 LYS HB2 1 95 GLU H 4.130 . 4.130 3.375 2.577 4.256 0.126 11 0 "[ . 1 . 2]" 1
638 1 95 GLU H 1 95 GLU HB2 4.260 . 4.260 3.241 2.407 3.991 . 0 0 "[ . 1 . 2]" 1
639 1 93 LYS HB3 1 95 GLU H 5.310 . 5.310 4.339 3.568 5.033 . 0 0 "[ . 1 . 2]" 1
640 1 91 THR MG 1 95 GLU H 4.600 . 4.600 3.046 2.066 4.077 . 0 0 "[ . 1 . 2]" 1
641 1 71 ILE MD 1 95 GLU H 5.870 . 5.870 3.847 3.016 4.924 . 0 0 "[ . 1 . 2]" 1
642 1 97 ASP H 1 98 THR H 5.950 . 5.950 3.621 2.164 4.607 . 0 0 "[ . 1 . 2]" 1
643 1 98 THR H 1 99 SER H . . 5.010 2.718 1.769 4.023 . 0 0 "[ . 1 . 2]" 1
644 1 97 ASP HB3 1 98 THR H 5.880 . 5.880 3.362 1.948 4.221 . 0 0 "[ . 1 . 2]" 1
645 1 98 THR H 1 98 THR MG 4.350 . 4.350 3.273 1.972 4.155 . 0 0 "[ . 1 . 2]" 1
646 1 99 SER H 1 100 MET H . . 4.260 2.661 2.006 3.584 . 0 0 "[ . 1 . 2]" 1
647 1 97 ASP HB2 1 99 SER H 6.040 . 6.040 4.668 3.511 5.723 . 0 0 "[ . 1 . 2]" 1
648 1 99 SER H 1 100 MET HG2 5.720 . 5.720 4.563 3.996 5.848 0.128 17 0 "[ . 1 . 2]" 1
649 1 98 THR MG 1 99 SER H 5.960 . 5.960 3.910 2.624 4.478 . 0 0 "[ . 1 . 2]" 1
650 1 98 THR HA 1 100 MET H 6.090 . 6.090 4.433 3.244 6.116 0.026 19 0 "[ . 1 . 2]" 1
651 1 99 SER HA 1 100 MET H 4.620 . 4.620 3.406 2.252 3.629 . 0 0 "[ . 1 . 2]" 1
652 1 99 SER HB3 1 100 MET H 5.250 . 5.250 3.406 2.361 4.556 . 0 0 "[ . 1 . 2]" 1
653 1 100 MET H 1 101 PRO HD2 6.130 . 6.130 5.267 5.043 5.579 . 0 0 "[ . 1 . 2]" 1
654 1 97 ASP HB2 1 100 MET H 6.110 . 6.110 5.200 4.237 6.232 0.122 19 0 "[ . 1 . 2]" 1
655 1 100 MET H 1 100 MET HG2 4.390 . 4.390 2.649 2.266 3.697 . 0 0 "[ . 1 . 2]" 1
656 1 100 MET H 1 100 MET HB3 3.960 . 3.960 3.224 2.684 3.765 . 0 0 "[ . 1 . 2]" 1
657 1 88 TYR QD 1 102 GLY H 5.850 . 5.850 4.811 4.264 5.541 . 0 0 "[ . 1 . 2]" 1
658 1 88 TYR QE 1 102 GLY H . . 5.070 3.722 3.377 4.524 . 0 0 "[ . 1 . 2]" 1
659 1 88 TYR HA 1 102 GLY H 5.990 . 5.990 5.660 4.706 6.150 0.160 2 0 "[ . 1 . 2]" 1
660 1 101 PRO HA 1 102 GLY H 3.590 . 3.590 2.548 2.225 2.861 . 0 0 "[ . 1 . 2]" 1
661 1 101 PRO HB2 1 102 GLY H 4.830 . 4.830 2.556 1.861 3.725 . 0 0 "[ . 1 . 2]" 1
662 1 101 PRO HG2 1 102 GLY H 5.540 . 5.540 4.342 3.418 5.585 0.045 19 0 "[ . 1 . 2]" 1
663 1 101 PRO HB3 1 102 GLY H 4.840 . 4.840 3.310 2.870 3.676 . 0 0 "[ . 1 . 2]" 1
664 1 88 TYR HA 1 103 MET H 5.860 . 5.860 3.860 3.363 4.248 . 0 0 "[ . 1 . 2]" 1
665 1 87 ASP HB2 1 103 MET H 5.800 . 5.800 4.944 4.485 5.451 . 0 0 "[ . 1 . 2]" 1
666 1 104 HIS H 1 123 THR H 5.620 . 5.620 3.929 3.156 4.619 . 0 0 "[ . 1 . 2]" 1
667 1 104 HIS H 1 105 ILE H 5.880 . 5.880 4.277 4.044 4.374 . 0 0 "[ . 1 . 2]" 1
668 1 103 MET H 1 104 HIS H 5.850 . 5.850 4.492 4.323 4.736 . 0 0 "[ . 1 . 2]" 1
669 1 103 MET HA 1 104 HIS H 3.730 . 3.730 2.260 2.188 2.467 . 0 0 "[ . 1 . 2]" 1
670 1 104 HIS H 1 123 THR HB 5.430 . 5.430 3.653 2.317 5.494 0.064 16 0 "[ . 1 . 2]" 1
671 1 103 MET HG2 1 104 HIS H 5.530 . 5.530 4.679 3.748 5.342 . 0 0 "[ . 1 . 2]" 1
672 1 103 MET HB3 1 104 HIS H 5.350 . 5.350 4.428 3.910 4.573 . 0 0 "[ . 1 . 2]" 1
673 1 104 HIS H 1 123 THR MG 5.790 . 5.790 4.179 2.602 5.640 . 0 0 "[ . 1 . 2]" 1
674 1 86 LEU MD2 1 104 HIS H 5.350 . 5.350 4.051 3.656 4.683 . 0 0 "[ . 1 . 2]" 1
675 1 87 ASP H 1 105 ILE H 6.300 . 6.300 4.065 3.592 4.434 . 0 0 "[ . 1 . 2]" 1
676 1 104 HIS HD2 1 105 ILE H . . 5.510 4.144 2.786 5.564 0.054 17 0 "[ . 1 . 2]" 1
677 1 86 LEU HA 1 105 ILE H 4.950 . 4.950 3.340 2.935 3.684 . 0 0 "[ . 1 . 2]" 1
678 1 104 HIS HA 1 105 ILE H 3.910 . 3.910 2.233 2.163 2.298 . 0 0 "[ . 1 . 2]" 1
679 1 104 HIS QB 1 105 ILE H 5.540 . 5.540 3.987 3.720 4.085 . 0 0 "[ . 1 . 2]" 1
680 1 105 ILE H 1 105 ILE HG12 5.080 . 5.080 4.321 4.181 4.525 . 0 0 "[ . 1 . 2]" 1
681 1 86 LEU MD2 1 105 ILE H 4.730 . 4.730 3.797 3.326 4.336 . 0 0 "[ . 1 . 2]" 1
682 1 106 THR H 1 121 THR H 4.870 . 4.870 3.465 2.915 4.182 . 0 0 "[ . 1 . 2]" 1
683 1 106 THR H 1 120 SER HA 5.830 . 5.830 4.697 4.394 5.321 . 0 0 "[ . 1 . 2]" 1
684 1 106 THR H 1 121 THR HA 5.380 . 5.380 4.854 4.637 5.201 . 0 0 "[ . 1 . 2]" 1
685 1 105 ILE HA 1 106 THR H 3.860 . 3.860 2.189 2.135 2.228 . 0 0 "[ . 1 . 2]" 1
686 1 106 THR H 1 121 THR HB 5.500 . 5.500 3.291 2.449 4.143 . 0 0 "[ . 1 . 2]" 1
687 1 105 ILE HG12 1 106 THR H 6.090 . 6.090 5.388 5.093 5.548 . 0 0 "[ . 1 . 2]" 1
688 1 105 ILE HG13 1 106 THR H 5.380 . 5.380 4.338 3.894 4.589 . 0 0 "[ . 1 . 2]" 1
689 1 105 ILE MG 1 106 THR H 4.260 . 4.260 2.786 2.490 3.132 . 0 0 "[ . 1 . 2]" 1
690 1 105 ILE HB 1 106 THR H 5.740 . 5.740 4.325 4.147 4.537 . 0 0 "[ . 1 . 2]" 1
691 1 82 TYR HA 1 107 LEU H 6.150 . 6.150 5.032 4.429 5.513 . 0 0 "[ . 1 . 2]" 1
692 1 106 THR HA 1 107 LEU H 3.970 . 3.970 2.197 2.168 2.246 . 0 0 "[ . 1 . 2]" 1
693 1 106 THR HB 1 107 LEU H 4.860 . 4.860 3.613 3.481 4.324 . 0 0 "[ . 1 . 2]" 1
694 1 83 ILE HB 1 107 LEU H 4.710 . 4.710 2.984 2.485 3.274 . 0 0 "[ . 1 . 2]" 1
695 1 107 LEU H 1 107 LEU HG 5.210 . 5.210 3.137 2.507 3.372 . 0 0 "[ . 1 . 2]" 1
696 1 106 THR MG 1 107 LEU H 5.110 . 5.110 4.041 3.089 4.184 . 0 0 "[ . 1 . 2]" 1
697 1 105 ILE MG 1 107 LEU H 5.860 . 5.860 3.359 3.114 3.635 . 0 0 "[ . 1 . 2]" 1
698 1 108 ASN HD21 1 109 PHE H 5.550 . 5.550 4.486 3.071 5.643 0.093 8 0 "[ . 1 . 2]" 1
699 1 108 ASN H 1 108 ASN HD21 5.810 . 5.810 4.258 2.353 5.230 . 0 0 "[ . 1 . 2]" 1
700 1 82 TYR QE 1 108 ASN HD21 6.100 . 6.100 4.278 2.598 6.223 0.123 12 0 "[ . 1 . 2]" 1
701 1 107 LEU H 1 108 ASN H 5.680 . 5.680 4.434 4.281 4.544 . 0 0 "[ . 1 . 2]" 1
702 1 108 ASN H 1 120 SER HA 5.500 . 5.500 3.542 3.073 3.839 . 0 0 "[ . 1 . 2]" 1
703 1 108 ASN H 1 118 VAL MG1 5.480 . 5.480 3.347 2.436 5.521 0.041 4 0 "[ . 1 . 2]" 1
704 1 109 PHE H 1 109 PHE QD 4.440 . 4.440 2.154 1.678 4.205 . 0 0 "[ . 1 . 2]" 1
705 1 82 TYR HA 1 109 PHE H 5.940 . 5.940 4.041 3.513 4.867 . 0 0 "[ . 1 . 2]" 1
706 1 81 TYR HA 1 109 PHE H 5.030 . 5.030 3.959 3.288 5.001 . 0 0 "[ . 1 . 2]" 1
707 1 81 TYR QB 1 109 PHE H 4.960 . 4.960 3.654 2.702 4.643 . 0 0 "[ . 1 . 2]" 1
708 1 108 ASN HB2 1 109 PHE H . . 5.290 4.067 3.845 4.269 . 0 0 "[ . 1 . 2]" 1
709 1 138 VAL MG1 1 139 GLU H 3.900 . 3.900 2.541 2.297 2.826 . 0 0 "[ . 1 . 2]" 1
710 1 114 GLY H 1 115 LYS H . . 4.370 2.446 1.995 2.759 . 0 0 "[ . 1 . 2]" 1
711 1 113 LYS HA 1 114 GLY H 4.350 . 4.350 3.149 2.412 3.599 . 0 0 "[ . 1 . 2]" 1
712 1 114 GLY H 1 115 LYS HB2 4.870 . 4.870 4.547 4.223 4.977 0.107 16 0 "[ . 1 . 2]" 1
713 1 113 LYS HB3 1 114 GLY H 6.010 . 6.010 3.258 1.888 4.526 . 0 0 "[ . 1 . 2]" 1
714 1 113 LYS HG2 1 114 GLY H 5.860 . 5.860 4.464 1.972 5.920 0.060 12 0 "[ . 1 . 2]" 1
715 1 115 LYS H 1 116 THR H 5.590 . 5.590 4.508 4.193 4.629 . 0 0 "[ . 1 . 2]" 1
716 1 115 LYS H 1 116 THR HA 6.070 . 6.070 5.300 4.694 5.579 . 0 0 "[ . 1 . 2]" 1
717 1 114 GLY HA2 1 115 LYS H 4.740 . 4.740 3.515 3.206 3.578 . 0 0 "[ . 1 . 2]" 1
718 1 114 GLY HA3 1 115 LYS H 4.840 . 4.840 2.771 2.475 3.351 . 0 0 "[ . 1 . 2]" 1
719 1 115 LYS H 1 115 LYS HB2 3.930 . 3.930 2.468 2.259 2.636 . 0 0 "[ . 1 . 2]" 1
720 1 115 LYS H 1 115 LYS HB3 4.350 . 4.350 3.645 3.546 3.741 . 0 0 "[ . 1 . 2]" 1
721 1 115 LYS H 1 115 LYS HG2 4.470 . 4.470 3.822 3.342 4.290 . 0 0 "[ . 1 . 2]" 1
722 1 115 LYS H 1 115 LYS HG3 4.820 . 4.820 2.679 2.139 3.869 . 0 0 "[ . 1 . 2]" 1
723 1 15 THR MG 1 115 LYS H 5.540 . 5.540 4.485 3.903 5.207 . 0 0 "[ . 1 . 2]" 1
724 1 116 THR H 1 117 THR H 5.570 . 5.570 4.598 4.470 4.665 . 0 0 "[ . 1 . 2]" 1
725 1 115 LYS HA 1 116 THR H 3.800 . 3.800 2.225 2.121 2.309 . 0 0 "[ . 1 . 2]" 1
726 1 105 ILE HA 1 123 THR H 5.480 . 5.480 3.398 2.939 4.158 . 0 0 "[ . 1 . 2]" 1
727 1 116 THR H 1 116 THR HB 4.300 . 4.300 2.799 2.407 3.664 . 0 0 "[ . 1 . 2]" 1
728 1 115 LYS HB2 1 116 THR H 5.290 . 5.290 4.145 3.871 4.532 . 0 0 "[ . 1 . 2]" 1
729 1 115 LYS HB3 1 116 THR H 4.670 . 4.670 3.186 2.768 3.791 . 0 0 "[ . 1 . 2]" 1
730 1 15 THR MG 1 116 THR H . . 4.910 4.017 3.467 4.377 . 0 0 "[ . 1 . 2]" 1
731 1 23 VAL MG2 1 116 THR H . . 5.850 4.195 3.728 4.617 . 0 0 "[ . 1 . 2]" 1
732 1 116 THR HA 1 117 THR H 3.810 . 3.810 2.217 2.131 2.314 . 0 0 "[ . 1 . 2]" 1
733 1 117 THR H 1 117 THR HB 4.350 . 4.350 2.843 2.701 2.972 . 0 0 "[ . 1 . 2]" 1
734 1 117 THR H 1 118 VAL HB 5.330 . 5.330 5.386 4.823 5.662 0.332 10 0 "[ . 1 . 2]" 1
735 1 116 THR MG 1 117 THR H 4.530 . 4.530 2.919 2.326 4.066 . 0 0 "[ . 1 . 2]" 1
736 1 16 PHE H 1 118 VAL H 5.680 . 5.680 4.779 4.053 5.669 . 0 0 "[ . 1 . 2]" 1
737 1 16 PHE QD 1 118 VAL H 6.200 . 6.200 3.949 3.096 5.504 . 0 0 "[ . 1 . 2]" 1
738 1 117 THR HB 1 118 VAL H 6.060 . 6.060 4.365 4.113 4.471 . 0 0 "[ . 1 . 2]" 1
739 1 135 ASP H 1 136 MET H . . 4.200 2.662 2.566 2.798 . 0 0 "[ . 1 . 2]" 1
740 1 134 ILE H 1 135 ASP H 4.240 . 4.240 2.705 2.634 2.815 . 0 0 "[ . 1 . 2]" 1
741 1 118 VAL HA 1 119 THR H 3.830 . 3.830 2.097 2.065 2.153 . 0 0 "[ . 1 . 2]" 1
742 1 135 ASP H 1 135 ASP HB2 4.080 . 4.080 2.488 2.390 2.606 . 0 0 "[ . 1 . 2]" 1
743 1 134 ILE HB 1 135 ASP H 4.040 . 4.040 2.551 2.416 2.738 . 0 0 "[ . 1 . 2]" 1
744 1 133 ALA MB 1 135 ASP H 5.280 . 5.280 4.705 4.517 4.854 . 0 0 "[ . 1 . 2]" 1
745 1 118 VAL MG2 1 119 THR H 3.980 . 3.980 3.783 2.576 4.054 0.074 13 0 "[ . 1 . 2]" 1
746 1 107 LEU HB3 1 119 THR H 5.350 . 5.350 5.016 4.532 5.439 0.089 10 0 "[ . 1 . 2]" 1
747 1 118 VAL MG1 1 119 THR H 4.600 . 4.600 3.304 2.968 4.108 . 0 0 "[ . 1 . 2]" 1
748 1 13 THR HA 1 120 SER H 5.290 . 5.290 3.482 3.177 3.777 . 0 0 "[ . 1 . 2]" 1
749 1 11 ILE HA 1 120 SER H 5.730 . 5.730 5.154 4.498 5.506 . 0 0 "[ . 1 . 2]" 1
750 1 119 THR HA 1 120 SER H 3.850 . 3.850 2.203 2.148 2.239 . 0 0 "[ . 1 . 2]" 1
751 1 12 PHE HB2 1 120 SER H 5.890 . 5.890 4.898 4.548 5.258 . 0 0 "[ . 1 . 2]" 1
752 1 119 THR MG 1 120 SER H 4.430 . 4.430 3.200 3.041 3.345 . 0 0 "[ . 1 . 2]" 1
753 1 11 ILE MG 1 120 SER H 5.240 . 5.240 4.565 3.916 5.043 . 0 0 "[ . 1 . 2]" 1
754 1 118 VAL MG1 1 120 SER H 5.670 . 5.670 4.100 3.643 4.449 . 0 0 "[ . 1 . 2]" 1
755 1 120 SER HA 1 121 THR H 3.990 . 3.990 2.198 2.145 2.246 . 0 0 "[ . 1 . 2]" 1
756 1 121 THR HA 1 122 SER H 3.830 . 3.830 2.203 2.154 2.265 . 0 0 "[ . 1 . 2]" 1
757 1 105 ILE HA 1 121 THR H 5.920 . 5.920 4.921 4.103 5.593 . 0 0 "[ . 1 . 2]" 1
758 1 120 SER HB2 1 121 THR H 5.710 . 5.710 3.708 3.221 3.900 . 0 0 "[ . 1 . 2]" 1
759 1 121 THR MG 1 122 SER H . . 4.580 3.288 2.774 3.517 . 0 0 "[ . 1 . 2]" 1
760 1 11 ILE MG 1 121 THR H 5.030 . 5.030 4.579 3.629 5.095 0.065 9 0 "[ . 1 . 2]" 1
761 1 105 ILE MG 1 121 THR H 5.300 . 5.300 3.812 3.273 4.543 . 0 0 "[ . 1 . 2]" 1
762 1 9 LYS HA 1 122 SER H 5.380 . 5.380 4.741 4.062 5.191 . 0 0 "[ . 1 . 2]" 1
763 1 9 LYS HB2 1 122 SER H 5.870 . 5.870 5.868 5.423 6.010 0.140 14 0 "[ . 1 . 2]" 1
764 1 9 LYS HD3 1 122 SER H 6.200 . 6.200 5.127 4.425 6.361 0.161 13 0 "[ . 1 . 2]" 1
765 1 11 ILE MG 1 122 SER H 5.710 . 5.710 4.826 4.138 5.579 . 0 0 "[ . 1 . 2]" 1
766 1 122 SER HA 1 123 THR H 3.990 . 3.990 2.217 2.153 2.290 . 0 0 "[ . 1 . 2]" 1
767 1 122 SER HB3 1 123 THR H 5.740 . 5.740 3.836 3.250 4.360 . 0 0 "[ . 1 . 2]" 1
768 1 104 HIS QB 1 123 THR H 5.910 . 5.910 3.573 2.853 4.050 . 0 0 "[ . 1 . 2]" 1
769 1 124 PHE H 1 124 PHE QD 4.410 . 4.410 2.086 1.898 2.307 . 0 0 "[ . 1 . 2]" 1
770 1 9 LYS HA 1 124 PHE H 5.210 . 5.210 2.683 2.269 3.246 . 0 0 "[ . 1 . 2]" 1
771 1 123 THR HA 1 124 PHE H 3.920 . 3.920 2.144 2.059 2.190 . 0 0 "[ . 1 . 2]" 1
772 1 8 ASN HB2 1 124 PHE H 6.270 . 6.270 3.899 2.841 4.290 . 0 0 "[ . 1 . 2]" 1
773 1 9 LYS HG2 1 124 PHE H 6.180 . 6.180 5.497 3.605 6.210 0.030 9 0 "[ . 1 . 2]" 1
774 1 123 THR MG 1 124 PHE H 4.490 . 4.490 3.517 3.133 4.235 . 0 0 "[ . 1 . 2]" 1
775 1 71 ILE H 1 90 ALA H 5.550 . 5.550 3.631 3.217 4.410 . 0 0 "[ . 1 . 2]" 1
776 1 126 THR H 1 129 ALA H 5.400 . 5.400 4.353 3.409 5.206 . 0 0 "[ . 1 . 2]" 1
777 1 128 SER HB2 1 129 ALA H 4.510 . 4.510 4.237 3.905 4.598 0.088 2 0 "[ . 1 . 2]" 1
778 1 129 ALA H 1 131 GLN QB 5.890 . 5.890 4.799 4.330 5.197 . 0 0 "[ . 1 . 2]" 1
779 1 130 ALA H 1 132 GLN H 5.330 . 5.330 4.208 4.038 4.358 . 0 0 "[ . 1 . 2]" 1
780 1 126 THR HA 1 130 ALA H 5.400 . 5.400 5.451 5.025 5.670 0.270 5 0 "[ . 1 . 2]" 1
781 1 8 ASN HA 1 130 ALA H 5.940 . 5.940 2.935 2.118 3.777 . 0 0 "[ . 1 . 2]" 1
782 1 129 ALA HA 1 130 ALA H 4.860 . 4.860 3.535 3.473 3.582 . 0 0 "[ . 1 . 2]" 1
783 1 125 PRO HD2 1 130 ALA H 4.880 . 4.880 4.783 4.540 4.906 0.026 10 0 "[ . 1 . 2]" 1
784 1 124 PHE HB3 1 130 ALA H 5.520 . 5.520 3.259 3.017 3.472 . 0 0 "[ . 1 . 2]" 1
785 1 124 PHE HB2 1 130 ALA H 5.450 . 5.450 3.002 2.687 3.300 . 0 0 "[ . 1 . 2]" 1
786 1 130 ALA H 1 131 GLN QB 5.370 . 5.370 4.347 4.132 4.486 . 0 0 "[ . 1 . 2]" 1
787 1 129 ALA MB 1 130 ALA H 4.140 . 4.140 2.601 2.340 2.805 . 0 0 "[ . 1 . 2]" 1
788 1 130 ALA H 1 130 ALA MB 3.660 . 3.660 2.231 2.191 2.259 . 0 0 "[ . 1 . 2]" 1
789 1 10 ILE MD 1 130 ALA H 6.170 . 6.170 5.075 4.775 5.464 . 0 0 "[ . 1 . 2]" 1
790 1 131 GLN HA 1 131 GLN HE21 5.840 . 5.840 2.918 1.685 4.165 . 0 0 "[ . 1 . 2]" 1
791 1 131 GLN HE21 1 134 ILE MG . . 4.680 3.552 3.094 4.458 . 0 0 "[ . 1 . 2]" 1
792 1 131 GLN H 1 132 GLN H 4.130 . 4.130 2.830 2.742 2.993 . 0 0 "[ . 1 . 2]" 1
793 1 130 ALA H 1 131 GLN H . . 4.190 2.653 2.408 2.808 . 0 0 "[ . 1 . 2]" 1
794 1 128 SER HA 1 131 GLN H 4.730 . 4.730 3.231 2.819 3.536 . 0 0 "[ . 1 . 2]" 1
795 1 128 SER HB3 1 131 GLN H 5.870 . 5.870 4.284 3.224 5.765 . 0 0 "[ . 1 . 2]" 1
796 1 124 PHE HB2 1 131 GLN H 5.070 . 5.070 5.182 4.946 5.298 0.228 7 0 "[ . 1 . 2]" 1
797 1 130 ALA HA 1 131 GLN H 5.510 . 5.510 3.557 3.490 3.600 . 0 0 "[ . 1 . 2]" 1
798 1 131 GLN H 1 131 GLN HG3 4.900 . 4.900 4.476 4.450 4.510 . 0 0 "[ . 1 . 2]" 1
799 1 131 GLN H 1 131 GLN QB 3.850 . 3.850 2.269 2.221 2.320 . 0 0 "[ . 1 . 2]" 1
800 1 131 GLN H 1 134 ILE HG12 5.900 . 5.900 5.189 4.296 6.006 0.106 13 0 "[ . 1 . 2]" 1
801 1 130 ALA MB 1 131 GLN H 4.170 . 4.170 2.475 2.279 2.806 . 0 0 "[ . 1 . 2]" 1
802 1 131 GLN HE22 1 135 ASP H 6.010 . 6.010 4.502 4.067 5.481 . 0 0 "[ . 1 . 2]" 1
803 1 131 GLN HA 1 131 GLN HE22 5.620 . 5.620 3.583 3.399 4.239 . 0 0 "[ . 1 . 2]" 1
804 1 131 GLN HE22 1 134 ILE MG 4.550 . 4.550 3.029 2.455 3.672 . 0 0 "[ . 1 . 2]" 1
805 1 128 SER HB3 1 132 GLN H 6.100 . 6.100 4.342 3.584 5.918 . 0 0 "[ . 1 . 2]" 1
806 1 131 GLN HA 1 132 GLN H 5.200 . 5.200 3.570 3.536 3.599 . 0 0 "[ . 1 . 2]" 1
807 1 130 ALA HA 1 132 GLN H 6.300 . 6.300 4.563 4.327 4.795 . 0 0 "[ . 1 . 2]" 1
808 1 132 GLN H 1 132 GLN HG2 4.730 . 4.730 4.213 2.233 4.666 . 0 0 "[ . 1 . 2]" 1
809 1 131 GLN HG3 1 132 GLN H 4.770 . 4.770 3.488 3.257 3.702 . 0 0 "[ . 1 . 2]" 1
810 1 131 GLN QB 1 132 GLN H 3.460 . 3.460 2.503 2.336 2.637 . 0 0 "[ . 1 . 2]" 1
811 1 132 GLN H 1 133 ALA MB 5.630 . 5.630 4.410 4.268 4.489 . 0 0 "[ . 1 . 2]" 1
812 1 130 ALA MB 1 132 GLN H 6.020 . 6.020 4.627 4.466 4.811 . 0 0 "[ . 1 . 2]" 1
813 1 133 ALA H 1 135 ASP H . . 5.940 4.239 3.994 4.426 . 0 0 "[ . 1 . 2]" 1
814 1 131 GLN H 1 133 ALA H . . 5.880 4.163 3.942 4.468 . 0 0 "[ . 1 . 2]" 1
815 1 133 ALA H 1 134 ILE H 4.050 . 4.050 2.680 2.639 2.772 . 0 0 "[ . 1 . 2]" 1
816 1 131 GLN HA 1 133 ALA H 5.880 . 5.880 4.300 4.155 4.423 . 0 0 "[ . 1 . 2]" 1
817 1 130 ALA HA 1 133 ALA H 4.990 . 4.990 3.514 3.207 3.789 . 0 0 "[ . 1 . 2]" 1
818 1 133 ALA H 1 133 ALA MB . . 3.510 2.250 2.204 2.279 . 0 0 "[ . 1 . 2]" 1
819 1 134 ILE H 1 136 MET H 5.680 . 5.680 3.901 3.784 4.226 . 0 0 "[ . 1 . 2]" 1
820 1 132 GLN HA 1 134 ILE H 5.260 . 5.260 4.301 4.142 4.447 . 0 0 "[ . 1 . 2]" 1
821 1 131 GLN HA 1 134 ILE H 5.070 . 5.070 3.357 3.165 3.539 . 0 0 "[ . 1 . 2]" 1
822 1 134 ILE H 1 134 ILE HB 4.000 . 4.000 2.606 2.481 2.767 . 0 0 "[ . 1 . 2]" 1
823 1 134 ILE H 1 134 ILE HG12 4.380 . 4.380 2.559 2.046 3.446 . 0 0 "[ . 1 . 2]" 1
824 1 133 ALA MB 1 134 ILE H 3.930 . 3.930 2.681 2.565 2.846 . 0 0 "[ . 1 . 2]" 1
825 1 134 ILE H 1 134 ILE MG 4.400 . 4.400 3.838 3.815 3.864 . 0 0 "[ . 1 . 2]" 1
826 1 134 ILE H 1 134 ILE MD . . 4.940 3.349 2.876 3.752 . 0 0 "[ . 1 . 2]" 1
827 1 131 GLN HE21 1 135 ASP H 5.420 . 5.420 3.288 2.846 4.526 . 0 0 "[ . 1 . 2]" 1
828 1 132 GLN HA 1 135 ASP H 4.590 . 4.590 3.389 2.973 3.707 . 0 0 "[ . 1 . 2]" 1
829 1 131 GLN HA 1 135 ASP H 5.490 . 5.490 4.421 4.203 4.724 . 0 0 "[ . 1 . 2]" 1
830 1 134 ILE HG12 1 135 ASP H 5.460 . 5.460 4.469 3.967 4.995 . 0 0 "[ . 1 . 2]" 1
831 1 135 ASP HA 1 136 MET H 5.010 . 5.010 3.513 3.457 3.576 . 0 0 "[ . 1 . 2]" 1
832 1 133 ALA HA 1 136 MET H 4.570 . 4.570 3.281 3.089 3.563 . 0 0 "[ . 1 . 2]" 1
833 1 135 ASP HB2 1 136 MET H 4.120 . 4.120 2.920 2.640 3.165 . 0 0 "[ . 1 . 2]" 1
834 1 136 MET H 1 136 MET HB2 4.370 . 4.370 2.579 2.438 3.666 . 0 0 "[ . 1 . 2]" 1
835 1 136 MET H 1 136 MET HB3 3.920 . 3.920 2.541 2.438 2.640 . 0 0 "[ . 1 . 2]" 1
836 1 133 ALA MB 1 136 MET H 5.810 . 5.810 4.468 4.330 4.750 . 0 0 "[ . 1 . 2]" 1
837 1 134 ILE MG 1 136 MET H 5.690 . 5.690 5.002 4.821 5.162 . 0 0 "[ . 1 . 2]" 1
838 1 135 ASP H 1 137 GLY H 5.430 . 5.430 4.011 3.850 4.127 . 0 0 "[ . 1 . 2]" 1
839 1 136 MET H 1 137 GLY H 4.030 . 4.030 2.521 2.388 2.603 . 0 0 "[ . 1 . 2]" 1
840 1 136 MET HA 1 137 GLY H 4.770 . 4.770 3.486 3.413 3.517 . 0 0 "[ . 1 . 2]" 1
841 1 135 ASP HB2 1 137 GLY H 6.220 . 6.220 5.049 4.843 5.195 . 0 0 "[ . 1 . 2]" 1
842 1 135 ASP HB3 1 137 GLY H 6.010 . 6.010 5.467 5.239 5.603 . 0 0 "[ . 1 . 2]" 1
843 1 136 MET HB2 1 137 GLY H 5.700 . 5.700 4.093 3.961 4.246 . 0 0 "[ . 1 . 2]" 1
844 1 136 MET HB3 1 137 GLY H 5.080 . 5.080 3.102 2.913 4.153 . 0 0 "[ . 1 . 2]" 1
845 1 137 GLY H 1 138 VAL MG2 5.950 . 5.950 5.584 5.447 5.720 . 0 0 "[ . 1 . 2]" 1
846 1 137 GLY H 1 138 VAL MG1 5.320 . 5.320 4.040 3.746 4.262 . 0 0 "[ . 1 . 2]" 1
847 1 138 VAL H 1 139 GLU H . . 4.630 2.666 2.506 2.905 . 0 0 "[ . 1 . 2]" 1
848 1 137 GLY HA2 1 138 VAL H 5.130 . 5.130 2.748 2.557 3.060 . 0 0 "[ . 1 . 2]" 1
849 1 138 VAL H 1 138 VAL HB 3.810 . 3.810 2.461 2.377 2.554 . 0 0 "[ . 1 . 2]" 1
850 1 133 ALA MB 1 138 VAL H 5.250 . 5.250 3.992 3.651 4.198 . 0 0 "[ . 1 . 2]" 1
851 1 138 VAL H 1 138 VAL MG2 4.360 . 4.360 3.800 3.765 3.840 . 0 0 "[ . 1 . 2]" 1
852 1 138 VAL H 1 138 VAL MG1 3.870 . 3.870 2.237 2.066 2.447 . 0 0 "[ . 1 . 2]" 1
853 1 137 GLY HA2 1 139 GLU H 5.840 . 5.840 3.418 3.186 3.671 . 0 0 "[ . 1 . 2]" 1
854 1 138 VAL HA 1 139 GLU H 5.060 . 5.060 3.484 3.405 3.551 . 0 0 "[ . 1 . 2]" 1
855 1 138 VAL MG2 1 139 GLU H 5.130 . 5.130 4.067 3.778 4.264 . 0 0 "[ . 1 . 2]" 1
856 1 140 THR H 1 142 MET H 5.620 . 5.620 4.434 4.183 4.665 . 0 0 "[ . 1 . 2]" 1
857 1 141 GLY H 1 142 MET H 4.340 . 4.340 2.796 2.632 2.910 . 0 0 "[ . 1 . 2]" 1
858 1 140 THR HB 1 141 GLY H 4.430 . 4.430 2.873 2.485 4.125 . 0 0 "[ . 1 . 2]" 1
859 1 140 THR MG 1 141 GLY H 5.060 . 5.060 3.634 2.381 3.931 . 0 0 "[ . 1 . 2]" 1
860 1 141 GLY HA2 1 142 MET H 4.150 . 4.150 3.572 3.555 3.602 . 0 0 "[ . 1 . 2]" 1
861 1 141 GLY HA3 1 142 MET H 4.700 . 4.700 2.747 2.671 2.917 . 0 0 "[ . 1 . 2]" 1
862 1 142 MET H 1 142 MET HG2 4.360 . 4.360 3.352 2.296 3.772 . 0 0 "[ . 1 . 2]" 1
863 1 142 MET H 1 142 MET HG3 4.910 . 4.910 2.716 2.295 3.744 . 0 0 "[ . 1 . 2]" 1
864 1 142 MET H 1 142 MET ME . . 5.520 3.909 3.402 4.750 . 0 0 "[ . 1 . 2]" 1
865 1 138 VAL MG1 1 142 MET H 5.820 . 5.820 4.694 4.312 5.079 . 0 0 "[ . 1 . 2]" 1
866 1 143 ASN H 1 143 ASN HD22 6.040 . 6.040 5.368 3.765 5.872 . 0 0 "[ . 1 . 2]" 1
867 1 144 SER H 1 145 THR H . . 4.300 2.713 2.574 2.921 . 0 0 "[ . 1 . 2]" 1
868 1 143 ASN HA 1 144 SER H 5.410 . 5.410 3.556 3.530 3.574 . 0 0 "[ . 1 . 2]" 1
869 1 144 SER H 1 144 SER HB2 4.140 . 4.140 2.538 2.453 2.620 . 0 0 "[ . 1 . 2]" 1
870 1 144 SER H 1 144 SER HB3 4.120 . 4.120 3.208 2.534 3.657 . 0 0 "[ . 1 . 2]" 1
871 1 141 GLY HA3 1 144 SER H 5.520 . 5.520 4.749 4.546 5.127 . 0 0 "[ . 1 . 2]" 1
872 1 143 ASN HB2 1 144 SER H 4.670 . 4.670 3.614 2.470 4.064 . 0 0 "[ . 1 . 2]" 1
873 1 143 ASN HB3 1 144 SER H 4.670 . 4.670 2.877 2.346 3.687 . 0 0 "[ . 1 . 2]" 1
874 1 144 SER HB3 1 145 THR H 3.820 . 3.820 3.255 2.411 3.856 0.036 20 0 "[ . 1 . 2]" 1
875 1 145 THR H 1 146 LEU HG 5.940 . 5.940 4.625 4.248 4.959 . 0 0 "[ . 1 . 2]" 1
876 1 145 THR H 1 146 LEU H 4.630 . 4.630 2.639 2.511 2.764 . 0 0 "[ . 1 . 2]" 1
877 1 143 ASN HA 1 146 LEU H 5.420 . 5.420 3.551 3.228 3.844 . 0 0 "[ . 1 . 2]" 1
878 1 146 LEU H 1 146 LEU HG 4.330 . 4.330 2.560 2.392 2.750 . 0 0 "[ . 1 . 2]" 1
879 1 147 ASN H 1 148 GLN H . . 4.500 2.632 2.516 2.898 . 0 0 "[ . 1 . 2]" 1
880 1 147 ASN H 1 149 LEU H 6.100 . 6.100 3.961 3.811 4.123 . 0 0 "[ . 1 . 2]" 1
881 1 144 SER HA 1 147 ASN H 5.110 . 5.110 3.322 2.984 3.763 . 0 0 "[ . 1 . 2]" 1
882 1 147 ASN H 1 147 ASN HB2 4.400 . 4.400 2.485 2.389 2.654 . 0 0 "[ . 1 . 2]" 1
883 1 146 LEU HB2 1 147 ASN H 5.430 . 5.430 3.127 3.014 3.251 . 0 0 "[ . 1 . 2]" 1
884 1 146 LEU HB3 1 147 ASN H 5.910 . 5.910 3.986 3.899 4.052 . 0 0 "[ . 1 . 2]" 1
885 1 144 SER HA 1 147 ASN HD22 5.430 . 5.430 4.271 2.366 5.640 0.210 17 0 "[ . 1 . 2]" 1
886 1 148 GLN H 1 148 GLN HE21 5.460 . 5.460 3.435 2.476 4.493 . 0 0 "[ . 1 . 2]" 1
887 1 148 GLN HA 1 148 GLN HE21 5.230 . 5.230 3.457 2.386 4.463 . 0 0 "[ . 1 . 2]" 1
888 1 147 ASN HB2 1 148 GLN HE21 5.870 . 5.870 4.145 2.749 5.991 0.121 13 0 "[ . 1 . 2]" 1
889 1 148 GLN H 1 149 LEU H 4.320 . 4.320 2.597 2.517 2.729 . 0 0 "[ . 1 . 2]" 1
890 1 147 ASN HA 1 148 GLN H 5.790 . 5.790 3.551 3.500 3.599 . 0 0 "[ . 1 . 2]" 1
891 1 146 LEU HA 1 148 GLN H 5.580 . 5.580 4.000 3.808 4.276 . 0 0 "[ . 1 . 2]" 1
892 1 147 ASN HB2 1 148 GLN H 5.080 . 5.080 3.147 2.565 4.194 . 0 0 "[ . 1 . 2]" 1
893 1 148 GLN H 1 148 GLN HG2 4.410 . 4.410 2.333 2.072 4.015 . 0 0 "[ . 1 . 2]" 1
894 1 148 GLN H 1 148 GLN HG3 4.590 . 4.590 3.693 3.303 3.823 . 0 0 "[ . 1 . 2]" 1
895 1 148 GLN HA 1 148 GLN HE22 5.820 . 5.820 3.837 3.181 5.260 . 0 0 "[ . 1 . 2]" 1
896 1 148 GLN HB3 1 148 GLN HE22 5.660 . 5.660 4.592 3.671 5.399 . 0 0 "[ . 1 . 2]" 1
897 1 146 LEU HA 1 149 LEU H 4.810 . 4.810 2.799 2.661 3.010 . 0 0 "[ . 1 . 2]" 1
898 1 148 GLN HA 1 149 LEU H 5.420 . 5.420 3.541 3.490 3.565 . 0 0 "[ . 1 . 2]" 1
899 1 36 TRP HB3 1 149 LEU H 4.910 . 4.910 4.003 3.464 4.269 . 0 0 "[ . 1 . 2]" 1
900 1 148 GLN HB2 1 149 LEU H 5.430 . 5.430 2.766 2.564 3.034 . 0 0 "[ . 1 . 2]" 1
901 1 149 LEU H 1 153 LEU MD1 5.660 . 5.660 5.789 5.651 5.876 0.216 17 0 "[ . 1 . 2]" 1
902 1 149 LEU H 1 149 LEU MD2 5.330 . 5.330 4.324 4.284 4.363 . 0 0 "[ . 1 . 2]" 1
903 1 149 LEU H 1 149 LEU MD1 5.650 . 5.650 4.167 4.098 4.207 . 0 0 "[ . 1 . 2]" 1
904 1 150 GLU H 1 151 LYS H . . 4.530 2.802 2.689 2.972 . 0 0 "[ . 1 . 2]" 1
905 1 149 LEU H 1 150 GLU H 4.440 . 4.440 2.681 2.532 2.824 . 0 0 "[ . 1 . 2]" 1
906 1 147 ASN HA 1 150 GLU H 5.380 . 5.380 3.222 3.014 3.936 . 0 0 "[ . 1 . 2]" 1
907 1 146 LEU HA 1 150 GLU H 5.940 . 5.940 4.072 3.832 4.330 . 0 0 "[ . 1 . 2]" 1
908 1 149 LEU HA 1 150 GLU H 5.590 . 5.590 3.554 3.496 3.613 . 0 0 "[ . 1 . 2]" 1
909 1 150 GLU H 1 150 GLU HB3 3.950 . 3.950 2.520 2.291 2.712 . 0 0 "[ . 1 . 2]" 1
910 1 149 LEU HB3 1 150 GLU H 4.800 . 4.800 2.711 2.488 2.897 . 0 0 "[ . 1 . 2]" 1
911 1 150 GLU H 1 153 LEU MD1 5.400 . 5.400 4.598 4.187 4.947 . 0 0 "[ . 1 . 2]" 1
912 1 149 LEU HB2 1 150 GLU H 5.270 . 5.270 3.971 3.863 4.065 . 0 0 "[ . 1 . 2]" 1
913 1 149 LEU HG 1 150 GLU H 5.730 . 5.730 3.863 3.536 4.153 . 0 0 "[ . 1 . 2]" 1
914 1 149 LEU MD1 1 150 GLU H 5.920 . 5.920 4.392 4.191 4.492 . 0 0 "[ . 1 . 2]" 1
915 1 151 LYS H 1 153 LEU H 5.910 . 5.910 4.386 4.254 4.506 . 0 0 "[ . 1 . 2]" 1
916 1 147 ASN HA 1 151 LYS H 6.120 . 6.120 4.239 3.716 4.804 . 0 0 "[ . 1 . 2]" 1
917 1 148 GLN HA 1 151 LYS H 5.020 . 5.020 3.562 3.052 3.918 . 0 0 "[ . 1 . 2]" 1
918 1 150 GLU HA 1 151 LYS H 5.380 . 5.380 3.584 3.526 3.624 . 0 0 "[ . 1 . 2]" 1
919 1 150 GLU HB3 1 151 LYS H 4.280 . 4.280 2.505 2.318 2.731 . 0 0 "[ . 1 . 2]" 1
920 1 151 LYS H 1 151 LYS QB 3.660 . 3.660 2.437 2.195 2.647 . 0 0 "[ . 1 . 2]" 1
921 1 151 LYS H 1 151 LYS HG2 4.430 . 4.430 3.395 2.102 4.457 0.027 2 0 "[ . 1 . 2]" 1
922 1 151 LYS H 1 151 LYS HG3 4.990 . 4.990 3.293 2.010 4.497 . 0 0 "[ . 1 . 2]" 1
923 1 151 LYS H 1 152 LEU H . . 4.240 2.683 2.500 2.888 . 0 0 "[ . 1 . 2]" 1
924 1 149 LEU HA 1 152 LEU H 5.060 . 5.060 3.480 3.289 3.725 . 0 0 "[ . 1 . 2]" 1
925 1 150 GLU HB3 1 152 LEU H 6.090 . 6.090 4.945 4.648 5.214 . 0 0 "[ . 1 . 2]" 1
926 1 152 LEU H 1 152 LEU HB2 4.040 . 4.040 2.716 2.614 2.844 . 0 0 "[ . 1 . 2]" 1
927 1 152 LEU H 1 152 LEU MD1 . . 5.240 4.298 4.250 4.380 . 0 0 "[ . 1 . 2]" 1
928 1 152 LEU H 1 152 LEU MD2 . . 5.390 4.220 4.170 4.304 . 0 0 "[ . 1 . 2]" 1
929 1 149 LEU MD1 1 152 LEU H 5.450 . 5.450 4.436 4.065 4.704 . 0 0 "[ . 1 . 2]" 1
930 1 151 LYS HA 1 154 ASN HD21 5.670 . 5.670 4.452 3.642 5.190 . 0 0 "[ . 1 . 2]" 1
931 1 150 GLU HG3 1 154 ASN HD21 5.170 . 5.170 3.734 2.805 5.055 . 0 0 "[ . 1 . 2]" 1
932 1 152 LEU H 1 154 ASN H 5.700 . 5.700 4.191 3.936 4.462 . 0 0 "[ . 1 . 2]" 1
933 1 151 LYS HA 1 154 ASN H 5.000 . 5.000 3.724 3.281 4.132 . 0 0 "[ . 1 . 2]" 1
934 1 153 LEU HA 1 154 ASN H 5.020 . 5.020 3.512 3.453 3.570 . 0 0 "[ . 1 . 2]" 1
935 1 154 ASN H 1 154 ASN HB3 3.940 . 3.940 3.604 3.550 3.644 . 0 0 "[ . 1 . 2]" 1
936 1 153 LEU HB2 1 154 ASN H 4.780 . 4.780 2.891 2.577 3.153 . 0 0 "[ . 1 . 2]" 1
937 1 152 LEU HG 1 154 ASN H 5.450 . 5.450 5.259 5.037 5.531 0.081 10 0 "[ . 1 . 2]" 1
938 1 153 LEU HB3 1 154 ASN H 5.040 . 5.040 3.911 3.719 4.093 . 0 0 "[ . 1 . 2]" 1
939 1 153 LEU MD2 1 154 ASN H 6.220 . 6.220 4.746 4.670 4.826 . 0 0 "[ . 1 . 2]" 1
940 1 153 LEU MD1 1 154 ASN H 5.880 . 5.880 4.729 4.456 4.981 . 0 0 "[ . 1 . 2]" 1
941 1 155 GLN H 1 156 LYS H 5.910 . 5.910 3.834 2.776 4.097 . 0 0 "[ . 1 . 2]" 1
942 1 154 ASN HA 1 155 GLN H 3.580 . 3.580 3.464 3.288 3.565 . 0 0 "[ . 1 . 2]" 1
943 1 154 ASN HB2 1 155 GLN H 5.580 . 5.580 3.125 2.554 3.648 . 0 0 "[ . 1 . 2]" 1
944 1 154 ASN HB3 1 155 GLN H 5.650 . 5.650 3.866 3.466 4.213 . 0 0 "[ . 1 . 2]" 1
945 1 155 GLN H 1 155 GLN HG2 4.770 . 4.770 3.433 2.924 3.818 . 0 0 "[ . 1 . 2]" 1
946 1 156 LYS HA 1 157 LEU H 4.280 . 4.280 2.969 2.233 3.503 . 0 0 "[ . 1 . 2]" 1
947 1 156 LYS HB2 1 157 LEU H 6.000 . 6.000 4.275 3.650 4.679 . 0 0 "[ . 1 . 2]" 1
948 1 156 LYS HB3 1 157 LEU H 6.100 . 6.100 4.192 2.961 4.541 . 0 0 "[ . 1 . 2]" 1
949 1 157 LEU H 1 157 LEU HB2 4.280 . 4.280 2.634 2.192 3.213 . 0 0 "[ . 1 . 2]" 1
950 1 145 THR HA 1 146 LEU H 4.840 . 4.840 3.546 3.512 3.577 . 0 0 "[ . 1 . 2]" 1
951 1 5 LYS H 1 6 LYS H 5.590 . 5.590 4.325 4.180 4.515 . 0 0 "[ . 1 . 2]" 1
952 1 5 LYS H 1 11 ILE H 6.280 . 6.280 4.918 4.653 5.136 . 0 0 "[ . 1 . 2]" 1
953 1 4 GLU HG2 1 5 LYS H 5.090 . 5.090 4.198 2.858 5.125 0.035 5 0 "[ . 1 . 2]" 1
954 1 4 GLU HG3 1 5 LYS H 5.440 . 5.440 3.343 2.589 4.648 . 0 0 "[ . 1 . 2]" 1
955 1 153 LEU H 1 155 GLN H 6.300 . 6.300 3.845 3.656 4.142 . 0 0 "[ . 1 . 2]" 1
956 1 152 LEU HA 1 155 GLN H 5.600 . 5.600 3.745 3.414 4.200 . 0 0 "[ . 1 . 2]" 1
957 1 152 LEU HB3 1 154 ASN H 5.910 . 5.910 4.922 4.771 5.154 . 0 0 "[ . 1 . 2]" 1
958 1 151 LYS HA 1 154 ASN HD22 6.300 . 6.300 5.450 4.775 6.148 . 0 0 "[ . 1 . 2]" 1
959 1 150 GLU HG2 1 154 ASN HD22 . . 6.270 3.695 2.600 5.128 . 0 0 "[ . 1 . 2]" 1
960 1 152 LEU HB2 1 153 LEU H 5.320 . 5.320 3.935 3.851 4.019 . 0 0 "[ . 1 . 2]" 1
961 1 152 LEU HB3 1 153 LEU H 4.800 . 4.800 2.565 2.433 2.716 . 0 0 "[ . 1 . 2]" 1
962 1 152 LEU HA 1 153 LEU H . . 5.750 3.581 3.543 3.599 . 0 0 "[ . 1 . 2]" 1
963 1 153 LEU H 1 154 ASN HA 6.290 . 6.290 5.250 5.167 5.311 . 0 0 "[ . 1 . 2]" 1
964 1 150 GLU H 1 152 LEU H 6.060 . 6.060 4.109 3.904 4.225 . 0 0 "[ . 1 . 2]" 1
965 1 152 LEU H 1 153 LEU MD1 6.180 . 6.180 5.346 5.052 5.565 . 0 0 "[ . 1 . 2]" 1
966 1 148 GLN H 1 151 LYS H 6.300 . 6.300 4.920 4.627 5.318 . 0 0 "[ . 1 . 2]" 1
967 1 150 GLU HG2 1 151 LYS H . . 5.550 3.789 3.148 4.841 . 0 0 "[ . 1 . 2]" 1
968 1 147 ASN H 1 150 GLU H 6.250 . 6.250 4.655 4.444 5.176 . 0 0 "[ . 1 . 2]" 1
969 1 150 GLU H 1 153 LEU H 6.080 . 6.080 4.863 4.716 4.997 . 0 0 "[ . 1 . 2]" 1
970 1 146 LEU HB2 1 148 GLN H 6.300 . 6.300 5.293 5.102 5.559 . 0 0 "[ . 1 . 2]" 1
971 1 147 ASN HB3 1 148 GLN H . . 6.210 3.497 2.477 3.869 . 0 0 "[ . 1 . 2]" 1
972 1 145 THR HA 1 147 ASN H 5.910 . 5.910 4.254 4.131 4.369 . 0 0 "[ . 1 . 2]" 1
973 1 145 THR HB 1 147 ASN H 6.240 . 6.240 5.050 4.882 5.235 . 0 0 "[ . 1 . 2]" 1
974 1 146 LEU H 1 149 LEU HB3 5.510 . 5.510 5.070 4.752 5.276 . 0 0 "[ . 1 . 2]" 1
975 1 146 LEU H 1 146 LEU MD1 . . 5.150 3.854 3.578 4.112 . 0 0 "[ . 1 . 2]" 1
976 1 143 ASN H 1 145 THR H 6.230 . 6.230 4.318 4.043 4.586 . 0 0 "[ . 1 . 2]" 1
977 1 140 THR MG 1 144 SER H 6.300 . 6.300 4.335 3.891 5.790 . 0 0 "[ . 1 . 2]" 1
978 1 142 MET HG3 1 143 ASN H 5.290 . 5.290 4.564 4.351 4.953 . 0 0 "[ . 1 . 2]" 1
979 1 142 MET HA 1 143 ASN H 5.120 . 5.120 3.559 3.509 3.604 . 0 0 "[ . 1 . 2]" 1
980 1 20 ILE HA 1 21 ASN H 6.300 . 6.300 3.472 3.425 3.542 . 0 0 "[ . 1 . 2]" 1
981 1 139 GLU H 1 142 MET H 6.300 . 6.300 4.847 4.670 5.078 . 0 0 "[ . 1 . 2]" 1
982 1 138 VAL MG2 1 141 GLY H 6.300 . 6.300 4.482 4.099 4.847 . 0 0 "[ . 1 . 2]" 1
983 1 138 VAL HA 1 141 GLY H 4.490 . 4.490 3.286 2.912 3.563 . 0 0 "[ . 1 . 2]" 1
984 1 138 VAL HB 1 139 GLU H 4.950 . 4.950 4.113 4.010 4.214 . 0 0 "[ . 1 . 2]" 1
985 1 136 MET H 1 138 VAL H 4.890 . 4.890 4.234 4.071 4.577 . 0 0 "[ . 1 . 2]" 1
986 1 133 ALA H 1 136 MET H 6.300 . 6.300 4.634 4.504 4.830 . 0 0 "[ . 1 . 2]" 1
987 1 135 ASP HB3 1 136 MET H 4.590 . 4.590 3.864 3.665 4.068 . 0 0 "[ . 1 . 2]" 1
988 1 132 GLN H 1 134 ILE H . . 5.930 4.202 4.025 4.404 . 0 0 "[ . 1 . 2]" 1
989 1 131 GLN HE21 1 134 ILE H 6.070 . 6.070 4.219 3.906 5.704 . 0 0 "[ . 1 . 2]" 1
990 1 128 SER HA 1 132 GLN H 4.570 . 4.570 4.421 3.758 4.793 0.223 20 0 "[ . 1 . 2]" 1
991 1 132 GLN H 1 135 ASP H 6.300 . 6.300 4.874 4.646 5.223 . 0 0 "[ . 1 . 2]" 1
992 1 131 GLN HE21 1 134 ILE HB 5.190 . 5.190 2.518 2.102 3.884 . 0 0 "[ . 1 . 2]" 1
993 1 126 THR H 1 126 THR MG 4.710 . 4.710 3.054 2.565 3.561 . 0 0 "[ . 1 . 2]" 1
994 1 126 THR H 1 129 ALA MB 3.980 . 3.980 3.281 1.831 4.095 0.115 16 0 "[ . 1 . 2]" 1
995 1 125 PRO HB3 1 126 THR H 4.980 . 4.980 4.229 3.327 4.707 . 0 0 "[ . 1 . 2]" 1
996 1 8 ASN HB2 1 126 THR H 4.900 . 4.900 3.140 2.212 4.283 . 0 0 "[ . 1 . 2]" 1
997 1 124 PHE HB2 1 126 THR H 4.810 . 4.810 4.537 4.001 4.886 0.076 15 0 "[ . 1 . 2]" 1
998 1 124 PHE HB3 1 126 THR H 5.160 . 5.160 4.130 3.223 4.762 . 0 0 "[ . 1 . 2]" 1
999 1 125 PRO HD2 1 126 THR H 4.880 . 4.880 3.973 2.837 4.715 . 0 0 "[ . 1 . 2]" 1
1000 1 124 PHE HA 1 126 THR H 5.320 . 5.320 4.970 4.645 5.401 0.081 1 0 "[ . 1 . 2]" 1
1001 1 8 ASN HD22 1 124 PHE H 5.440 . 5.440 5.309 4.499 5.576 0.136 10 0 "[ . 1 . 2]" 1
1002 1 103 MET ME 1 124 PHE H 6.300 . 6.300 3.530 3.063 4.754 . 0 0 "[ . 1 . 2]" 1
1003 1 123 THR H 1 124 PHE HA 5.390 . 5.390 5.192 4.795 5.412 0.022 16 0 "[ . 1 . 2]" 1
1004 1 122 SER HB2 1 123 THR H 6.300 . 6.300 4.241 2.986 4.495 . 0 0 "[ . 1 . 2]" 1
1005 1 105 ILE HG13 1 123 THR H 6.300 . 6.300 4.373 3.655 4.882 . 0 0 "[ . 1 . 2]" 1
1006 1 12 PHE H 1 122 SER H 5.600 . 5.600 4.148 3.705 4.874 . 0 0 "[ . 1 . 2]" 1
1007 1 120 SER H 1 121 THR H 6.300 . 6.300 4.365 4.248 4.593 . 0 0 "[ . 1 . 2]" 1
1008 1 120 SER HB3 1 121 THR H . . 6.080 4.488 4.305 4.577 . 0 0 "[ . 1 . 2]" 1
1009 1 119 THR H 1 120 SER H . . 6.160 4.387 4.286 4.505 . 0 0 "[ . 1 . 2]" 1
1010 1 118 VAL H 1 119 THR H 6.130 . 6.130 4.208 4.059 4.343 . 0 0 "[ . 1 . 2]" 1
1011 1 108 ASN HB3 1 119 THR H 5.870 . 5.870 4.968 3.819 5.593 . 0 0 "[ . 1 . 2]" 1
1012 1 108 ASN HB2 1 119 THR H 6.000 . 6.000 4.567 3.683 5.642 . 0 0 "[ . 1 . 2]" 1
1013 1 118 VAL HB 1 119 THR H 6.300 . 6.300 4.415 4.196 4.489 . 0 0 "[ . 1 . 2]" 1
1014 1 117 THR H 1 118 VAL H 6.080 . 6.080 4.013 3.731 4.351 . 0 0 "[ . 1 . 2]" 1
1015 1 84 GLU HA 1 107 LEU H 4.910 . 4.910 3.556 2.927 3.814 . 0 0 "[ . 1 . 2]" 1
1016 1 106 THR H 1 107 LEU H . . 5.690 4.220 4.130 4.320 . 0 0 "[ . 1 . 2]" 1
1017 1 106 THR H 1 121 THR MG 6.300 . 6.300 4.072 3.529 4.563 . 0 0 "[ . 1 . 2]" 1
1018 1 105 ILE H 1 106 THR H 5.840 . 5.840 4.434 4.289 4.580 . 0 0 "[ . 1 . 2]" 1
1019 1 105 ILE H 1 105 ILE MD . . 5.210 2.466 2.168 2.773 . 0 0 "[ . 1 . 2]" 1
1020 1 103 MET HB2 1 104 HIS H . . 5.670 4.380 3.979 4.608 . 0 0 "[ . 1 . 2]" 1
1021 1 99 SER HB2 1 100 MET H 5.930 . 5.930 3.778 2.444 4.691 . 0 0 "[ . 1 . 2]" 1
1022 1 98 THR H 1 100 MET H 6.180 . 6.180 4.241 3.415 5.332 . 0 0 "[ . 1 . 2]" 1
1023 1 97 ASP H 1 99 SER H 6.010 . 6.010 5.128 4.160 6.028 0.018 3 0 "[ . 1 . 2]" 1
1024 1 98 THR HA 1 99 SER H 5.910 . 5.910 3.401 2.261 3.590 . 0 0 "[ . 1 . 2]" 1
1025 1 97 ASP HB2 1 98 THR H 6.300 . 6.300 4.035 3.515 4.581 . 0 0 "[ . 1 . 2]" 1
1026 1 90 ALA H 1 97 ASP H 6.300 . 6.300 4.904 4.607 5.115 . 0 0 "[ . 1 . 2]" 1
1027 1 95 GLU H 1 96 LYS H 6.300 . 6.300 3.811 2.684 4.513 . 0 0 "[ . 1 . 2]" 1
1028 1 96 LYS H 1 97 ASP H 5.420 . 5.420 4.467 4.237 4.681 . 0 0 "[ . 1 . 2]" 1
1029 1 44 VAL H 1 45 THR HA 6.300 . 6.300 4.837 4.705 4.963 . 0 0 "[ . 1 . 2]" 1
1030 1 95 GLU HB2 1 96 LYS H 5.110 . 5.110 2.150 1.854 3.019 . 0 0 "[ . 1 . 2]" 1
1031 1 96 LYS H 1 96 LYS HG3 5.180 . 5.180 4.270 1.891 4.854 . 0 0 "[ . 1 . 2]" 1
1032 1 95 GLU H 1 95 GLU HG2 4.830 . 4.830 2.888 2.107 4.046 . 0 0 "[ . 1 . 2]" 1
1033 1 90 ALA HA 1 95 GLU H 6.290 . 6.290 5.187 4.034 6.230 . 0 0 "[ . 1 . 2]" 1
1034 1 92 SER H 1 94 GLY H 6.300 . 6.300 3.670 2.711 4.389 . 0 0 "[ . 1 . 2]" 1
1035 1 93 LYS H 1 94 GLY HA2 6.300 . 6.300 5.054 4.697 5.394 . 0 0 "[ . 1 . 2]" 1
1036 1 91 THR MG 1 93 LYS H 4.600 . 4.600 2.273 1.699 4.029 . 0 0 "[ . 1 . 2]" 1
1037 1 91 THR HB 1 92 SER H 4.400 . 4.400 3.953 3.620 4.554 0.154 12 0 "[ . 1 . 2]" 1
1038 1 69 TYR HB2 1 91 THR H 6.300 . 6.300 4.591 3.420 5.475 . 0 0 "[ . 1 . 2]" 1
1039 1 91 THR H 1 92 SER H 5.510 . 5.510 3.437 2.649 4.674 . 0 0 "[ . 1 . 2]" 1
1040 1 89 PHE QD 1 90 ALA H . . 5.430 3.372 2.666 4.562 . 0 0 "[ . 1 . 2]" 1
1041 1 70 THR HA 1 90 ALA H 4.790 . 4.790 2.119 1.827 3.229 . 0 0 "[ . 1 . 2]" 1
1042 1 90 ALA H 1 91 THR HA 6.300 . 6.300 5.377 5.078 5.554 . 0 0 "[ . 1 . 2]" 1
1043 1 69 TYR HB3 1 90 ALA H 6.220 . 6.220 4.547 4.182 4.869 . 0 0 "[ . 1 . 2]" 1
1044 1 89 PHE H 1 90 ALA H 6.250 . 6.250 4.569 4.423 4.720 . 0 0 "[ . 1 . 2]" 1
1045 1 87 ASP H 1 88 TYR H 6.240 . 6.240 4.220 4.004 4.356 . 0 0 "[ . 1 . 2]" 1
1046 1 72 ALA HA 1 86 LEU H 6.230 . 6.230 4.338 3.817 5.305 . 0 0 "[ . 1 . 2]" 1
1047 1 85 TYR HB3 1 86 LEU H 4.730 . 4.730 3.746 3.600 4.049 . 0 0 "[ . 1 . 2]" 1
1048 1 85 TYR HB2 1 86 LEU H 5.070 . 5.070 2.416 2.143 2.930 . 0 0 "[ . 1 . 2]" 1
1049 1 73 GLU HB2 1 86 LEU H 5.350 . 5.350 3.193 2.865 3.662 . 0 0 "[ . 1 . 2]" 1
1050 1 86 LEU H 1 86 LEU MD2 . . 4.680 3.784 3.337 3.962 . 0 0 "[ . 1 . 2]" 1
1051 1 84 GLU H 1 85 TYR H 6.040 . 6.040 4.221 4.121 4.334 . 0 0 "[ . 1 . 2]" 1
1052 1 75 LEU H 1 84 GLU H 6.300 . 6.300 4.987 4.668 5.229 . 0 0 "[ . 1 . 2]" 1
1053 1 83 ILE HG13 1 84 GLU H 5.650 . 5.650 4.659 4.537 5.216 . 0 0 "[ . 1 . 2]" 1
1054 1 84 GLU H 1 85 TYR HB3 5.490 . 5.490 4.600 4.369 4.791 . 0 0 "[ . 1 . 2]" 1
1055 1 83 ILE H 1 84 GLU H 5.520 . 5.520 4.402 4.319 4.455 . 0 0 "[ . 1 . 2]" 1
1056 1 82 TYR H 1 83 ILE H 5.630 . 5.630 4.249 4.081 4.415 . 0 0 "[ . 1 . 2]" 1
1057 1 81 TYR QD 1 82 TYR H 5.480 . 5.480 4.287 3.216 4.640 . 0 0 "[ . 1 . 2]" 1
1058 1 82 TYR H 1 82 TYR QD 5.470 . 5.470 4.485 4.395 4.559 . 0 0 "[ . 1 . 2]" 1
1059 1 79 ALA HA 1 82 TYR H 5.320 . 5.320 5.178 5.020 5.373 0.053 16 0 "[ . 1 . 2]" 1
1060 1 79 ALA H 1 81 TYR H 6.300 . 6.300 5.087 4.851 5.611 . 0 0 "[ . 1 . 2]" 1
1061 1 76 GLN H 1 77 VAL H . . 6.050 4.123 3.996 4.343 . 0 0 "[ . 1 . 2]" 1
1062 1 76 GLN H 1 85 TYR H 6.300 . 6.300 5.131 4.803 5.577 . 0 0 "[ . 1 . 2]" 1
1063 1 76 GLN H 1 84 GLU HA 6.300 . 6.300 4.708 4.588 5.004 . 0 0 "[ . 1 . 2]" 1
1064 1 76 GLN H 1 76 GLN HG3 5.220 . 5.220 3.958 3.163 4.849 . 0 0 "[ . 1 . 2]" 1
1065 1 74 TYR HA 1 75 LEU H . . 4.640 2.174 2.128 2.249 . 0 0 "[ . 1 . 2]" 1
1066 1 75 LEU H 1 85 TYR HB3 6.120 . 6.120 3.779 3.207 4.241 . 0 0 "[ . 1 . 2]" 1
1067 1 55 GLY H 1 74 TYR H 6.220 . 6.220 3.832 3.365 4.160 . 0 0 "[ . 1 . 2]" 1
1068 1 73 GLU H 1 74 TYR H 6.230 . 6.230 4.378 4.316 4.436 . 0 0 "[ . 1 . 2]" 1
1069 1 73 GLU H 1 88 TYR H 5.900 . 5.900 3.885 3.312 4.455 . 0 0 "[ . 1 . 2]" 1
1070 1 71 ILE MG 1 73 GLU H 5.670 . 5.670 3.751 3.288 4.195 . 0 0 "[ . 1 . 2]" 1
1071 1 69 TYR HB2 1 70 THR H 5.660 . 5.660 3.965 3.806 4.241 . 0 0 "[ . 1 . 2]" 1
1072 1 69 TYR H 1 90 ALA MB 5.430 . 5.430 4.212 3.840 4.485 . 0 0 "[ . 1 . 2]" 1
1073 1 67 ILE QG 1 68 SER H . . 4.920 4.369 4.274 4.469 . 0 0 "[ . 1 . 2]" 1
1074 1 67 ILE MG 1 68 SER H 4.470 . 4.470 3.094 2.751 3.219 . 0 0 "[ . 1 . 2]" 1
1075 1 60 ALA HA 1 68 SER H 6.300 . 6.300 4.909 4.287 5.457 . 0 0 "[ . 1 . 2]" 1
1076 1 63 ALA H 1 67 ILE H 5.800 . 5.800 4.882 4.782 5.022 . 0 0 "[ . 1 . 2]" 1
1077 1 67 ILE H 1 68 SER H 4.830 . 4.830 4.146 4.017 4.326 . 0 0 "[ . 1 . 2]" 1
1078 1 63 ALA HA 1 65 GLN H 5.290 . 5.290 4.373 4.097 4.876 . 0 0 "[ . 1 . 2]" 1
1079 1 63 ALA H 1 64 PRO HD2 6.300 . 6.300 5.024 4.826 5.394 . 0 0 "[ . 1 . 2]" 1
1080 1 62 GLN HG2 1 63 ALA H 5.390 . 5.390 4.731 4.322 5.405 0.015 7 0 "[ . 1 . 2]" 1
1081 1 44 VAL HA 1 60 ALA H 5.710 . 5.710 4.425 4.096 4.697 . 0 0 "[ . 1 . 2]" 1
1082 1 47 TYR QD 1 60 ALA H . . 5.890 3.948 3.603 4.393 . 0 0 "[ . 1 . 2]" 1
1083 1 45 THR H 1 60 ALA H 4.600 . 4.600 3.012 2.491 3.496 . 0 0 "[ . 1 . 2]" 1
1084 1 46 VAL H 1 60 ALA H 5.580 . 5.580 4.824 4.640 4.993 . 0 0 "[ . 1 . 2]" 1
1085 1 47 TYR H 1 60 ALA H 5.580 . 5.580 4.494 4.258 4.760 . 0 0 "[ . 1 . 2]" 1
1086 1 59 TYR H 1 71 ILE HA . . 5.030 3.305 3.029 3.603 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ALA H 1 58 PHE H 6.120 . 6.120 4.161 3.960 4.395 . 0 0 "[ . 1 . 2]" 1
1088 1 46 VAL MG1 1 58 PHE H 5.800 . 5.800 3.923 3.234 4.193 . 0 0 "[ . 1 . 2]" 1
1089 1 56 SER H 1 73 GLU HA 5.600 . 5.600 4.773 4.385 5.225 . 0 0 "[ . 1 . 2]" 1
1090 1 56 SER H 1 74 TYR H 6.060 . 6.060 4.096 3.845 4.317 . 0 0 "[ . 1 . 2]" 1
1091 1 55 GLY H 1 73 GLU HA 6.300 . 6.300 5.556 5.030 6.031 . 0 0 "[ . 1 . 2]" 1
1092 1 55 GLY H 1 77 VAL MG2 6.300 . 6.300 4.553 4.277 5.024 . 0 0 "[ . 1 . 2]" 1
1093 1 54 GLY H 1 74 TYR HB3 . . 5.470 4.497 4.155 4.788 . 0 0 "[ . 1 . 2]" 1
1094 1 54 GLY H 1 74 TYR HB2 . . 5.120 4.404 3.934 4.729 . 0 0 "[ . 1 . 2]" 1
1095 1 52 THR H 1 54 GLY H 6.300 . 6.300 4.913 3.590 5.736 . 0 0 "[ . 1 . 2]" 1
1096 1 50 ASN HA 1 52 THR H 6.300 . 6.300 5.150 3.900 5.717 . 0 0 "[ . 1 . 2]" 1
1097 1 52 THR H 1 77 VAL HB 6.300 . 6.300 4.353 3.330 5.756 . 0 0 "[ . 1 . 2]" 1
1098 1 50 ASN H 1 51 ALA H 5.170 . 5.170 3.934 3.767 4.195 . 0 0 "[ . 1 . 2]" 1
1099 1 47 TYR QD 1 48 ASP H 5.990 . 5.990 4.043 3.816 4.325 . 0 0 "[ . 1 . 2]" 1
1100 1 48 ASP H 1 59 TYR HA 6.100 . 6.100 4.168 3.878 4.613 . 0 0 "[ . 1 . 2]" 1
1101 1 48 ASP H 1 58 PHE HB2 5.330 . 5.330 4.764 4.311 5.166 . 0 0 "[ . 1 . 2]" 1
1102 1 46 VAL H 1 47 TYR H 6.300 . 6.300 4.385 4.227 4.532 . 0 0 "[ . 1 . 2]" 1
1103 1 47 TYR H 1 58 PHE H 5.500 . 5.500 5.017 4.398 5.520 0.020 3 0 "[ . 1 . 2]" 1
1104 1 45 THR H 1 46 VAL H . . 5.760 4.209 3.978 4.348 . 0 0 "[ . 1 . 2]" 1
1105 1 37 PHE HB2 1 38 HIS H 6.300 . 6.300 4.634 4.581 4.688 . 0 0 "[ . 1 . 2]" 1
1106 1 38 HIS H 1 39 PRO HD2 6.210 . 6.210 4.889 4.692 5.075 . 0 0 "[ . 1 . 2]" 1
1107 1 33 PHE HA 1 37 PHE H 6.300 . 6.300 3.818 3.562 4.167 . 0 0 "[ . 1 . 2]" 1
1108 1 35 GLN HA 1 37 PHE H 6.300 . 6.300 5.230 5.012 5.486 . 0 0 "[ . 1 . 2]" 1
1109 1 34 GLU HA 1 37 PHE H 6.300 . 6.300 3.822 3.443 4.024 . 0 0 "[ . 1 . 2]" 1
1110 1 36 TRP HB3 1 37 PHE H 6.300 . 6.300 3.988 3.905 4.084 . 0 0 "[ . 1 . 2]" 1
1111 1 34 GLU HA 1 36 TRP H 6.300 . 6.300 4.014 3.579 4.189 . 0 0 "[ . 1 . 2]" 1
1112 1 36 TRP H 1 37 PHE HA . . 6.100 4.928 4.778 5.020 . 0 0 "[ . 1 . 2]" 1
1113 1 27 TYR H 1 36 TRP HE1 6.150 . 6.150 4.737 4.458 5.079 . 0 0 "[ . 1 . 2]" 1
1114 1 32 LEU HA 1 35 GLN H . . 4.870 3.706 3.526 3.985 . 0 0 "[ . 1 . 2]" 1
1115 1 35 GLN HE21 1 152 LEU MD1 . . 4.890 2.742 2.385 4.020 . 0 0 "[ . 1 . 2]" 1
1116 1 35 GLN HE22 1 152 LEU MD1 . . 5.390 2.643 2.285 3.358 . 0 0 "[ . 1 . 2]" 1
1117 1 33 PHE H 1 34 GLU H 4.490 . 4.490 2.974 2.849 3.056 . 0 0 "[ . 1 . 2]" 1
1118 1 32 LEU HA 1 34 GLU H 6.300 . 6.300 4.756 4.505 4.931 . 0 0 "[ . 1 . 2]" 1
1119 1 29 LYS H 1 33 PHE H 6.130 . 6.130 4.595 4.384 4.910 . 0 0 "[ . 1 . 2]" 1
1120 1 25 ASP HA 1 26 ALA H . . 5.080 3.459 3.399 3.530 . 0 0 "[ . 1 . 2]" 1
1121 1 22 LYS H 1 25 ASP H 6.020 . 6.020 4.778 4.517 5.142 . 0 0 "[ . 1 . 2]" 1
1122 1 25 ASP H 1 80 PRO HB3 6.300 . 6.300 5.575 5.124 6.016 . 0 0 "[ . 1 . 2]" 1
1123 1 25 ASP H 1 26 ALA MB 6.150 . 6.150 4.387 4.329 4.451 . 0 0 "[ . 1 . 2]" 1
1124 1 25 ASP H 1 32 LEU MD1 6.060 . 6.060 4.249 3.924 4.596 . 0 0 "[ . 1 . 2]" 1
1125 1 24 PHE H 1 80 PRO HB3 6.300 . 6.300 4.680 3.927 5.746 . 0 0 "[ . 1 . 2]" 1
1126 1 23 VAL MG1 1 24 PHE H 5.400 . 5.400 3.406 3.074 3.562 . 0 0 "[ . 1 . 2]" 1
1127 1 23 VAL MG2 1 24 PHE H 5.270 . 5.270 3.868 3.804 4.005 . 0 0 "[ . 1 . 2]" 1
1128 1 8 ASN H 1 8 ASN HD21 5.590 . 5.590 4.547 4.122 4.802 . 0 0 "[ . 1 . 2]" 1
1129 1 8 ASN H 1 8 ASN HD22 6.300 . 6.300 4.432 4.140 4.645 . 0 0 "[ . 1 . 2]" 1
1130 1 4 GLU H 1 13 THR H 6.130 . 6.130 5.273 4.493 5.906 . 0 0 "[ . 1 . 2]" 1
1131 1 12 PHE H 1 120 SER H 4.920 . 4.920 3.619 3.315 3.935 . 0 0 "[ . 1 . 2]" 1
1132 1 13 THR H 1 14 ARG H 5.100 . 5.100 4.450 4.227 4.562 . 0 0 "[ . 1 . 2]" 1
1133 1 15 THR H 1 16 PHE H 6.300 . 6.300 4.367 4.146 4.563 . 0 0 "[ . 1 . 2]" 1
1134 1 16 PHE H 1 17 SER HA 5.680 . 5.680 5.196 4.794 5.350 . 0 0 "[ . 1 . 2]" 1
1135 1 16 PHE H 1 23 VAL MG1 6.300 . 6.300 4.939 4.484 5.874 . 0 0 "[ . 1 . 2]" 1
1136 1 16 PHE HB3 1 18 ALA H 6.300 . 6.300 4.710 4.313 5.229 . 0 0 "[ . 1 . 2]" 1
1137 1 26 ALA H 1 36 TRP HE1 6.300 . 6.300 5.533 5.211 5.839 . 0 0 "[ . 1 . 2]" 1
1138 1 14 ARG HD3 1 15 THR H . . 5.860 3.882 2.263 5.907 0.047 12 0 "[ . 1 . 2]" 1
1139 1 21 ASN H 1 116 THR MG 6.180 . 6.180 5.140 4.419 5.761 . 0 0 "[ . 1 . 2]" 1
1140 1 22 LYS H 1 153 LEU MD2 . . 6.200 4.791 4.600 5.137 . 0 0 "[ . 1 . 2]" 1
1141 1 24 PHE H 1 26 ALA MB 6.270 . 6.270 4.724 4.452 4.941 . 0 0 "[ . 1 . 2]" 1
1142 1 23 VAL HB 1 25 ASP H 6.110 . 6.110 5.123 4.975 5.421 . 0 0 "[ . 1 . 2]" 1
1143 1 26 ALA H 1 32 LEU HB2 6.300 . 6.300 4.527 4.186 4.863 . 0 0 "[ . 1 . 2]" 1
1144 1 25 ASP HB2 1 28 THR H 6.300 . 6.300 5.368 5.188 5.584 . 0 0 "[ . 1 . 2]" 1
1145 1 32 LEU H 1 35 GLN H 6.300 . 6.300 5.002 4.805 5.174 . 0 0 "[ . 1 . 2]" 1
1146 1 29 LYS H 1 32 LEU H 6.300 . 6.300 4.856 4.716 5.059 . 0 0 "[ . 1 . 2]" 1
1147 1 33 PHE HA 1 35 GLN H 6.300 . 6.300 4.035 3.796 4.282 . 0 0 "[ . 1 . 2]" 1
1148 1 32 LEU H 1 35 GLN HE21 5.930 . 5.930 4.336 3.868 5.193 . 0 0 "[ . 1 . 2]" 1
1149 1 36 TRP H 1 38 HIS HD2 6.300 . 6.300 3.863 3.478 4.328 . 0 0 "[ . 1 . 2]" 1
1150 1 36 TRP H 1 38 HIS H 6.290 . 6.290 5.588 5.397 5.780 . 0 0 "[ . 1 . 2]" 1
1151 1 36 TRP H 1 152 LEU MD1 6.300 . 6.300 4.827 4.356 5.401 . 0 0 "[ . 1 . 2]" 1
1152 1 36 TRP HD1 1 37 PHE H 5.700 . 5.700 3.649 3.419 3.853 . 0 0 "[ . 1 . 2]" 1
1153 1 38 HIS H 1 44 VAL MG1 6.300 . 6.300 4.457 4.119 4.852 . 0 0 "[ . 1 . 2]" 1
1154 1 43 SER H 1 63 ALA HA 5.190 . 5.190 3.568 3.159 4.282 . 0 0 "[ . 1 . 2]" 1
1155 1 43 SER H 1 62 GLN HA 5.810 . 5.810 5.082 4.838 5.219 . 0 0 "[ . 1 . 2]" 1
1156 1 38 HIS HD2 1 44 VAL H . . 5.740 5.094 4.356 5.766 0.026 3 0 "[ . 1 . 2]" 1
1157 1 44 VAL H 1 62 GLN HB2 4.660 . 4.660 4.504 4.140 4.775 0.115 19 0 "[ . 1 . 2]" 1
1158 1 44 VAL H 1 61 ILE MD 6.300 . 6.300 4.976 4.584 5.328 . 0 0 "[ . 1 . 2]" 1
1159 1 47 TYR H 1 58 PHE HB3 6.300 . 6.300 4.368 3.991 4.714 . 0 0 "[ . 1 . 2]" 1
1160 1 48 ASP H 1 57 ALA MB 5.840 . 5.840 5.001 4.537 5.562 . 0 0 "[ . 1 . 2]" 1
1161 1 54 GLY H 1 77 VAL MG2 6.300 . 6.300 4.467 3.790 5.129 . 0 0 "[ . 1 . 2]" 1
1162 1 52 THR MG 1 54 GLY H 6.300 . 6.300 4.485 3.468 6.006 . 0 0 "[ . 1 . 2]" 1
1163 1 53 LYS HB3 1 54 GLY H . . 6.040 4.214 3.567 4.546 . 0 0 "[ . 1 . 2]" 1
1164 1 53 LYS HB2 1 54 GLY H 6.120 . 6.120 4.366 3.539 4.737 . 0 0 "[ . 1 . 2]" 1
1165 1 58 PHE H 1 71 ILE HA 6.300 . 6.300 4.785 4.467 5.104 . 0 0 "[ . 1 . 2]" 1
1166 1 60 ALA HA 1 70 THR H 5.310 . 5.310 3.136 2.621 3.489 . 0 0 "[ . 1 . 2]" 1
1167 1 71 ILE H 1 71 ILE MD . . 4.860 3.994 3.755 4.186 . 0 0 "[ . 1 . 2]" 1
1168 1 77 VAL H 1 78 ASP HA 6.300 . 6.300 4.911 4.677 5.059 . 0 0 "[ . 1 . 2]" 1
1169 1 80 PRO HB3 1 81 TYR H 6.300 . 6.300 4.611 4.263 4.755 . 0 0 "[ . 1 . 2]" 1
1170 1 79 ALA MB 1 82 TYR H 5.410 . 5.410 3.411 3.097 3.906 . 0 0 "[ . 1 . 2]" 1
1171 1 85 TYR H 1 86 LEU H 6.300 . 6.300 4.400 4.335 4.443 . 0 0 "[ . 1 . 2]" 1
1172 1 86 LEU MD2 1 87 ASP H 4.860 . 4.860 3.907 3.531 4.126 . 0 0 "[ . 1 . 2]" 1
1173 1 86 LEU MD1 1 87 ASP H 5.990 . 5.990 5.311 4.734 5.425 . 0 0 "[ . 1 . 2]" 1
1174 1 86 LEU HG 1 87 ASP H 6.030 . 6.030 5.244 4.972 5.347 . 0 0 "[ . 1 . 2]" 1
1175 1 87 ASP H 1 103 MET HB3 . . 4.530 2.849 2.458 3.094 . 0 0 "[ . 1 . 2]" 1
1176 1 87 ASP H 1 103 MET HB2 5.840 . 5.840 4.410 4.083 4.627 . 0 0 "[ . 1 . 2]" 1
1177 1 91 THR HB 1 97 ASP H 6.300 . 6.300 4.742 4.217 6.462 0.162 9 0 "[ . 1 . 2]" 1
1178 1 82 TYR QD 1 109 PHE H 6.150 . 6.150 4.541 3.793 5.777 . 0 0 "[ . 1 . 2]" 1
1179 1 113 LYS HB2 1 115 LYS H 5.030 . 5.030 3.945 3.098 5.042 0.012 6 0 "[ . 1 . 2]" 1
1180 1 107 LEU HG 1 121 THR H 6.300 . 6.300 4.165 3.534 5.233 . 0 0 "[ . 1 . 2]" 1
1181 1 126 THR H 1 130 ALA MB 5.860 . 5.860 5.343 4.491 5.865 0.005 12 0 "[ . 1 . 2]" 1
1182 1 129 ALA MB 1 131 GLN H 6.280 . 6.280 4.660 4.373 4.906 . 0 0 "[ . 1 . 2]" 1
1183 1 131 GLN H 1 133 ALA MB 5.950 . 5.950 4.767 4.548 5.059 . 0 0 "[ . 1 . 2]" 1
1184 1 129 ALA MB 1 132 GLN H . . 5.800 4.824 4.587 5.052 . 0 0 "[ . 1 . 2]" 1
1185 1 133 ALA H 1 138 VAL MG1 5.550 . 5.550 4.837 4.494 5.561 0.010 17 0 "[ . 1 . 2]" 1
1186 1 10 ILE MD 1 133 ALA H . . 4.160 4.067 3.847 4.286 0.126 4 0 "[ . 1 . 2]" 1
1187 1 133 ALA H 1 138 VAL MG2 6.300 . 6.300 5.868 5.582 6.420 0.120 10 0 "[ . 1 . 2]" 1
1188 1 132 GLN HG3 1 133 ALA H 5.930 . 5.930 4.708 2.532 5.317 . 0 0 "[ . 1 . 2]" 1
1189 1 134 ILE H 1 138 VAL MG2 6.280 . 6.280 5.618 5.006 6.490 0.210 10 0 "[ . 1 . 2]" 1
1190 1 146 LEU H 1 149 LEU H 5.330 . 5.330 4.642 4.457 4.916 . 0 0 "[ . 1 . 2]" 1
1191 1 145 THR MG 1 148 GLN H 6.300 . 6.300 4.680 4.553 4.905 . 0 0 "[ . 1 . 2]" 1
1192 1 148 GLN HG3 1 149 LEU H 6.300 . 6.300 5.037 4.842 5.208 . 0 0 "[ . 1 . 2]" 1
1193 1 146 LEU MD2 1 149 LEU H 6.300 . 6.300 4.221 3.976 4.529 . 0 0 "[ . 1 . 2]" 1
1194 1 145 THR MG 1 149 LEU H 6.300 . 6.300 4.552 4.304 4.911 . 0 0 "[ . 1 . 2]" 1
1195 1 108 ASN H 1 119 THR MG 5.310 . 5.310 4.344 3.973 4.590 . 0 0 "[ . 1 . 2]" 1
1196 1 108 ASN H 1 119 THR HA 6.300 . 6.300 4.798 4.559 5.045 . 0 0 "[ . 1 . 2]" 1
1197 1 12 PHE H 1 119 THR MG 6.300 . 6.300 3.667 3.218 4.423 . 0 0 "[ . 1 . 2]" 1
1198 1 14 ARG H 1 119 THR HA 4.860 . 4.860 3.774 3.330 4.442 . 0 0 "[ . 1 . 2]" 1
1199 1 119 THR H 1 119 THR MG 3.920 . 3.920 3.790 3.726 3.833 . 0 0 "[ . 1 . 2]" 1
1200 1 117 THR MG 1 119 THR H 4.040 . 4.040 4.043 3.550 4.217 0.177 4 0 "[ . 1 . 2]" 1
1201 1 107 LEU HA 1 119 THR H 6.270 . 6.270 5.010 4.696 5.406 . 0 0 "[ . 1 . 2]" 1
1202 1 81 TYR HA 1 81 TYR QD . . 4.390 2.930 2.400 3.806 . 0 0 "[ . 1 . 2]" 1
1203 1 58 PHE HA 1 71 ILE HA . . 5.100 2.521 2.249 2.810 . 0 0 "[ . 1 . 2]" 1
1204 1 3 ILE HA 1 12 PHE HA . . 4.770 4.136 2.636 4.876 0.106 11 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1218
_Distance_constraint_stats_list.Viol_count 1139
_Distance_constraint_stats_list.Viol_total 2431.198
_Distance_constraint_stats_list.Viol_max 0.429
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.1067
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 ILE 2.328 0.217 7 0 "[ . 1 . 2]"
1 4 GLU 2.968 0.217 7 0 "[ . 1 . 2]"
1 5 LYS 2.117 0.383 1 0 "[ . 1 . 2]"
1 6 LYS 3.059 0.263 12 0 "[ . 1 . 2]"
1 7 LYS 0.342 0.115 10 0 "[ . 1 . 2]"
1 8 ASN 0.368 0.115 10 0 "[ . 1 . 2]"
1 9 LYS 4.126 0.420 2 0 "[ . 1 . 2]"
1 10 ILE 0.773 0.133 14 0 "[ . 1 . 2]"
1 11 ILE 0.235 0.104 12 0 "[ . 1 . 2]"
1 12 PHE 9.797 0.323 18 0 "[ . 1 . 2]"
1 13 THR 0.658 0.199 16 0 "[ . 1 . 2]"
1 14 ARG 0.906 0.199 16 0 "[ . 1 . 2]"
1 15 THR 0.922 0.311 17 0 "[ . 1 . 2]"
1 16 PHE 0.244 0.087 9 0 "[ . 1 . 2]"
1 17 SER 0.361 0.092 13 0 "[ . 1 . 2]"
1 18 ALA 1.097 0.195 18 0 "[ . 1 . 2]"
1 19 PRO 4.306 0.422 9 0 "[ . 1 . 2]"
1 20 ILE 5.050 0.303 12 0 "[ . 1 . 2]"
1 21 ASN 0.888 0.231 16 0 "[ . 1 . 2]"
1 22 LYS 7.208 0.422 9 0 "[ . 1 . 2]"
1 23 VAL 4.254 0.303 12 0 "[ . 1 . 2]"
1 24 PHE 1.573 0.171 18 0 "[ . 1 . 2]"
1 25 ASP 0.126 0.054 9 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 2.345 0.271 3 0 "[ . 1 . 2]"
1 28 THR 6.532 0.373 10 0 "[ . 1 . 2]"
1 29 LYS 3.977 0.373 10 0 "[ . 1 . 2]"
1 30 ARG 9.370 0.376 8 0 "[ . 1 . 2]"
1 31 GLU 1.024 0.153 8 0 "[ . 1 . 2]"
1 32 LEU 7.264 0.328 20 0 "[ . 1 . 2]"
1 33 PHE 0.286 0.056 7 0 "[ . 1 . 2]"
1 34 GLU 5.907 0.376 8 0 "[ . 1 . 2]"
1 35 GLN 4.127 0.181 2 0 "[ . 1 . 2]"
1 36 TRP 2.527 0.205 13 0 "[ . 1 . 2]"
1 37 PHE 2.469 0.205 13 0 "[ . 1 . 2]"
1 38 HIS 0.225 0.096 14 0 "[ . 1 . 2]"
1 39 PRO 0.386 0.087 14 0 "[ . 1 . 2]"
1 41 ASP 0.111 0.096 7 0 "[ . 1 . 2]"
1 42 ALA 0.305 0.096 14 0 "[ . 1 . 2]"
1 43 SER 0.580 0.094 16 0 "[ . 1 . 2]"
1 44 VAL 0.280 0.057 9 0 "[ . 1 . 2]"
1 45 THR 0.228 0.155 20 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.078 0.048 19 0 "[ . 1 . 2]"
1 49 PHE 1.103 0.142 4 0 "[ . 1 . 2]"
1 50 ASN 0.089 0.039 20 0 "[ . 1 . 2]"
1 51 ALA 0.150 0.083 4 0 "[ . 1 . 2]"
1 52 THR 0.020 0.020 5 0 "[ . 1 . 2]"
1 53 LYS 1.519 0.221 9 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.089 0.039 20 0 "[ . 1 . 2]"
1 58 PHE 0.078 0.048 19 0 "[ . 1 . 2]"
1 59 TYR 0.217 0.049 10 0 "[ . 1 . 2]"
1 60 ALA 0.174 0.155 20 0 "[ . 1 . 2]"
1 61 ILE 2.378 0.171 3 0 "[ . 1 . 2]"
1 62 GLN 1.906 0.127 20 0 "[ . 1 . 2]"
1 63 ALA 0.808 0.119 6 0 "[ . 1 . 2]"
1 64 PRO 0.154 0.096 7 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 MET 1.443 0.171 3 0 "[ . 1 . 2]"
1 67 ILE 1.736 0.127 20 0 "[ . 1 . 2]"
1 68 SER 0.936 0.112 10 0 "[ . 1 . 2]"
1 69 TYR 0.493 0.123 9 0 "[ . 1 . 2]"
1 70 THR 1.527 0.175 15 0 "[ . 1 . 2]"
1 71 ILE 4.066 0.286 15 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.709 0.134 6 0 "[ . 1 . 2]"
1 74 TYR 0.486 0.102 13 0 "[ . 1 . 2]"
1 75 LEU 0.370 0.099 18 0 "[ . 1 . 2]"
1 76 GLN 0.601 0.169 19 0 "[ . 1 . 2]"
1 77 VAL 1.445 0.221 9 0 "[ . 1 . 2]"
1 78 ASP 0.285 0.094 5 0 "[ . 1 . 2]"
1 79 ALA 0.333 0.090 14 0 "[ . 1 . 2]"
1 80 PRO 1.200 0.152 13 0 "[ . 1 . 2]"
1 81 TYR 0.470 0.194 2 0 "[ . 1 . 2]"
1 82 TYR 0.391 0.281 5 0 "[ . 1 . 2]"
1 83 ILE 3.897 0.269 1 0 "[ . 1 . 2]"
1 84 GLU 0.170 0.047 15 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 2.890 0.228 15 0 "[ . 1 . 2]"
1 88 TYR 1.409 0.160 9 0 "[ . 1 . 2]"
1 89 PHE 3.062 0.232 3 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 5.117 0.399 3 0 "[ . 1 . 2]"
1 92 SER 0.081 0.081 14 0 "[ . 1 . 2]"
1 93 LYS 1.066 0.264 8 0 "[ . 1 . 2]"
1 94 GLY 0.628 0.094 18 0 "[ . 1 . 2]"
1 95 GLU 1.574 0.264 8 0 "[ . 1 . 2]"
1 96 LYS 2.668 0.240 8 0 "[ . 1 . 2]"
1 97 ASP 3.469 0.399 3 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 MET 3.392 0.232 3 0 "[ . 1 . 2]"
1 101 PRO 1.360 0.200 14 0 "[ . 1 . 2]"
1 102 GLY 0.004 0.004 3 0 "[ . 1 . 2]"
1 103 MET 4.305 0.228 15 0 "[ . 1 . 2]"
1 104 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ILE 7.076 0.400 9 0 "[ . 1 . 2]"
1 106 THR 3.585 0.269 1 0 "[ . 1 . 2]"
1 107 LEU 7.584 0.400 9 0 "[ . 1 . 2]"
1 108 ASN 1.006 0.197 5 0 "[ . 1 . 2]"
1 109 PHE 0.631 0.281 5 0 "[ . 1 . 2]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.961 0.311 17 0 "[ . 1 . 2]"
1 116 THR 0.030 0.030 2 0 "[ . 1 . 2]"
1 117 THR 0.114 0.105 18 0 "[ . 1 . 2]"
1 118 VAL 2.392 0.264 12 0 "[ . 1 . 2]"
1 119 THR 1.515 0.264 12 0 "[ . 1 . 2]"
1 120 SER 6.624 0.290 4 0 "[ . 1 . 2]"
1 121 THR 0.751 0.255 13 0 "[ . 1 . 2]"
1 122 SER 1.996 0.420 2 0 "[ . 1 . 2]"
1 123 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PRO 6.360 0.429 13 0 "[ . 1 . 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 SER 0.248 0.101 19 0 "[ . 1 . 2]"
1 129 ALA 0.735 0.153 7 0 "[ . 1 . 2]"
1 130 ALA 6.062 0.429 13 0 "[ . 1 . 2]"
1 131 GLN 5.598 0.383 1 0 "[ . 1 . 2]"
1 132 GLN 5.485 0.290 1 0 "[ . 1 . 2]"
1 133 ALA 0.915 0.160 6 0 "[ . 1 . 2]"
1 134 ILE 0.458 0.144 16 0 "[ . 1 . 2]"
1 135 ASP 0.143 0.143 19 0 "[ . 1 . 2]"
1 136 MET 0.521 0.241 10 0 "[ . 1 . 2]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 VAL 0.315 0.241 10 0 "[ . 1 . 2]"
1 139 GLU 0.479 0.170 10 0 "[ . 1 . 2]"
1 140 THR 0.315 0.289 18 0 "[ . 1 . 2]"
1 141 GLY 0.416 0.289 18 0 "[ . 1 . 2]"
1 142 MET 1.682 0.160 6 0 "[ . 1 . 2]"
1 143 ASN 0.026 0.026 7 0 "[ . 1 . 2]"
1 144 SER 0.127 0.066 15 0 "[ . 1 . 2]"
1 145 THR 0.089 0.089 14 0 "[ . 1 . 2]"
1 146 LEU 4.826 0.323 18 0 "[ . 1 . 2]"
1 147 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 GLN 0.224 0.089 14 0 "[ . 1 . 2]"
1 149 LEU 1.680 0.233 10 0 "[ . 1 . 2]"
1 150 GLU 0.107 0.069 10 0 "[ . 1 . 2]"
1 151 LYS 0.740 0.158 10 0 "[ . 1 . 2]"
1 152 LEU 2.252 0.181 2 0 "[ . 1 . 2]"
1 153 LEU 0.282 0.090 13 0 "[ . 1 . 2]"
1 154 ASN 2.385 0.231 13 0 "[ . 1 . 2]"
1 155 GLN 0.355 0.099 20 0 "[ . 1 . 2]"
1 157 LEU 2.948 0.231 13 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 ILE HA 1 13 THR MG 4.640 . 4.640 3.457 2.899 3.987 . 0 0 "[ . 1 . 2]" 2
2 1 3 ILE MG 1 4 GLU H 5.190 . 5.190 3.575 2.764 3.911 . 0 0 "[ . 1 . 2]" 2
3 1 3 ILE MG 1 12 PHE QD 6.070 . 6.070 2.304 1.678 2.868 . 0 0 "[ . 1 . 2]" 2
4 1 3 ILE MG 1 4 GLU HA 5.550 . 5.550 5.465 3.946 5.709 0.159 15 0 "[ . 1 . 2]" 2
5 1 3 ILE MG 1 139 GLU HA 5.230 . 5.230 4.233 2.466 5.259 0.029 13 0 "[ . 1 . 2]" 2
6 1 3 ILE MG 1 139 GLU HG2 . . 5.200 3.652 2.100 4.918 . 0 0 "[ . 1 . 2]" 2
7 1 20 ILE HB 1 20 ILE MD 3.620 . 3.620 2.465 2.399 2.507 . 0 0 "[ . 1 . 2]" 2
8 1 20 ILE MD 1 81 TYR QD 4.370 . 4.370 3.630 2.247 4.564 0.194 2 0 "[ . 1 . 2]" 2
9 1 139 GLU QB 1 140 THR H 5.750 . 5.750 2.405 2.290 2.650 . 0 0 "[ . 1 . 2]" 2
10 1 3 ILE HG12 1 139 GLU HA 5.410 . 5.410 4.754 3.100 5.580 0.170 10 0 "[ . 1 . 2]" 2
11 1 15 THR MG 1 115 LYS HB2 . . 4.470 2.647 2.144 3.264 . 0 0 "[ . 1 . 2]" 2
12 1 4 GLU HB3 1 11 ILE MG 5.380 . 5.380 3.114 2.488 5.117 . 0 0 "[ . 1 . 2]" 2
13 1 57 ALA H 1 73 GLU HG2 5.830 . 5.830 4.841 3.717 5.767 . 0 0 "[ . 1 . 2]" 2
14 1 73 GLU HG2 1 88 TYR QE 5.750 . 5.750 4.053 3.001 5.755 0.005 5 0 "[ . 1 . 2]" 2
15 1 56 SER QB 1 73 GLU HG2 5.400 . 5.400 3.772 2.278 5.268 . 0 0 "[ . 1 . 2]" 2
16 1 71 ILE MG 1 73 GLU HG2 . . 4.590 2.791 2.234 3.326 . 0 0 "[ . 1 . 2]" 2
17 1 4 GLU HB2 1 11 ILE H 6.300 . 6.300 5.368 4.940 5.663 . 0 0 "[ . 1 . 2]" 2
18 1 3 ILE HA 1 4 GLU HB2 6.220 . 6.220 4.530 4.001 5.737 . 0 0 "[ . 1 . 2]" 2
19 1 4 GLU HB2 1 11 ILE MG 5.340 . 5.340 4.116 3.415 5.148 . 0 0 "[ . 1 . 2]" 2
20 1 4 GLU HG3 1 6 LYS QG 5.250 . 5.250 3.355 2.361 5.331 0.081 20 0 "[ . 1 . 2]" 2
21 1 5 LYS HA 1 5 LYS QD 4.270 . 4.270 3.007 2.025 3.684 . 0 0 "[ . 1 . 2]" 2
22 1 6 LYS QG 1 9 LYS H 5.890 . 5.890 5.107 4.261 5.949 0.059 12 0 "[ . 1 . 2]" 2
23 1 6 LYS QG 1 9 LYS QE . . 4.500 4.129 2.282 4.664 0.164 10 0 "[ . 1 . 2]" 2
24 1 46 VAL MG1 1 49 PHE HB2 4.130 . 4.130 2.099 1.855 2.385 . 0 0 "[ . 1 . 2]" 2
25 1 5 LYS HB3 1 6 LYS H 5.910 . 5.910 3.460 2.976 4.191 . 0 0 "[ . 1 . 2]" 2
26 1 5 LYS HB3 1 6 LYS HA . . 5.410 4.718 4.304 5.673 0.263 12 0 "[ . 1 . 2]" 2
27 1 4 GLU HA 1 5 LYS QD 5.620 . 5.620 3.503 2.513 5.656 0.036 17 0 "[ . 1 . 2]" 2
28 1 5 LYS HB2 1 134 ILE MD . . 4.890 4.122 2.365 5.034 0.144 16 0 "[ . 1 . 2]" 2
29 1 17 SER HA 1 115 LYS HG3 4.710 . 4.710 4.055 1.782 4.802 0.092 13 0 "[ . 1 . 2]" 2
30 1 93 LYS HA 1 93 LYS HG3 . . 4.300 3.471 2.904 3.899 . 0 0 "[ . 1 . 2]" 2
31 1 6 LYS QG 1 11 ILE MD 4.480 . 4.480 2.738 2.031 4.215 . 0 0 "[ . 1 . 2]" 2
32 1 30 ARG HB3 1 49 PHE HB2 3.120 . 3.120 2.513 2.070 3.262 0.142 4 0 "[ . 1 . 2]" 2
33 1 22 LYS QE 1 153 LEU MD2 5.320 . 5.320 3.846 2.414 5.007 . 0 0 "[ . 1 . 2]" 2
34 1 6 LYS QB 1 11 ILE MD 5.190 . 5.190 3.918 2.964 4.523 . 0 0 "[ . 1 . 2]" 2
35 1 7 LYS HA 1 7 LYS HD3 5.280 . 5.280 4.102 2.190 4.772 . 0 0 "[ . 1 . 2]" 2
36 1 17 SER HA 1 115 LYS HG2 4.600 . 4.600 2.583 2.034 3.318 . 0 0 "[ . 1 . 2]" 2
37 1 28 THR HB 1 29 LYS QG 4.840 . 4.840 4.220 2.945 5.109 0.269 20 0 "[ . 1 . 2]" 2
38 1 25 ASP HA 1 29 LYS QG 5.460 . 5.460 4.052 2.487 4.944 . 0 0 "[ . 1 . 2]" 2
39 1 15 THR MG 1 115 LYS HG2 4.540 . 4.540 4.020 2.298 4.504 . 0 0 "[ . 1 . 2]" 2
40 1 8 ASN HA 1 130 ALA MB . . 4.250 2.146 1.961 2.429 . 0 0 "[ . 1 . 2]" 2
41 1 73 GLU HG3 1 88 TYR QD 5.390 . 5.390 3.069 2.317 3.484 . 0 0 "[ . 1 . 2]" 2
42 1 73 GLU HG3 1 86 LEU HB2 5.020 . 5.020 3.700 3.130 4.180 . 0 0 "[ . 1 . 2]" 2
43 1 31 GLU HG2 1 32 LEU HG 4.780 . 4.780 2.841 1.989 3.828 . 0 0 "[ . 1 . 2]" 2
44 1 8 ASN HB3 1 130 ALA MB 6.070 . 6.070 4.157 3.959 4.480 . 0 0 "[ . 1 . 2]" 2
45 1 9 LYS HG2 1 121 THR MG 5.290 . 5.290 3.293 2.818 4.063 . 0 0 "[ . 1 . 2]" 2
46 1 9 LYS H 1 9 LYS QE 6.300 . 6.300 5.153 3.856 6.240 . 0 0 "[ . 1 . 2]" 2
47 1 48 ASP QB 1 58 PHE HB3 . . 4.780 2.368 1.783 3.549 . 0 0 "[ . 1 . 2]" 2
48 1 9 LYS HB2 1 9 LYS QE 4.110 . 4.110 2.620 1.979 4.108 . 0 0 "[ . 1 . 2]" 2
49 1 22 LYS HG3 1 23 VAL HB 5.740 . 5.740 5.237 4.413 6.032 0.292 3 0 "[ . 1 . 2]" 2
50 1 22 LYS HG3 1 153 LEU MD2 5.470 . 5.470 3.477 2.029 4.705 . 0 0 "[ . 1 . 2]" 2
51 1 20 ILE QG 1 80 PRO HB3 4.340 . 4.340 3.170 2.197 4.371 0.031 12 0 "[ . 1 . 2]" 2
52 1 6 LYS QE 1 9 LYS HD3 4.470 . 4.470 4.024 2.156 4.595 0.125 4 0 "[ . 1 . 2]" 2
53 1 9 LYS HD3 1 121 THR MG . . 3.940 2.390 1.711 4.195 0.255 13 0 "[ . 1 . 2]" 2
54 1 10 ILE HB 1 122 SER H 6.060 . 6.060 4.307 3.752 4.749 . 0 0 "[ . 1 . 2]" 2
55 1 9 LYS HA 1 10 ILE HB 6.180 . 6.180 4.658 4.533 4.818 . 0 0 "[ . 1 . 2]" 2
56 1 10 ILE HB 1 122 SER HB2 5.180 . 5.180 3.124 2.656 4.197 . 0 0 "[ . 1 . 2]" 2
57 1 10 ILE HB 1 122 SER HB3 . . 5.940 4.212 3.599 4.851 . 0 0 "[ . 1 . 2]" 2
58 1 10 ILE HB 1 130 ALA MB 6.300 . 6.300 4.039 3.729 4.514 . 0 0 "[ . 1 . 2]" 2
59 1 10 ILE MD 1 134 ILE H 5.240 . 5.240 3.362 2.937 3.856 . 0 0 "[ . 1 . 2]" 2
60 1 5 LYS HA 1 10 ILE MD 5.480 . 5.480 5.193 4.656 5.550 0.070 16 0 "[ . 1 . 2]" 2
61 1 10 ILE MD 1 122 SER HB2 5.320 . 5.320 4.671 4.379 5.134 . 0 0 "[ . 1 . 2]" 2
62 1 10 ILE MD 1 122 SER HB3 5.860 . 5.860 5.271 5.016 5.825 . 0 0 "[ . 1 . 2]" 2
63 1 10 ILE MD 1 130 ALA HA 4.810 . 4.810 2.829 2.507 3.201 . 0 0 "[ . 1 . 2]" 2
64 1 10 ILE MD 1 138 VAL HB 5.520 . 5.520 4.065 2.879 5.283 . 0 0 "[ . 1 . 2]" 2
65 1 10 ILE MD 1 133 ALA MB . . 3.650 2.216 1.945 2.536 . 0 0 "[ . 1 . 2]" 2
66 1 4 GLU H 1 10 ILE MG 6.070 . 6.070 4.628 3.302 5.261 . 0 0 "[ . 1 . 2]" 2
67 1 71 ILE MG 1 88 TYR QD 4.750 . 4.750 4.277 2.883 4.843 0.093 9 0 "[ . 1 . 2]" 2
68 1 5 LYS HA 1 10 ILE MG 5.690 . 5.690 4.028 3.267 4.498 . 0 0 "[ . 1 . 2]" 2
69 1 56 SER QB 1 71 ILE MG 4.810 . 4.810 2.862 2.108 4.336 . 0 0 "[ . 1 . 2]" 2
70 1 71 ILE MG 1 88 TYR HB2 5.220 . 5.220 3.714 2.550 4.151 . 0 0 "[ . 1 . 2]" 2
71 1 71 ILE MG 1 73 GLU HG3 . . 4.500 3.814 2.533 4.555 0.055 2 0 "[ . 1 . 2]" 2
72 1 5 LYS QD 1 10 ILE MG 4.800 . 4.800 3.029 2.033 4.169 . 0 0 "[ . 1 . 2]" 2
73 1 10 ILE MG 1 130 ALA MB 4.850 . 4.850 4.462 4.275 4.935 0.085 7 0 "[ . 1 . 2]" 2
74 1 71 ILE MD 1 71 ILE MG . . 3.500 2.042 2.006 2.120 . 0 0 "[ . 1 . 2]" 2
75 1 11 ILE HB 1 12 PHE H 6.300 . 6.300 4.428 4.362 4.547 . 0 0 "[ . 1 . 2]" 2
76 1 10 ILE HA 1 11 ILE HB 5.800 . 5.800 4.628 4.456 4.830 . 0 0 "[ . 1 . 2]" 2
77 1 11 ILE HB 1 13 THR MG 6.060 . 6.060 5.724 5.197 6.164 0.104 12 0 "[ . 1 . 2]" 2
78 1 11 ILE HA 1 122 SER H 5.790 . 5.790 3.174 2.750 3.973 . 0 0 "[ . 1 . 2]" 2
79 1 11 ILE H 1 11 ILE MD 4.700 . 4.700 3.328 1.815 3.953 . 0 0 "[ . 1 . 2]" 2
80 1 10 ILE HA 1 11 ILE MD 5.400 . 5.400 4.563 2.591 5.367 . 0 0 "[ . 1 . 2]" 2
81 1 11 ILE MG 1 12 PHE HA 5.890 . 5.890 4.123 3.958 4.296 . 0 0 "[ . 1 . 2]" 2
82 1 11 ILE MG 1 119 THR HB . . 6.200 4.290 4.040 4.546 . 0 0 "[ . 1 . 2]" 2
83 1 11 ILE MG 1 119 THR MG 3.730 . 3.730 2.040 1.945 2.167 . 0 0 "[ . 1 . 2]" 2
84 1 66 MET H 1 67 ILE QG 5.230 . 5.230 4.301 3.913 4.980 . 0 0 "[ . 1 . 2]" 2
85 1 12 PHE HA 1 13 THR MG 5.900 . 5.900 3.742 3.537 3.933 . 0 0 "[ . 1 . 2]" 2
86 1 11 ILE HA 1 12 PHE HB3 5.720 . 5.720 4.837 4.684 4.995 . 0 0 "[ . 1 . 2]" 2
87 1 12 PHE HB3 1 119 THR MG 5.900 . 5.900 4.903 4.410 5.981 0.081 16 0 "[ . 1 . 2]" 2
88 1 3 ILE MG 1 12 PHE HB3 5.330 . 5.330 4.484 4.136 4.863 . 0 0 "[ . 1 . 2]" 2
89 1 11 ILE HA 1 12 PHE HB2 6.040 . 6.040 4.561 4.356 4.725 . 0 0 "[ . 1 . 2]" 2
90 1 12 PHE HB2 1 120 SER HB3 . . 5.110 5.344 5.273 5.400 0.290 4 0 "[ . 1 . 2]" 2
91 1 3 ILE MG 1 12 PHE HB2 5.540 . 5.540 3.733 3.197 4.215 . 0 0 "[ . 1 . 2]" 2
92 1 11 ILE MG 1 13 THR HB 5.950 . 5.950 3.976 3.473 4.421 . 0 0 "[ . 1 . 2]" 2
93 1 13 THR HA 1 119 THR HA 4.610 . 4.610 2.287 1.930 2.863 . 0 0 "[ . 1 . 2]" 2
94 1 133 ALA HA 1 138 VAL MG2 5.190 . 5.190 4.487 4.120 4.935 . 0 0 "[ . 1 . 2]" 2
95 1 138 VAL MG2 1 142 MET HA 5.550 . 5.550 4.630 4.327 4.931 . 0 0 "[ . 1 . 2]" 2
96 1 53 LYS QD 1 77 VAL MG1 5.410 . 5.410 5.072 4.067 5.631 0.221 9 0 "[ . 1 . 2]" 2
97 1 13 THR MG 1 14 ARG HB2 5.520 . 5.520 5.165 4.877 5.719 0.199 16 0 "[ . 1 . 2]" 2
98 1 28 THR MG 1 77 VAL MG1 4.010 . 4.010 2.540 1.993 3.199 . 0 0 "[ . 1 . 2]" 2
99 1 157 LEU HA 1 157 LEU MD2 4.050 . 4.050 2.409 2.100 3.016 . 0 0 "[ . 1 . 2]" 2
100 1 12 PHE QE 1 14 ARG HG2 5.930 . 5.930 3.743 2.877 5.874 . 0 0 "[ . 1 . 2]" 2
101 1 12 PHE QD 1 146 LEU MD1 4.410 . 4.410 2.698 2.128 3.283 . 0 0 "[ . 1 . 2]" 2
102 1 143 ASN HA 1 146 LEU MD1 5.200 . 5.200 3.183 2.571 4.255 . 0 0 "[ . 1 . 2]" 2
103 1 14 ARG HD3 1 146 LEU MD1 4.940 . 4.940 3.795 2.982 4.749 . 0 0 "[ . 1 . 2]" 2
104 1 14 ARG HB2 1 146 LEU MD1 4.390 . 4.390 2.702 2.374 4.069 . 0 0 "[ . 1 . 2]" 2
105 1 12 PHE QD 1 14 ARG HB2 5.910 . 5.910 3.591 3.045 5.301 . 0 0 "[ . 1 . 2]" 2
106 1 14 ARG HD2 1 15 THR H 5.840 . 5.840 3.688 2.138 5.990 0.150 16 0 "[ . 1 . 2]" 2
107 1 14 ARG HA 1 14 ARG HD2 5.400 . 5.400 3.367 2.019 4.681 . 0 0 "[ . 1 . 2]" 2
108 1 12 PHE QD 1 14 ARG HB3 . . 4.920 4.009 3.009 4.949 0.029 3 0 "[ . 1 . 2]" 2
109 1 87 ASP HB2 1 103 MET HB3 5.060 . 5.060 3.273 3.140 3.426 . 0 0 "[ . 1 . 2]" 2
110 1 103 MET HB3 1 105 ILE MD . . 4.560 3.566 3.263 3.840 . 0 0 "[ . 1 . 2]" 2
111 1 14 ARG HD3 1 16 PHE QE 5.400 . 5.400 4.563 2.365 5.487 0.087 9 0 "[ . 1 . 2]" 2
112 1 14 ARG HA 1 14 ARG HD3 5.620 . 5.620 3.568 2.867 5.280 . 0 0 "[ . 1 . 2]" 2
113 1 14 ARG HD3 1 146 LEU HB3 5.580 . 5.580 4.427 2.259 5.702 0.122 16 0 "[ . 1 . 2]" 2
114 1 14 ARG HA 1 15 THR HB 5.670 . 5.670 4.689 4.559 4.795 . 0 0 "[ . 1 . 2]" 2
115 1 15 THR HB 1 115 LYS QE 5.390 . 5.390 4.382 3.378 5.701 0.311 17 0 "[ . 1 . 2]" 2
116 1 15 THR HB 1 115 LYS HB3 6.120 . 6.120 4.907 4.450 5.355 . 0 0 "[ . 1 . 2]" 2
117 1 15 THR MG 1 115 LYS HA 4.680 . 4.680 4.192 3.833 4.499 . 0 0 "[ . 1 . 2]" 2
118 1 15 THR MG 1 115 LYS HB3 3.720 . 3.720 2.304 1.950 2.668 . 0 0 "[ . 1 . 2]" 2
119 1 138 VAL MG1 1 138 VAL MG2 2.910 . 2.910 2.143 2.118 2.153 . 0 0 "[ . 1 . 2]" 2
120 1 16 PHE HB3 1 18 ALA MB 5.890 . 5.890 3.184 2.682 3.864 . 0 0 "[ . 1 . 2]" 2
121 1 15 THR MG 1 16 PHE HB3 6.300 . 6.300 5.531 5.200 5.843 . 0 0 "[ . 1 . 2]" 2
122 1 46 VAL MG1 1 49 PHE HB3 4.770 . 4.770 3.455 3.168 3.804 . 0 0 "[ . 1 . 2]" 2
123 1 16 PHE HB3 1 153 LEU MD1 . . 5.730 3.117 2.408 3.721 . 0 0 "[ . 1 . 2]" 2
124 1 30 ARG HG2 1 49 PHE HB2 4.000 . 4.000 3.593 2.854 4.123 0.123 12 0 "[ . 1 . 2]" 2
125 1 16 PHE HB2 1 153 LEU MD1 5.390 . 5.390 3.728 3.002 4.353 . 0 0 "[ . 1 . 2]" 2
126 1 46 VAL HA 1 59 TYR QB 4.740 . 4.740 2.219 1.940 2.550 . 0 0 "[ . 1 . 2]" 2
127 1 16 PHE HB2 1 18 ALA MB 4.330 . 4.330 3.375 3.020 3.873 . 0 0 "[ . 1 . 2]" 2
128 1 18 ALA MB 1 22 LYS HB3 4.920 . 4.920 4.436 3.324 5.115 0.195 18 0 "[ . 1 . 2]" 2
129 1 18 ALA MB 1 23 VAL MG2 . . 4.010 2.385 1.986 2.926 . 0 0 "[ . 1 . 2]" 2
130 1 18 ALA MB 1 153 LEU MD2 4.590 . 4.590 3.720 2.594 4.541 . 0 0 "[ . 1 . 2]" 2
131 1 18 ALA MB 1 153 LEU MD1 3.770 . 3.770 2.756 2.131 3.237 . 0 0 "[ . 1 . 2]" 2
132 1 62 GLN HB2 1 67 ILE MG 5.070 . 5.070 4.292 3.309 5.175 0.105 6 0 "[ . 1 . 2]" 2
133 1 49 PHE QD 1 57 ALA MB 3.910 . 3.910 2.684 2.395 3.187 . 0 0 "[ . 1 . 2]" 2
134 1 140 THR HA 1 143 ASN H 5.410 . 5.410 3.674 3.317 4.309 . 0 0 "[ . 1 . 2]" 2
135 1 140 THR HA 1 143 ASN HB2 4.950 . 4.950 3.216 2.386 3.905 . 0 0 "[ . 1 . 2]" 2
136 1 140 THR HA 1 143 ASN HB3 . . 5.050 3.051 2.137 5.076 0.026 7 0 "[ . 1 . 2]" 2
137 1 140 THR HA 1 140 THR MG . . 3.600 2.483 2.365 3.270 . 0 0 "[ . 1 . 2]" 2
138 1 20 ILE MG 1 23 VAL H 5.130 . 5.130 5.178 5.037 5.247 0.117 19 0 "[ . 1 . 2]" 2
139 1 20 ILE MD 1 81 TYR HA 4.800 . 4.800 2.863 1.961 3.831 . 0 0 "[ . 1 . 2]" 2
140 1 20 ILE MD 1 24 PHE HB2 4.600 . 4.600 3.828 1.942 4.686 0.086 3 0 "[ . 1 . 2]" 2
141 1 20 ILE MD 1 80 PRO HB3 4.840 . 4.840 4.210 3.192 4.943 0.103 12 0 "[ . 1 . 2]" 2
142 1 93 LYS HA 1 93 LYS QD 4.640 . 4.640 3.352 2.156 4.332 . 0 0 "[ . 1 . 2]" 2
143 1 20 ILE MG 1 21 ASN HB2 6.170 . 6.170 4.001 3.120 4.584 . 0 0 "[ . 1 . 2]" 2
144 1 132 GLN HA 1 133 ALA H 5.330 . 5.330 3.534 3.502 3.554 . 0 0 "[ . 1 . 2]" 2
145 1 132 GLN HA 1 135 ASP HB2 4.360 . 4.360 2.691 2.270 3.131 . 0 0 "[ . 1 . 2]" 2
146 1 35 GLN HB3 1 152 LEU HA 4.580 . 4.580 4.648 4.262 4.761 0.181 2 0 "[ . 1 . 2]" 2
147 1 90 ALA MB 1 96 LYS HA 4.840 . 4.840 3.265 2.814 3.826 . 0 0 "[ . 1 . 2]" 2
148 1 152 LEU HA 1 152 LEU MD1 . . 3.830 2.421 2.333 2.580 . 0 0 "[ . 1 . 2]" 2
149 1 22 LYS HA 1 153 LEU MD2 . . 6.060 3.720 3.173 4.313 . 0 0 "[ . 1 . 2]" 2
150 1 25 ASP HB3 1 29 LYS QE 4.540 . 4.540 3.903 3.052 4.594 0.054 9 0 "[ . 1 . 2]" 2
151 1 22 LYS HB3 1 23 VAL H 5.580 . 5.580 3.953 2.867 4.284 . 0 0 "[ . 1 . 2]" 2
152 1 28 THR HB 1 29 LYS QB 4.630 . 4.630 4.711 4.200 5.003 0.373 10 0 "[ . 1 . 2]" 2
153 1 29 LYS QB 1 29 LYS QE . . 4.330 3.713 2.183 3.934 . 0 0 "[ . 1 . 2]" 2
154 1 29 LYS QB 1 32 LEU MD1 5.490 . 5.490 2.740 2.039 3.542 . 0 0 "[ . 1 . 2]" 2
155 1 22 LYS HB3 1 153 LEU MD2 . . 4.280 3.018 1.679 4.141 . 0 0 "[ . 1 . 2]" 2
156 1 22 LYS H 1 22 LYS QD 5.810 . 5.810 4.108 3.796 4.610 . 0 0 "[ . 1 . 2]" 2
157 1 28 THR HB 1 29 LYS QD 4.500 . 4.500 3.083 2.319 4.661 0.161 4 0 "[ . 1 . 2]" 2
158 1 22 LYS HA 1 22 LYS QD 4.610 . 4.610 4.326 2.479 4.602 . 0 0 "[ . 1 . 2]" 2
159 1 22 LYS QD 1 153 LEU MD2 4.920 . 4.920 2.998 2.184 4.118 . 0 0 "[ . 1 . 2]" 2
160 1 148 GLN HA 1 151 LYS QB 4.690 . 4.690 2.993 2.220 4.261 . 0 0 "[ . 1 . 2]" 2
161 1 22 LYS HB2 1 23 VAL MG2 5.530 . 5.530 3.860 2.798 4.996 . 0 0 "[ . 1 . 2]" 2
162 1 22 LYS HB2 1 153 LEU MD2 5.460 . 5.460 2.632 1.941 4.568 . 0 0 "[ . 1 . 2]" 2
163 1 23 VAL HA 1 24 PHE H 6.090 . 6.090 3.545 3.510 3.592 . 0 0 "[ . 1 . 2]" 2
164 1 22 LYS H 1 23 VAL HA 6.300 . 6.300 5.218 5.045 5.355 . 0 0 "[ . 1 . 2]" 2
165 1 20 ILE HA 1 23 VAL HA 6.300 . 6.300 5.239 4.821 5.685 . 0 0 "[ . 1 . 2]" 2
166 1 23 VAL HA 1 116 THR MG 6.300 . 6.300 4.991 4.655 6.177 . 0 0 "[ . 1 . 2]" 2
167 1 23 VAL HA 1 26 ALA MB . . 4.330 2.995 2.656 3.355 . 0 0 "[ . 1 . 2]" 2
168 1 23 VAL HA 1 153 LEU MD2 . . 4.230 2.971 2.164 3.837 . 0 0 "[ . 1 . 2]" 2
169 1 23 VAL HA 1 153 LEU MD1 5.100 . 5.100 2.315 2.020 2.720 . 0 0 "[ . 1 . 2]" 2
170 1 23 VAL HA 1 149 LEU HG 6.300 . 6.300 4.624 4.006 5.069 . 0 0 "[ . 1 . 2]" 2
171 1 23 VAL HA 1 149 LEU MD1 . . 4.240 3.571 3.100 3.867 . 0 0 "[ . 1 . 2]" 2
172 1 32 LEU HA 1 32 LEU MD2 3.800 . 3.800 2.147 2.076 2.196 . 0 0 "[ . 1 . 2]" 2
173 1 23 VAL MG2 1 116 THR HB 4.580 . 4.580 2.512 1.915 3.370 . 0 0 "[ . 1 . 2]" 2
174 1 16 PHE HB3 1 23 VAL MG2 5.130 . 5.130 3.435 3.040 4.281 . 0 0 "[ . 1 . 2]" 2
175 1 23 VAL MG2 1 153 LEU MD2 4.290 . 4.290 3.514 2.675 4.244 . 0 0 "[ . 1 . 2]" 2
176 1 23 VAL MG2 1 153 LEU MD1 3.990 . 3.990 1.967 1.617 2.520 . 0 0 "[ . 1 . 2]" 2
177 1 59 TYR QE 1 72 ALA MB 4.980 . 4.980 2.362 2.072 2.881 . 0 0 "[ . 1 . 2]" 2
178 1 72 ALA MB 1 85 TYR QD 4.420 . 4.420 2.470 2.097 2.722 . 0 0 "[ . 1 . 2]" 2
179 1 20 ILE HA 1 23 VAL MG1 5.460 . 5.460 3.698 3.522 4.066 . 0 0 "[ . 1 . 2]" 2
180 1 57 ALA MB 1 72 ALA MB . . 3.970 2.539 2.188 2.905 . 0 0 "[ . 1 . 2]" 2
181 1 23 VAL MG1 1 116 THR MG 4.230 . 4.230 2.426 1.815 4.260 0.030 2 0 "[ . 1 . 2]" 2
182 1 23 VAL MG1 1 153 LEU MD1 4.670 . 4.670 3.073 2.485 3.873 . 0 0 "[ . 1 . 2]" 2
183 1 23 VAL MG1 1 149 LEU MD2 4.400 . 4.400 3.138 2.536 3.739 . 0 0 "[ . 1 . 2]" 2
184 1 24 PHE HA 1 26 ALA H 5.780 . 5.780 4.054 3.840 4.162 . 0 0 "[ . 1 . 2]" 2
185 1 24 PHE HA 1 83 ILE MD 5.960 . 5.960 3.194 2.517 3.707 . 0 0 "[ . 1 . 2]" 2
186 1 20 ILE HA 1 24 PHE HB3 6.260 . 6.260 5.574 4.704 5.934 . 0 0 "[ . 1 . 2]" 2
187 1 24 PHE HB2 1 25 ASP H 5.680 . 5.680 3.908 3.758 4.068 . 0 0 "[ . 1 . 2]" 2
188 1 132 GLN HA 1 135 ASP HB3 5.180 . 5.180 4.306 3.898 4.793 . 0 0 "[ . 1 . 2]" 2
189 1 24 PHE HB2 1 80 PRO HB3 . . 6.130 3.081 2.251 3.898 . 0 0 "[ . 1 . 2]" 2
190 1 25 ASP HB2 1 32 LEU HG 5.800 . 5.800 5.161 4.352 5.819 0.019 14 0 "[ . 1 . 2]" 2
191 1 25 ASP HB2 1 32 LEU MD1 5.050 . 5.050 2.619 2.201 3.018 . 0 0 "[ . 1 . 2]" 2
192 1 124 PHE H 1 130 ALA MB 5.870 . 5.870 3.221 2.713 3.439 . 0 0 "[ . 1 . 2]" 2
193 1 26 ALA MB 1 36 TRP HD1 3.810 . 3.810 3.231 2.808 3.809 . 0 0 "[ . 1 . 2]" 2
194 1 9 LYS HA 1 130 ALA MB 5.790 . 5.790 3.428 2.939 4.465 . 0 0 "[ . 1 . 2]" 2
195 1 26 ALA MB 1 33 PHE HA 4.380 . 4.380 3.984 3.535 4.369 . 0 0 "[ . 1 . 2]" 2
196 1 124 PHE HB2 1 130 ALA MB 4.440 . 4.440 1.837 1.704 1.965 . 0 0 "[ . 1 . 2]" 2
197 1 130 ALA MB 1 131 GLN QB 5.160 . 5.160 3.905 3.792 4.194 . 0 0 "[ . 1 . 2]" 2
198 1 10 ILE QG 1 130 ALA MB 4.730 . 4.730 1.883 1.600 2.428 . 0 0 "[ . 1 . 2]" 2
199 1 10 ILE MD 1 130 ALA MB 3.770 . 3.770 2.701 2.369 3.217 . 0 0 "[ . 1 . 2]" 2
200 1 26 ALA MB 1 153 LEU MD2 . . 3.710 2.406 1.920 3.091 . 0 0 "[ . 1 . 2]" 2
201 1 26 ALA MB 1 153 LEU MD1 5.090 . 5.090 3.065 2.511 3.786 . 0 0 "[ . 1 . 2]" 2
202 1 26 ALA MB 1 149 LEU MD2 4.910 . 4.910 2.802 2.372 3.263 . 0 0 "[ . 1 . 2]" 2
203 1 26 ALA MB 1 149 LEU MD1 3.770 . 3.770 1.899 1.782 2.052 . 0 0 "[ . 1 . 2]" 2
204 1 129 ALA HA 1 132 GLN QB 4.190 . 4.190 2.830 2.365 4.052 . 0 0 "[ . 1 . 2]" 2
205 1 26 ALA HA 1 32 LEU MD1 4.360 . 4.360 2.726 2.477 3.001 . 0 0 "[ . 1 . 2]" 2
206 1 27 TYR HB3 1 28 THR MG . . 5.280 4.831 3.843 5.551 0.271 3 0 "[ . 1 . 2]" 2
207 1 27 TYR HB2 1 83 ILE MD . . 4.740 3.858 3.225 4.597 . 0 0 "[ . 1 . 2]" 2
208 1 28 THR HB 1 51 ALA MB 4.470 . 4.470 3.485 2.383 4.337 . 0 0 "[ . 1 . 2]" 2
209 1 28 THR HA 1 74 TYR QD 5.530 . 5.530 5.258 4.491 5.632 0.102 13 0 "[ . 1 . 2]" 2
210 1 28 THR HA 1 51 ALA MB . . 3.910 2.026 1.736 2.275 . 0 0 "[ . 1 . 2]" 2
211 1 153 LEU HA 1 153 LEU MD2 3.770 . 3.770 2.106 2.052 2.151 . 0 0 "[ . 1 . 2]" 2
212 1 27 TYR HB2 1 28 THR MG 5.420 . 5.420 4.170 2.902 5.141 . 0 0 "[ . 1 . 2]" 2
213 1 152 LEU HG 1 153 LEU MD2 3.920 . 3.920 2.383 2.100 2.788 . 0 0 "[ . 1 . 2]" 2
214 1 149 LEU HG 1 153 LEU MD2 5.540 . 5.540 4.042 3.570 4.374 . 0 0 "[ . 1 . 2]" 2
215 1 149 LEU MD1 1 153 LEU MD2 4.380 . 4.380 2.525 2.177 2.850 . 0 0 "[ . 1 . 2]" 2
216 1 25 ASP H 1 29 LYS QB 6.290 . 6.290 5.782 5.216 6.304 0.014 14 0 "[ . 1 . 2]" 2
217 1 22 LYS QD 1 153 LEU MD1 5.450 . 5.450 3.929 3.205 4.790 . 0 0 "[ . 1 . 2]" 2
218 1 29 LYS QB 1 30 ARG HG3 5.550 . 5.550 4.948 4.376 5.557 0.007 17 0 "[ . 1 . 2]" 2
219 1 30 ARG QD 1 49 PHE QD 6.020 . 6.020 4.488 3.436 5.164 . 0 0 "[ . 1 . 2]" 2
220 1 30 ARG QD 1 49 PHE HB3 5.470 . 5.470 4.130 2.374 5.261 . 0 0 "[ . 1 . 2]" 2
221 1 30 ARG QD 1 46 VAL MG1 4.860 . 4.860 3.117 2.335 4.201 . 0 0 "[ . 1 . 2]" 2
222 1 148 GLN HA 1 151 LYS QD 5.260 . 5.260 3.720 2.188 5.302 0.042 9 0 "[ . 1 . 2]" 2
223 1 52 THR HA 1 77 VAL MG2 4.500 . 4.500 3.149 2.265 3.938 . 0 0 "[ . 1 . 2]" 2
224 1 12 PHE QD 1 146 LEU HG 5.550 . 5.550 4.927 4.065 5.622 0.072 7 0 "[ . 1 . 2]" 2
225 1 73 GLU HG3 1 88 TYR QE . . 4.370 3.096 2.316 4.401 0.031 9 0 "[ . 1 . 2]" 2
226 1 4 GLU HG2 1 6 LYS QG 5.090 . 5.090 3.993 2.530 5.222 0.132 15 0 "[ . 1 . 2]" 2
227 1 31 GLU HG2 1 32 LEU HA 5.260 . 5.260 4.511 3.334 5.311 0.051 20 0 "[ . 1 . 2]" 2
228 1 31 GLU HG3 1 32 LEU HA 5.330 . 5.330 4.587 3.387 5.483 0.153 8 0 "[ . 1 . 2]" 2
229 1 34 GLU HB2 1 46 VAL MG2 3.680 . 3.680 3.201 2.983 3.384 . 0 0 "[ . 1 . 2]" 2
230 1 26 ALA HA 1 32 LEU HB3 5.000 . 5.000 2.541 2.128 2.840 . 0 0 "[ . 1 . 2]" 2
231 1 32 LEU H 1 32 LEU MD2 5.060 . 5.060 3.544 3.197 3.828 . 0 0 "[ . 1 . 2]" 2
232 1 44 VAL MG2 1 59 TYR QD 4.320 . 4.320 2.496 2.168 3.007 . 0 0 "[ . 1 . 2]" 2
233 1 31 GLU HG2 1 32 LEU MD2 5.160 . 5.160 3.541 2.162 4.635 . 0 0 "[ . 1 . 2]" 2
234 1 32 LEU HB2 1 33 PHE H 5.710 . 5.710 2.642 2.522 2.827 . 0 0 "[ . 1 . 2]" 2
235 1 26 ALA HA 1 32 LEU HB2 5.050 . 5.050 2.125 1.794 2.616 . 0 0 "[ . 1 . 2]" 2
236 1 86 LEU HG 1 88 TYR QE 5.680 . 5.680 4.279 4.102 4.817 . 0 0 "[ . 1 . 2]" 2
237 1 26 ALA HA 1 32 LEU HG 5.650 . 5.650 4.299 4.043 4.790 . 0 0 "[ . 1 . 2]" 2
238 1 31 GLU HG3 1 32 LEU HG 4.510 . 4.510 3.072 1.763 4.650 0.140 14 0 "[ . 1 . 2]" 2
239 1 33 PHE HA 1 36 TRP HD1 4.920 . 4.920 2.702 2.467 2.962 . 0 0 "[ . 1 . 2]" 2
240 1 33 PHE HA 1 49 PHE QE 5.130 . 5.130 5.037 4.615 5.186 0.056 7 0 "[ . 1 . 2]" 2
241 1 128 SER HB2 1 131 GLN HG2 4.950 . 4.950 4.642 3.697 5.051 0.101 19 0 "[ . 1 . 2]" 2
242 1 33 PHE HB2 1 34 GLU H 5.720 . 5.720 3.819 3.766 3.941 . 0 0 "[ . 1 . 2]" 2
243 1 33 PHE HB2 1 49 PHE QE . . 4.780 3.084 2.503 3.388 . 0 0 "[ . 1 . 2]" 2
244 1 74 TYR HA 1 85 TYR HB2 . . 5.290 2.745 2.220 3.136 . 0 0 "[ . 1 . 2]" 2
245 1 34 GLU HA 1 38 HIS HD2 5.670 . 5.670 4.452 3.810 5.119 . 0 0 "[ . 1 . 2]" 2
246 1 34 GLU HA 1 44 VAL MG2 4.670 . 4.670 3.365 2.890 3.945 . 0 0 "[ . 1 . 2]" 2
247 1 34 GLU HA 1 44 VAL MG1 . . 4.240 2.068 1.959 2.282 . 0 0 "[ . 1 . 2]" 2
248 1 34 GLU HB3 1 44 VAL MG2 4.680 . 4.680 3.427 2.898 4.124 . 0 0 "[ . 1 . 2]" 2
249 1 35 GLN HA 1 35 GLN HG2 4.510 . 4.510 2.464 2.408 2.538 . 0 0 "[ . 1 . 2]" 2
250 1 34 GLU HB2 1 44 VAL MG1 6.000 . 6.000 2.309 1.904 2.625 . 0 0 "[ . 1 . 2]" 2
251 1 34 GLU H 1 34 GLU HG3 5.290 . 5.290 2.561 1.938 3.147 . 0 0 "[ . 1 . 2]" 2
252 1 63 ALA MB 1 66 MET QB . . 4.150 3.080 1.943 4.222 0.072 2 0 "[ . 1 . 2]" 2
253 1 34 GLU HG3 1 35 GLN HG3 5.610 . 5.610 3.595 3.146 4.464 . 0 0 "[ . 1 . 2]" 2
254 1 35 GLN HG3 1 152 LEU MD1 6.020 . 6.020 3.732 3.541 3.989 . 0 0 "[ . 1 . 2]" 2
255 1 32 LEU MD2 1 35 GLN HG3 5.790 . 5.790 4.348 3.994 4.710 . 0 0 "[ . 1 . 2]" 2
256 1 35 GLN HG2 1 152 LEU MD2 5.530 . 5.530 4.978 4.607 5.410 . 0 0 "[ . 1 . 2]" 2
257 1 35 GLN HB2 1 36 TRP HB3 5.680 . 5.680 4.143 3.895 4.399 . 0 0 "[ . 1 . 2]" 2
258 1 36 TRP HB3 1 149 LEU HB3 6.300 . 6.300 4.719 4.353 5.139 . 0 0 "[ . 1 . 2]" 2
259 1 36 TRP HB3 1 152 LEU MD2 . . 5.790 2.334 2.063 2.809 . 0 0 "[ . 1 . 2]" 2
260 1 36 TRP HH2 1 37 PHE HA 4.840 . 4.840 4.963 4.893 5.045 0.205 13 0 "[ . 1 . 2]" 2
261 1 37 PHE HB3 1 44 VAL MG2 6.270 . 6.270 3.807 3.393 4.431 . 0 0 "[ . 1 . 2]" 2
262 1 37 PHE HB2 1 44 VAL MG2 5.900 . 5.900 5.327 4.952 5.882 . 0 0 "[ . 1 . 2]" 2
263 1 37 PHE HB2 1 44 VAL MG1 6.070 . 6.070 4.806 4.482 5.189 . 0 0 "[ . 1 . 2]" 2
264 1 38 HIS HA 1 39 PRO HD2 4.550 . 4.550 2.403 2.142 2.754 . 0 0 "[ . 1 . 2]" 2
265 1 38 HIS HA 1 61 ILE MD . . 4.340 2.633 2.221 2.952 . 0 0 "[ . 1 . 2]" 2
266 1 38 HIS HA 1 61 ILE MG . . 5.070 3.907 3.501 4.454 . 0 0 "[ . 1 . 2]" 2
267 1 38 HIS HB3 1 39 PRO HD2 6.130 . 6.130 3.655 3.396 3.823 . 0 0 "[ . 1 . 2]" 2
268 1 38 HIS HB3 1 44 VAL HB . . 4.860 2.706 2.187 3.381 . 0 0 "[ . 1 . 2]" 2
269 1 38 HIS HB3 1 42 ALA MB . . 5.420 5.216 4.433 5.516 0.096 14 0 "[ . 1 . 2]" 2
270 1 38 HIS HB3 1 61 ILE MD 6.050 . 6.050 3.699 3.213 4.150 . 0 0 "[ . 1 . 2]" 2
271 1 38 HIS HB3 1 44 VAL MG2 5.700 . 5.700 4.048 3.574 4.831 . 0 0 "[ . 1 . 2]" 2
272 1 38 HIS HB3 1 44 VAL MG1 . . 5.020 2.162 1.867 2.984 . 0 0 "[ . 1 . 2]" 2
273 1 148 GLN HB3 1 149 LEU H 5.830 . 5.830 3.854 3.650 4.025 . 0 0 "[ . 1 . 2]" 2
274 1 142 MET HA 1 142 MET HG3 . . 4.470 3.231 3.011 3.837 . 0 0 "[ . 1 . 2]" 2
275 1 39 PRO HB3 1 42 ALA MB 5.190 . 5.190 4.347 3.883 4.775 . 0 0 "[ . 1 . 2]" 2
276 1 39 PRO QG 1 42 ALA MB 4.680 . 4.680 1.739 1.548 2.145 . 0 0 "[ . 1 . 2]" 2
277 1 39 PRO QG 1 61 ILE MD . . 4.190 3.593 3.358 3.874 . 0 0 "[ . 1 . 2]" 2
278 1 39 PRO QG 1 61 ILE MG . . 3.640 2.406 2.194 2.785 . 0 0 "[ . 1 . 2]" 2
279 1 38 HIS HB2 1 39 PRO HD2 4.180 . 4.180 2.521 2.268 2.925 . 0 0 "[ . 1 . 2]" 2
280 1 39 PRO HD2 1 42 ALA MB . . 5.070 2.890 2.342 3.623 . 0 0 "[ . 1 . 2]" 2
281 1 39 PRO HD2 1 61 ILE MD . . 4.680 2.680 2.132 3.219 . 0 0 "[ . 1 . 2]" 2
282 1 39 PRO HD2 1 61 ILE MG . . 4.670 2.487 2.193 3.068 . 0 0 "[ . 1 . 2]" 2
283 1 76 GLN HB2 1 82 TYR QE 5.660 . 5.660 3.297 2.182 5.086 . 0 0 "[ . 1 . 2]" 2
284 1 133 ALA HA 1 136 MET HB2 5.250 . 5.250 3.031 2.711 4.875 . 0 0 "[ . 1 . 2]" 2
285 1 39 PRO HB2 1 42 ALA MB . . 5.280 3.476 2.851 4.156 . 0 0 "[ . 1 . 2]" 2
286 1 151 LYS HA 1 154 ASN HB2 . . 5.830 2.844 2.364 3.512 . 0 0 "[ . 1 . 2]" 2
287 1 43 SER HB3 1 44 VAL H 4.610 . 4.610 2.905 2.099 3.638 . 0 0 "[ . 1 . 2]" 2
288 1 44 VAL HA 1 61 ILE HA 4.810 . 4.810 2.466 2.245 2.611 . 0 0 "[ . 1 . 2]" 2
289 1 38 HIS HD2 1 44 VAL MG1 . . 4.170 2.972 2.534 3.266 . 0 0 "[ . 1 . 2]" 2
290 1 43 SER HA 1 44 VAL MG1 5.670 . 5.670 3.556 3.298 3.737 . 0 0 "[ . 1 . 2]" 2
291 1 34 GLU HG2 1 44 VAL MG1 5.580 . 5.580 4.549 3.961 4.936 . 0 0 "[ . 1 . 2]" 2
292 1 34 GLU HB3 1 44 VAL MG1 5.610 . 5.610 2.935 2.598 3.381 . 0 0 "[ . 1 . 2]" 2
293 1 37 PHE HB3 1 44 VAL MG1 5.840 . 5.840 3.382 2.936 3.792 . 0 0 "[ . 1 . 2]" 2
294 1 36 TRP HE3 1 145 THR MG 4.730 . 4.730 2.021 1.703 2.352 . 0 0 "[ . 1 . 2]" 2
295 1 36 TRP HZ3 1 145 THR MG 4.270 . 4.270 2.536 2.232 2.863 . 0 0 "[ . 1 . 2]" 2
296 1 45 THR MG 1 47 TYR QE . . 4.280 3.163 2.369 4.244 . 0 0 "[ . 1 . 2]" 2
297 1 45 THR MG 1 47 TYR QD . . 5.390 3.573 3.327 4.299 . 0 0 "[ . 1 . 2]" 2
298 1 45 THR MG 1 47 TYR HA 6.070 . 6.070 3.836 3.493 5.250 . 0 0 "[ . 1 . 2]" 2
299 1 46 VAL HA 1 59 TYR HA . . 5.100 2.208 1.838 2.497 . 0 0 "[ . 1 . 2]" 2
300 1 46 VAL MG1 1 49 PHE QE 4.480 . 4.480 3.760 3.478 4.381 . 0 0 "[ . 1 . 2]" 2
301 1 34 GLU HA 1 46 VAL MG2 4.810 . 4.810 3.439 3.181 3.860 . 0 0 "[ . 1 . 2]" 2
302 1 30 ARG HA 1 46 VAL MG1 5.510 . 5.510 3.826 3.199 4.429 . 0 0 "[ . 1 . 2]" 2
303 1 30 ARG HB2 1 46 VAL MG1 4.540 . 4.540 2.418 2.072 3.148 . 0 0 "[ . 1 . 2]" 2
304 1 73 GLU HB2 1 88 TYR QE 5.540 . 5.540 3.097 2.516 4.227 . 0 0 "[ . 1 . 2]" 2
305 1 138 VAL MG2 1 142 MET HG3 4.850 . 4.850 2.233 1.881 3.378 . 0 0 "[ . 1 . 2]" 2
306 1 47 TYR HB3 1 58 PHE QD . . 5.030 3.313 3.047 3.600 . 0 0 "[ . 1 . 2]" 2
307 1 47 TYR HB3 1 58 PHE HB3 6.260 . 6.260 4.553 3.618 5.168 . 0 0 "[ . 1 . 2]" 2
308 1 47 TYR HB3 1 48 ASP QB 5.540 . 5.540 4.027 3.624 4.740 . 0 0 "[ . 1 . 2]" 2
309 1 47 TYR HB2 1 58 PHE QD . . 5.310 2.330 1.858 2.814 . 0 0 "[ . 1 . 2]" 2
310 1 47 TYR HB2 1 48 ASP QB 6.130 . 6.130 3.664 3.260 4.008 . 0 0 "[ . 1 . 2]" 2
311 1 48 ASP QB 1 58 PHE QD . . 5.820 3.643 2.951 4.800 . 0 0 "[ . 1 . 2]" 2
312 1 48 ASP QB 1 58 PHE HB2 5.150 . 5.150 3.484 2.956 4.312 . 0 0 "[ . 1 . 2]" 2
313 1 48 ASP QB 1 57 ALA MB 6.200 . 6.200 4.951 4.238 5.671 . 0 0 "[ . 1 . 2]" 2
314 1 49 PHE HA 1 57 ALA HA 4.550 . 4.550 2.171 1.927 2.593 . 0 0 "[ . 1 . 2]" 2
315 1 49 PHE HA 1 57 ALA MB . . 4.460 2.314 2.028 2.715 . 0 0 "[ . 1 . 2]" 2
316 1 50 ASN HB3 1 56 SER H 4.980 . 4.980 2.126 1.633 2.500 . 0 0 "[ . 1 . 2]" 2
317 1 49 PHE QD 1 51 ALA MB 5.880 . 5.880 3.357 2.960 3.873 . 0 0 "[ . 1 . 2]" 2
318 1 51 ALA MB 1 74 TYR QD 4.920 . 4.920 3.124 2.798 3.452 . 0 0 "[ . 1 . 2]" 2
319 1 51 ALA MB 1 74 TYR QE 4.430 . 4.430 3.091 2.957 3.341 . 0 0 "[ . 1 . 2]" 2
320 1 50 ASN HA 1 51 ALA MB 5.210 . 5.210 4.097 3.907 4.197 . 0 0 "[ . 1 . 2]" 2
321 1 51 ALA MB 1 57 ALA MB 5.790 . 5.790 4.077 3.625 4.743 . 0 0 "[ . 1 . 2]" 2
322 1 51 ALA MB 1 77 VAL MG2 5.370 . 5.370 2.756 2.172 4.009 . 0 0 "[ . 1 . 2]" 2
323 1 51 ALA HA 1 74 TYR QD . . 5.240 3.011 2.170 3.357 . 0 0 "[ . 1 . 2]" 2
324 1 51 ALA HA 1 74 TYR QE . . 5.200 3.967 3.273 4.613 . 0 0 "[ . 1 . 2]" 2
325 1 51 ALA HA 1 52 THR MG 6.300 . 6.300 4.073 3.802 4.673 . 0 0 "[ . 1 . 2]" 2
326 1 51 ALA HA 1 77 VAL MG2 . . 5.920 3.376 2.824 4.439 . 0 0 "[ . 1 . 2]" 2
327 1 28 THR MG 1 51 ALA HA 6.300 . 6.300 4.432 4.184 4.692 . 0 0 "[ . 1 . 2]" 2
328 1 52 THR HB 1 77 VAL MG2 5.800 . 5.800 4.963 3.941 5.820 0.020 5 0 "[ . 1 . 2]" 2
329 1 53 LYS HA 1 76 GLN HA 5.970 . 5.970 2.546 2.016 3.278 . 0 0 "[ . 1 . 2]" 2
330 1 53 LYS HA 1 54 GLY HA3 6.060 . 6.060 4.491 4.427 4.627 . 0 0 "[ . 1 . 2]" 2
331 1 53 LYS HA 1 53 LYS QD 4.970 . 4.970 3.150 2.151 4.093 . 0 0 "[ . 1 . 2]" 2
332 1 53 LYS HA 1 77 VAL MG2 5.720 . 5.720 3.690 2.708 4.257 . 0 0 "[ . 1 . 2]" 2
333 1 58 PHE QE 1 90 ALA MB 4.780 . 4.780 2.662 2.223 3.761 . 0 0 "[ . 1 . 2]" 2
334 1 71 ILE MD 1 90 ALA MB 4.270 . 4.270 2.591 2.138 3.148 . 0 0 "[ . 1 . 2]" 2
335 1 53 LYS HB3 1 53 LYS QE 4.510 . 4.510 3.320 1.964 4.588 0.078 15 0 "[ . 1 . 2]" 2
336 1 93 LYS HB2 1 94 GLY HA3 5.110 . 5.110 4.943 4.381 5.204 0.094 18 0 "[ . 1 . 2]" 2
337 1 56 SER HA 1 74 TYR QD . . 4.760 2.678 1.908 3.817 . 0 0 "[ . 1 . 2]" 2
338 1 56 SER HA 1 73 GLU HA 4.730 . 4.730 2.215 1.771 2.739 . 0 0 "[ . 1 . 2]" 2
339 1 56 SER HA 1 73 GLU HB3 6.080 . 6.080 4.407 3.627 5.124 . 0 0 "[ . 1 . 2]" 2
340 1 56 SER QB 1 74 TYR QD 6.300 . 6.300 4.480 3.803 5.517 . 0 0 "[ . 1 . 2]" 2
341 1 56 SER QB 1 73 GLU HB3 5.530 . 5.530 4.097 3.230 5.488 . 0 0 "[ . 1 . 2]" 2
342 1 56 SER QB 1 57 ALA MB 6.290 . 6.290 4.542 4.341 4.891 . 0 0 "[ . 1 . 2]" 2
343 1 57 ALA MB 1 74 TYR QD 5.920 . 5.920 3.426 3.107 3.738 . 0 0 "[ . 1 . 2]" 2
344 1 57 ALA MB 1 74 TYR QE . . 4.190 1.890 1.727 2.152 . 0 0 "[ . 1 . 2]" 2
345 1 50 ASN HB2 1 57 ALA MB 5.600 . 5.600 5.458 5.068 5.639 0.039 20 0 "[ . 1 . 2]" 2
346 1 49 PHE HB3 1 57 ALA MB 5.830 . 5.830 4.298 4.145 4.492 . 0 0 "[ . 1 . 2]" 2
347 1 58 PHE HA 1 58 PHE QD . . 4.450 2.418 2.088 3.134 . 0 0 "[ . 1 . 2]" 2
348 1 58 PHE HA 1 71 ILE QG . . 5.950 2.432 1.907 3.326 . 0 0 "[ . 1 . 2]" 2
349 1 47 TYR QD 1 59 TYR HA . . 4.850 2.503 1.824 3.220 . 0 0 "[ . 1 . 2]" 2
350 1 46 VAL MG1 1 59 TYR HA 5.390 . 5.390 3.584 2.997 3.978 . 0 0 "[ . 1 . 2]" 2
351 1 60 ALA MB 1 68 SER H 6.030 . 6.030 3.998 3.453 4.603 . 0 0 "[ . 1 . 2]" 2
352 1 12 PHE QE 1 146 LEU MD2 4.180 . 4.180 4.408 4.270 4.503 0.323 18 0 "[ . 1 . 2]" 2
353 1 60 ALA MB 1 69 TYR QE 4.180 . 4.180 3.127 2.697 3.414 . 0 0 "[ . 1 . 2]" 2
354 1 47 TYR QE 1 60 ALA MB . . 4.010 1.888 1.778 2.023 . 0 0 "[ . 1 . 2]" 2
355 1 47 TYR QD 1 60 ALA MB . . 5.580 3.530 3.168 3.871 . 0 0 "[ . 1 . 2]" 2
356 1 60 ALA MB 1 62 GLN HA 5.440 . 5.440 4.549 4.220 4.716 . 0 0 "[ . 1 . 2]" 2
357 1 146 LEU HA 1 146 LEU MD2 3.950 . 3.950 2.033 1.977 2.131 . 0 0 "[ . 1 . 2]" 2
358 1 45 THR HB 1 60 ALA MB 4.260 . 4.260 3.161 2.606 4.415 0.155 20 0 "[ . 1 . 2]" 2
359 1 60 ALA MB 1 67 ILE MG 3.860 . 3.860 2.266 1.892 2.834 . 0 0 "[ . 1 . 2]" 2
360 1 146 LEU MD2 1 149 LEU MD2 3.990 . 3.990 2.097 1.862 2.440 . 0 0 "[ . 1 . 2]" 2
361 1 146 LEU MD2 1 149 LEU MD1 5.340 . 5.340 4.143 3.837 4.489 . 0 0 "[ . 1 . 2]" 2
362 1 47 TYR QD 1 60 ALA HA 5.800 . 5.800 5.351 5.157 5.556 . 0 0 "[ . 1 . 2]" 2
363 1 61 ILE HB 1 68 SER QB . . 4.690 2.949 2.144 4.033 . 0 0 "[ . 1 . 2]" 2
364 1 45 THR H 1 61 ILE MD 4.940 . 4.940 4.535 4.224 4.847 . 0 0 "[ . 1 . 2]" 2
365 1 59 TYR QD 1 61 ILE MD 4.030 . 4.030 3.238 2.954 3.680 . 0 0 "[ . 1 . 2]" 2
366 1 37 PHE QD 1 61 ILE MD 4.830 . 4.830 3.092 2.670 3.747 . 0 0 "[ . 1 . 2]" 2
367 1 44 VAL HA 1 61 ILE MD 4.830 . 4.830 3.266 2.809 3.531 . 0 0 "[ . 1 . 2]" 2
368 1 61 ILE HA 1 61 ILE MD 4.410 . 4.410 2.112 2.069 2.148 . 0 0 "[ . 1 . 2]" 2
369 1 38 HIS HB2 1 61 ILE MD 4.630 . 4.630 3.832 3.350 4.563 . 0 0 "[ . 1 . 2]" 2
370 1 44 VAL HB 1 61 ILE MD 4.460 . 4.460 2.306 2.078 2.891 . 0 0 "[ . 1 . 2]" 2
371 1 44 VAL MG2 1 61 ILE MD 3.320 . 3.320 2.286 2.075 2.569 . 0 0 "[ . 1 . 2]" 2
372 1 44 VAL HA 1 61 ILE MG 5.690 . 5.690 4.175 3.944 4.372 . 0 0 "[ . 1 . 2]" 2
373 1 61 ILE MG 1 68 SER QB 5.580 . 5.580 3.995 3.362 4.808 . 0 0 "[ . 1 . 2]" 2
374 1 39 PRO HD3 1 61 ILE MG 4.360 . 4.360 2.926 2.569 3.340 . 0 0 "[ . 1 . 2]" 2
375 1 61 ILE MG 1 66 MET QG 5.190 . 5.190 4.877 3.939 5.280 0.090 5 0 "[ . 1 . 2]" 2
376 1 42 ALA MB 1 61 ILE MG 3.840 . 3.840 2.576 2.092 3.163 . 0 0 "[ . 1 . 2]" 2
377 1 59 TYR QE 1 61 ILE HG13 4.890 . 4.890 4.677 4.309 4.939 0.049 10 0 "[ . 1 . 2]" 2
378 1 44 VAL HA 1 61 ILE HG13 6.080 . 6.080 5.993 5.663 6.137 0.057 9 0 "[ . 1 . 2]" 2
379 1 60 ALA HA 1 61 ILE HG13 6.300 . 6.300 5.560 5.455 5.648 . 0 0 "[ . 1 . 2]" 2
380 1 39 PRO HB3 1 61 ILE HG13 6.120 . 6.120 5.930 5.123 6.207 0.087 14 0 "[ . 1 . 2]" 2
381 1 45 THR H 1 61 ILE HG12 6.270 . 6.270 6.061 5.781 6.302 0.032 19 0 "[ . 1 . 2]" 2
382 1 61 ILE H 1 61 ILE HG12 5.720 . 5.720 2.353 2.286 2.530 . 0 0 "[ . 1 . 2]" 2
383 1 59 TYR QD 1 61 ILE HG12 4.760 . 4.760 3.689 3.467 3.901 . 0 0 "[ . 1 . 2]" 2
384 1 44 VAL HA 1 61 ILE HG12 6.260 . 6.260 5.174 4.685 5.437 . 0 0 "[ . 1 . 2]" 2
385 1 61 ILE HG12 1 69 TYR HA 5.260 . 5.260 5.122 4.643 5.383 0.123 9 0 "[ . 1 . 2]" 2
386 1 43 SER H 1 62 GLN HB2 5.920 . 5.920 4.202 2.851 5.212 . 0 0 "[ . 1 . 2]" 2
387 1 24 PHE QD 1 83 ILE HG12 5.430 . 5.430 3.149 2.659 3.494 . 0 0 "[ . 1 . 2]" 2
388 1 62 GLN HG2 1 67 ILE HA 6.230 . 6.230 4.967 3.848 6.236 0.006 5 0 "[ . 1 . 2]" 2
389 1 61 ILE HA 1 62 GLN HG2 6.300 . 6.300 5.355 3.693 6.327 0.027 18 0 "[ . 1 . 2]" 2
390 1 62 GLN HG2 1 67 ILE QG 5.940 . 5.940 3.406 2.099 5.139 . 0 0 "[ . 1 . 2]" 2
391 1 60 ALA MB 1 62 GLN HG2 6.010 . 6.010 4.411 3.243 5.145 . 0 0 "[ . 1 . 2]" 2
392 1 62 GLN HG2 1 67 ILE MD . . 5.100 3.527 2.260 5.138 0.038 4 0 "[ . 1 . 2]" 2
393 1 62 GLN HG2 1 67 ILE MG 5.000 . 5.000 3.414 2.416 4.278 . 0 0 "[ . 1 . 2]" 2
394 1 62 GLN HB3 1 67 ILE MG 5.800 . 5.800 4.718 3.962 5.320 . 0 0 "[ . 1 . 2]" 2
395 1 62 GLN HG3 1 63 ALA H 5.840 . 5.840 5.620 5.390 5.941 0.101 7 0 "[ . 1 . 2]" 2
396 1 43 SER H 1 62 GLN HG3 5.910 . 5.910 5.623 5.000 5.980 0.070 14 0 "[ . 1 . 2]" 2
397 1 117 THR HA 1 118 VAL HB 4.710 . 4.710 4.594 4.392 4.815 0.105 18 0 "[ . 1 . 2]" 2
398 1 62 GLN HA 1 62 GLN HG3 4.500 . 4.500 3.771 3.656 3.930 . 0 0 "[ . 1 . 2]" 2
399 1 100 MET HB2 1 101 PRO HD2 . . 3.900 2.940 2.345 4.100 0.200 14 0 "[ . 1 . 2]" 2
400 1 62 GLN HG3 1 67 ILE QG 5.620 . 5.620 4.491 3.722 5.430 . 0 0 "[ . 1 . 2]" 2
401 1 62 GLN HG3 1 67 ILE MD 5.630 . 5.630 4.196 3.442 4.883 . 0 0 "[ . 1 . 2]" 2
402 1 42 ALA HA 1 63 ALA MB 4.680 . 4.680 4.102 3.550 4.717 0.037 3 0 "[ . 1 . 2]" 2
403 1 63 ALA MB 1 64 PRO HA 5.940 . 5.940 4.625 4.544 4.692 . 0 0 "[ . 1 . 2]" 2
404 1 63 ALA MB 1 64 PRO HD2 4.010 . 4.010 2.211 1.977 2.543 . 0 0 "[ . 1 . 2]" 2
405 1 63 ALA MB 1 64 PRO HD3 3.830 . 3.830 3.319 2.910 3.589 . 0 0 "[ . 1 . 2]" 2
406 1 63 ALA MB 1 66 MET QG . . 4.380 2.944 1.956 4.159 . 0 0 "[ . 1 . 2]" 2
407 1 39 PRO QG 1 63 ALA MB 5.500 . 5.500 4.091 3.534 4.753 . 0 0 "[ . 1 . 2]" 2
408 1 42 ALA MB 1 63 ALA MB 3.860 . 3.860 2.496 2.058 3.068 . 0 0 "[ . 1 . 2]" 2
409 1 61 ILE MG 1 63 ALA MB 4.620 . 4.620 2.778 2.343 3.081 . 0 0 "[ . 1 . 2]" 2
410 1 24 PHE QD 1 80 PRO QG 5.290 . 5.290 4.101 2.456 5.154 . 0 0 "[ . 1 . 2]" 2
411 1 42 ALA MB 1 64 PRO HG3 5.210 . 5.210 4.846 4.279 5.235 0.025 10 0 "[ . 1 . 2]" 2
412 1 100 MET HA 1 101 PRO HD3 . . 3.860 2.094 1.880 2.436 . 0 0 "[ . 1 . 2]" 2
413 1 63 ALA HA 1 64 PRO HD2 4.800 . 4.800 2.636 2.341 3.040 . 0 0 "[ . 1 . 2]" 2
414 1 100 MET HG3 1 101 PRO HD3 5.040 . 5.040 5.034 4.799 5.171 0.131 12 0 "[ . 1 . 2]" 2
415 1 100 MET ME 1 125 PRO HD2 5.250 . 5.250 5.033 4.184 5.348 0.098 8 0 "[ . 1 . 2]" 2
416 1 125 PRO HD2 1 130 ALA MB 4.580 . 4.580 4.879 4.776 5.009 0.429 13 0 "[ . 1 . 2]" 2
417 1 100 MET H 1 100 MET HG3 5.210 . 5.210 3.231 2.576 4.125 . 0 0 "[ . 1 . 2]" 2
418 1 100 MET HA 1 101 PRO HD2 3.990 . 3.990 2.772 2.495 3.120 . 0 0 "[ . 1 . 2]" 2
419 1 63 ALA HA 1 64 PRO HD3 5.080 . 5.080 2.459 2.032 2.782 . 0 0 "[ . 1 . 2]" 2
420 1 100 MET HG3 1 101 PRO HD2 5.100 . 5.100 4.504 4.105 5.188 0.088 17 0 "[ . 1 . 2]" 2
421 1 154 ASN HA 1 155 GLN HG2 6.120 . 6.120 5.385 3.864 6.219 0.099 20 0 "[ . 1 . 2]" 2
422 1 129 ALA HA 1 132 GLN HG2 4.610 . 4.610 4.398 2.663 4.763 0.153 7 0 "[ . 1 . 2]" 2
423 1 152 LEU HG 1 155 GLN HG2 5.930 . 5.930 5.588 4.936 5.976 0.046 11 0 "[ . 1 . 2]" 2
424 1 155 GLN H 1 155 GLN HG3 5.600 . 5.600 3.471 2.904 4.604 . 0 0 "[ . 1 . 2]" 2
425 1 36 TRP HA 1 148 GLN HG3 5.700 . 5.700 4.193 3.688 4.733 . 0 0 "[ . 1 . 2]" 2
426 1 66 MET QG 1 67 ILE HA 5.740 . 5.740 3.815 3.454 5.066 . 0 0 "[ . 1 . 2]" 2
427 1 66 MET QG 1 68 SER QB 5.380 . 5.380 3.869 2.711 5.219 . 0 0 "[ . 1 . 2]" 2
428 1 66 MET H 1 66 MET ME 6.240 . 6.240 4.728 4.174 6.042 . 0 0 "[ . 1 . 2]" 2
429 1 66 MET HA 1 66 MET ME . . 5.290 4.544 4.200 5.458 0.168 15 0 "[ . 1 . 2]" 2
430 1 66 MET ME 1 68 SER QB 5.050 . 5.050 2.898 1.812 4.594 . 0 0 "[ . 1 . 2]" 2
431 1 63 ALA MB 1 66 MET ME 4.300 . 4.300 3.284 2.341 4.419 0.119 6 0 "[ . 1 . 2]" 2
432 1 61 ILE MG 1 66 MET ME 4.690 . 4.690 4.127 2.911 4.861 0.171 3 0 "[ . 1 . 2]" 2
433 1 67 ILE HB 1 68 SER H 5.620 . 5.620 4.381 4.174 4.454 . 0 0 "[ . 1 . 2]" 2
434 1 62 GLN HA 1 67 ILE HB 5.310 . 5.310 4.896 4.524 5.161 . 0 0 "[ . 1 . 2]" 2
435 1 62 GLN HA 1 67 ILE HA 5.000 . 5.000 2.904 2.561 3.404 . 0 0 "[ . 1 . 2]" 2
436 1 67 ILE MD 1 68 SER H 5.470 . 5.470 5.423 5.286 5.509 0.039 13 0 "[ . 1 . 2]" 2
437 1 67 ILE MD 1 69 TYR QE . . 4.980 4.559 3.765 4.941 . 0 0 "[ . 1 . 2]" 2
438 1 62 GLN HA 1 67 ILE MD 4.850 . 4.850 3.769 3.320 4.283 . 0 0 "[ . 1 . 2]" 2
439 1 67 ILE MG 1 69 TYR H 6.170 . 6.170 4.726 4.103 5.252 . 0 0 "[ . 1 . 2]" 2
440 1 61 ILE H 1 67 ILE MG 5.260 . 5.260 4.133 3.692 4.519 . 0 0 "[ . 1 . 2]" 2
441 1 67 ILE MG 1 69 TYR QD . . 5.540 3.753 3.544 3.994 . 0 0 "[ . 1 . 2]" 2
442 1 67 ILE MG 1 69 TYR QE . . 4.410 2.998 2.727 3.358 . 0 0 "[ . 1 . 2]" 2
443 1 60 ALA HA 1 67 ILE MG 6.090 . 6.090 4.229 3.775 4.821 . 0 0 "[ . 1 . 2]" 2
444 1 62 GLN HA 1 67 ILE MG 4.470 . 4.470 2.788 2.136 3.148 . 0 0 "[ . 1 . 2]" 2
445 1 67 ILE MG 1 68 SER QB 6.170 . 6.170 4.697 4.414 4.939 . 0 0 "[ . 1 . 2]" 2
446 1 61 ILE HB 1 67 ILE MG 5.380 . 5.380 4.977 4.509 5.452 0.072 10 0 "[ . 1 . 2]" 2
447 1 105 ILE HA 1 122 SER HA 5.070 . 5.070 2.310 2.060 2.687 . 0 0 "[ . 1 . 2]" 2
448 1 60 ALA MB 1 69 TYR HA 5.550 . 5.550 2.677 2.306 3.172 . 0 0 "[ . 1 . 2]" 2
449 1 105 ILE MD 1 122 SER HA . . 4.900 3.330 2.340 4.034 . 0 0 "[ . 1 . 2]" 2
450 1 71 ILE HB 1 88 TYR HB2 . . 5.250 2.745 1.767 3.265 . 0 0 "[ . 1 . 2]" 2
451 1 69 TYR HB2 1 90 ALA HA 6.300 . 6.300 4.764 4.292 5.264 . 0 0 "[ . 1 . 2]" 2
452 1 69 TYR HB2 1 90 ALA MB 5.300 . 5.300 2.386 1.772 2.733 . 0 0 "[ . 1 . 2]" 2
453 1 59 TYR QD 1 70 THR HB 5.090 . 5.090 3.565 3.040 3.775 . 0 0 "[ . 1 . 2]" 2
454 1 69 TYR HA 1 70 THR HB 6.070 . 6.070 4.593 4.424 4.693 . 0 0 "[ . 1 . 2]" 2
455 1 70 THR MG 1 72 ALA H 5.600 . 5.600 4.064 3.653 4.840 . 0 0 "[ . 1 . 2]" 2
456 1 59 TYR QE 1 70 THR MG 4.860 . 4.860 3.077 2.663 3.281 . 0 0 "[ . 1 . 2]" 2
457 1 70 THR MG 1 87 ASP HA . . 4.960 3.754 3.353 3.995 . 0 0 "[ . 1 . 2]" 2
458 1 70 THR MG 1 71 ILE HA 4.630 . 4.630 3.768 3.580 3.993 . 0 0 "[ . 1 . 2]" 2
459 1 71 ILE HB 1 72 ALA H 6.110 . 6.110 4.269 4.064 4.411 . 0 0 "[ . 1 . 2]" 2
460 1 71 ILE HB 1 88 TYR QD 5.880 . 5.880 4.437 3.095 4.907 . 0 0 "[ . 1 . 2]" 2
461 1 71 ILE HB 1 88 TYR HB3 . . 5.420 3.805 2.878 4.342 . 0 0 "[ . 1 . 2]" 2
462 1 71 ILE HB 1 71 ILE MD . . 3.720 2.483 2.431 2.538 . 0 0 "[ . 1 . 2]" 2
463 1 70 THR H 1 71 ILE MD 5.420 . 5.420 5.496 5.433 5.595 0.175 15 0 "[ . 1 . 2]" 2
464 1 58 PHE QD 1 71 ILE MD 5.310 . 5.310 2.973 2.414 3.826 . 0 0 "[ . 1 . 2]" 2
465 1 24 PHE QD 1 83 ILE MD 4.590 . 4.590 1.991 1.842 2.608 . 0 0 "[ . 1 . 2]" 2
466 1 71 ILE MD 1 95 GLU HA 5.220 . 5.220 2.883 2.158 4.082 . 0 0 "[ . 1 . 2]" 2
467 1 71 ILE MD 1 96 LYS HA 4.820 . 4.820 3.486 2.638 4.498 . 0 0 "[ . 1 . 2]" 2
468 1 58 PHE HB2 1 71 ILE MD 5.550 . 5.550 3.371 2.665 4.838 . 0 0 "[ . 1 . 2]" 2
469 1 71 ILE MD 1 94 GLY HA2 5.210 . 5.210 3.540 2.216 4.484 . 0 0 "[ . 1 . 2]" 2
470 1 71 ILE MD 1 94 GLY HA3 5.150 . 5.150 4.276 2.747 5.196 0.046 5 0 "[ . 1 . 2]" 2
471 1 83 ILE MD 1 83 ILE MG . . 3.780 3.186 2.059 3.255 . 0 0 "[ . 1 . 2]" 2
472 1 71 ILE MG 1 72 ALA HA 5.690 . 5.690 3.821 3.352 4.250 . 0 0 "[ . 1 . 2]" 2
473 1 58 PHE HB3 1 71 ILE MG 5.410 . 5.410 4.627 4.210 5.097 . 0 0 "[ . 1 . 2]" 2
474 1 71 ILE QG 1 72 ALA H 6.300 . 6.300 4.340 4.058 4.628 . 0 0 "[ . 1 . 2]" 2
475 1 58 PHE QD 1 71 ILE QG . . 5.160 2.006 1.729 2.637 . 0 0 "[ . 1 . 2]" 2
476 1 58 PHE HB2 1 71 ILE QG 5.800 . 5.800 2.823 2.345 4.286 . 0 0 "[ . 1 . 2]" 2
477 1 103 MET HG2 1 105 ILE HG12 5.700 . 5.700 5.252 4.190 5.707 0.007 15 0 "[ . 1 . 2]" 2
478 1 72 ALA MB 1 74 TYR HA 5.450 . 5.450 4.836 4.649 5.123 . 0 0 "[ . 1 . 2]" 2
479 1 72 ALA HA 1 88 TYR QD 5.610 . 5.610 4.090 3.621 4.475 . 0 0 "[ . 1 . 2]" 2
480 1 72 ALA HA 1 87 ASP HA . . 4.640 2.515 2.046 2.933 . 0 0 "[ . 1 . 2]" 2
481 1 73 GLU HB2 1 86 LEU HG 5.600 . 5.600 3.813 3.399 4.335 . 0 0 "[ . 1 . 2]" 2
482 1 74 TYR HB2 1 77 VAL MG2 . . 5.570 3.472 3.115 3.817 . 0 0 "[ . 1 . 2]" 2
483 1 54 GLY HA2 1 75 LEU HA 5.160 . 5.160 3.296 2.272 4.035 . 0 0 "[ . 1 . 2]" 2
484 1 149 LEU MD1 1 152 LEU HB2 5.940 . 5.940 3.952 3.595 4.180 . 0 0 "[ . 1 . 2]" 2
485 1 75 LEU HB2 1 76 GLN HB2 5.630 . 5.630 5.355 3.935 5.729 0.099 18 0 "[ . 1 . 2]" 2
486 1 17 SER HA 1 115 LYS QD 5.380 . 5.380 3.820 2.111 4.886 . 0 0 "[ . 1 . 2]" 2
487 1 76 GLN HB3 1 82 TYR QE . . 4.360 2.912 1.936 3.999 . 0 0 "[ . 1 . 2]" 2
488 1 136 MET HB2 1 136 MET ME 3.500 . 3.500 2.414 2.017 3.482 . 0 0 "[ . 1 . 2]" 2
489 1 53 LYS QD 1 76 GLN HB2 6.290 . 6.290 4.771 3.093 6.289 . 0 0 "[ . 1 . 2]" 2
490 1 53 LYS QD 1 76 GLN HG3 5.240 . 5.240 4.176 2.000 5.409 0.169 19 0 "[ . 1 . 2]" 2
491 1 83 ILE MG 1 84 GLU QB 6.050 . 6.050 4.239 4.155 4.360 . 0 0 "[ . 1 . 2]" 2
492 1 77 VAL MG1 1 84 GLU QB 5.990 . 5.990 5.730 5.399 6.036 0.046 10 0 "[ . 1 . 2]" 2
493 1 74 TYR QD 1 77 VAL MG2 . . 4.560 2.530 1.788 3.928 . 0 0 "[ . 1 . 2]" 2
494 1 74 TYR QE 1 77 VAL MG2 . . 5.540 4.063 3.584 5.374 . 0 0 "[ . 1 . 2]" 2
495 1 74 TYR HA 1 77 VAL MG2 5.920 . 5.920 3.870 3.488 4.540 . 0 0 "[ . 1 . 2]" 2
496 1 74 TYR HB3 1 77 VAL MG2 4.790 . 4.790 2.231 1.966 2.788 . 0 0 "[ . 1 . 2]" 2
497 1 28 THR HA 1 77 VAL MG1 5.740 . 5.740 4.626 3.750 5.758 0.018 14 0 "[ . 1 . 2]" 2
498 1 4 GLU HB3 1 13 THR MG 6.300 . 6.300 5.775 4.624 6.370 0.070 16 0 "[ . 1 . 2]" 2
499 1 133 ALA MB 1 138 VAL MG2 3.910 . 3.910 2.728 2.401 3.511 . 0 0 "[ . 1 . 2]" 2
500 1 52 THR HA 1 77 VAL HB 4.860 . 4.860 2.510 1.990 3.706 . 0 0 "[ . 1 . 2]" 2
501 1 78 ASP HA 1 79 ALA MB 4.920 . 4.920 4.058 3.757 4.203 . 0 0 "[ . 1 . 2]" 2
502 1 77 VAL H 1 78 ASP HB3 6.000 . 6.000 5.617 5.038 6.094 0.094 5 0 "[ . 1 . 2]" 2
503 1 78 ASP HB3 1 82 TYR QD . . 5.180 2.799 1.936 3.996 . 0 0 "[ . 1 . 2]" 2
504 1 78 ASP HB3 1 82 TYR HB2 . . 4.880 4.302 3.397 4.964 0.084 16 0 "[ . 1 . 2]" 2
505 1 79 ALA MB 1 81 TYR QE . . 4.440 3.110 1.888 3.763 . 0 0 "[ . 1 . 2]" 2
506 1 78 ASP HB2 1 79 ALA MB 5.590 . 5.590 5.028 4.259 5.237 . 0 0 "[ . 1 . 2]" 2
507 1 79 ALA HA 1 80 PRO HB3 6.200 . 6.200 5.542 5.049 5.931 . 0 0 "[ . 1 . 2]" 2
508 1 80 PRO HB2 1 81 TYR QD 6.230 . 6.230 4.299 3.590 5.095 . 0 0 "[ . 1 . 2]" 2
509 1 80 PRO HB2 1 81 TYR HA 5.220 . 5.220 4.430 4.120 4.775 . 0 0 "[ . 1 . 2]" 2
510 1 20 ILE QG 1 80 PRO HB2 3.750 . 3.750 2.549 1.643 3.797 0.047 13 0 "[ . 1 . 2]" 2
511 1 100 MET H 1 101 PRO HD3 5.220 . 5.220 4.785 4.620 5.007 . 0 0 "[ . 1 . 2]" 2
512 1 24 PHE QD 1 80 PRO HD3 5.520 . 5.520 4.846 3.261 5.475 . 0 0 "[ . 1 . 2]" 2
513 1 79 ALA HA 1 80 PRO HD3 5.580 . 5.580 2.496 2.055 2.962 . 0 0 "[ . 1 . 2]" 2
514 1 28 THR MG 1 29 LYS QE 5.610 . 5.610 3.923 2.559 5.282 . 0 0 "[ . 1 . 2]" 2
515 1 82 TYR HA 1 109 PHE QD 6.260 . 6.260 4.643 3.621 6.541 0.281 5 0 "[ . 1 . 2]" 2
516 1 82 TYR HA 1 108 ASN HA . . 5.250 2.941 2.645 3.273 . 0 0 "[ . 1 . 2]" 2
517 1 78 ASP HB3 1 82 TYR HB3 5.050 . 5.050 2.799 1.810 3.553 . 0 0 "[ . 1 . 2]" 2
518 1 83 ILE MG 1 85 TYR QE 5.010 . 5.010 3.213 2.609 3.560 . 0 0 "[ . 1 . 2]" 2
519 1 83 ILE MG 1 85 TYR QD 3.790 . 3.790 2.251 2.062 2.467 . 0 0 "[ . 1 . 2]" 2
520 1 74 TYR QE 1 83 ILE MG 4.270 . 4.270 3.040 2.565 4.310 0.040 14 0 "[ . 1 . 2]" 2
521 1 83 ILE MG 1 85 TYR HB2 5.690 . 5.690 4.968 4.757 5.312 . 0 0 "[ . 1 . 2]" 2
522 1 77 VAL MG2 1 83 ILE MG 4.110 . 4.110 2.413 1.886 3.428 . 0 0 "[ . 1 . 2]" 2
523 1 24 PHE QD 1 83 ILE HG13 . . 4.350 2.869 2.322 3.347 . 0 0 "[ . 1 . 2]" 2
524 1 75 LEU HB3 1 84 GLU QG 5.160 . 5.160 2.547 1.859 5.207 0.047 15 0 "[ . 1 . 2]" 2
525 1 93 LYS HB3 1 95 GLU HG2 5.290 . 5.290 4.212 2.622 5.554 0.264 8 0 "[ . 1 . 2]" 2
526 1 85 TYR HA 1 86 LEU H 4.800 . 4.800 2.356 2.202 2.476 . 0 0 "[ . 1 . 2]" 2
527 1 74 TYR QD 1 85 TYR HA 5.640 . 5.640 4.436 4.092 4.769 . 0 0 "[ . 1 . 2]" 2
528 1 74 TYR HA 1 85 TYR HA 5.200 . 5.200 2.327 1.992 2.648 . 0 0 "[ . 1 . 2]" 2
529 1 85 TYR HA 1 86 LEU HB2 5.220 . 5.220 4.588 4.481 4.734 . 0 0 "[ . 1 . 2]" 2
530 1 74 TYR QD 1 85 TYR HB3 5.050 . 5.050 2.640 1.933 3.091 . 0 0 "[ . 1 . 2]" 2
531 1 74 TYR HA 1 85 TYR HB3 . . 5.540 2.325 2.120 2.605 . 0 0 "[ . 1 . 2]" 2
532 1 86 LEU H 1 86 LEU MD1 5.640 . 5.640 3.828 3.533 4.065 . 0 0 "[ . 1 . 2]" 2
533 1 86 LEU MD1 1 88 TYR QE 4.560 . 4.560 2.385 1.849 3.061 . 0 0 "[ . 1 . 2]" 2
534 1 14 ARG HB3 1 146 LEU MD1 4.320 . 4.320 2.569 2.236 3.299 . 0 0 "[ . 1 . 2]" 2
535 1 86 LEU HB3 1 88 TYR QE 5.430 . 5.430 2.417 1.807 2.993 . 0 0 "[ . 1 . 2]" 2
536 1 86 LEU MD2 1 104 HIS HD2 . . 3.980 2.194 1.999 2.799 . 0 0 "[ . 1 . 2]" 2
537 1 86 LEU HA 1 86 LEU MD2 4.050 . 4.050 2.218 2.121 2.328 . 0 0 "[ . 1 . 2]" 2
538 1 86 LEU MD2 1 104 HIS HA 4.130 . 4.130 2.240 1.991 2.547 . 0 0 "[ . 1 . 2]" 2
539 1 86 LEU MD2 1 102 GLY HA3 4.490 . 4.490 3.214 2.115 4.445 . 0 0 "[ . 1 . 2]" 2
540 1 86 LEU MD2 1 104 HIS QB 4.210 . 4.210 2.577 2.098 3.508 . 0 0 "[ . 1 . 2]" 2
541 1 29 LYS QB 1 32 LEU HG . . 4.170 3.127 2.449 3.786 . 0 0 "[ . 1 . 2]" 2
542 1 87 ASP HB3 1 88 TYR H 5.800 . 5.800 4.395 4.339 4.468 . 0 0 "[ . 1 . 2]" 2
543 1 85 TYR QE 1 87 ASP HB3 . . 4.980 4.383 3.703 4.860 . 0 0 "[ . 1 . 2]" 2
544 1 86 LEU HA 1 87 ASP HB3 6.010 . 6.010 4.781 4.624 4.883 . 0 0 "[ . 1 . 2]" 2
545 1 70 THR MG 1 87 ASP HB3 5.370 . 5.370 4.607 4.370 5.147 . 0 0 "[ . 1 . 2]" 2
546 1 87 ASP HB3 1 105 ILE MD . . 4.260 3.259 2.798 3.530 . 0 0 "[ . 1 . 2]" 2
547 1 85 TYR QE 1 87 ASP HB2 5.870 . 5.870 2.686 2.030 3.158 . 0 0 "[ . 1 . 2]" 2
548 1 86 LEU HA 1 87 ASP HB2 6.240 . 6.240 4.508 4.359 4.636 . 0 0 "[ . 1 . 2]" 2
549 1 87 ASP HB2 1 103 MET HB2 4.810 . 4.810 4.931 4.869 5.038 0.228 15 0 "[ . 1 . 2]" 2
550 1 87 ASP HB2 1 105 ILE HG12 5.100 . 5.100 4.705 3.694 5.154 0.054 13 0 "[ . 1 . 2]" 2
551 1 87 ASP HB2 1 105 ILE MD . . 4.820 2.728 2.370 3.383 . 0 0 "[ . 1 . 2]" 2
552 1 88 TYR HB3 1 96 LYS HG3 5.880 . 5.880 4.654 3.704 5.689 . 0 0 "[ . 1 . 2]" 2
553 1 89 PHE HB3 1 97 ASP HB3 5.430 . 5.430 3.206 2.383 4.626 . 0 0 "[ . 1 . 2]" 2
554 1 89 PHE HB3 1 100 MET HB3 5.910 . 5.910 4.813 3.477 5.500 . 0 0 "[ . 1 . 2]" 2
555 1 89 PHE HB2 1 97 ASP HB2 5.070 . 5.070 4.852 3.581 5.271 0.201 15 0 "[ . 1 . 2]" 2
556 1 89 PHE HB2 1 100 MET HB3 6.010 . 6.010 5.076 3.168 6.090 0.080 18 0 "[ . 1 . 2]" 2
557 1 70 THR H 1 90 ALA MB 4.830 . 4.830 3.194 2.921 4.156 . 0 0 "[ . 1 . 2]" 2
558 1 58 PHE QD 1 90 ALA MB 5.750 . 5.750 3.388 2.885 5.007 . 0 0 "[ . 1 . 2]" 2
559 1 90 ALA MB 1 95 GLU H 5.640 . 5.640 3.942 2.725 4.950 . 0 0 "[ . 1 . 2]" 2
560 1 69 TYR HA 1 90 ALA MB 5.710 . 5.710 3.834 3.713 4.107 . 0 0 "[ . 1 . 2]" 2
561 1 42 ALA MB 1 63 ALA HA 4.620 . 4.620 2.349 2.103 2.639 . 0 0 "[ . 1 . 2]" 2
562 1 69 TYR HB3 1 90 ALA MB 4.610 . 4.610 2.383 2.103 2.691 . 0 0 "[ . 1 . 2]" 2
563 1 91 THR H 1 91 THR MG 4.270 . 4.270 1.969 1.761 2.281 . 0 0 "[ . 1 . 2]" 2
564 1 91 THR MG 1 96 LYS HA 4.190 . 4.190 3.777 2.992 4.206 0.016 19 0 "[ . 1 . 2]" 2
565 1 91 THR MG 1 96 LYS HD2 4.240 . 4.240 4.178 3.638 4.480 0.240 8 0 "[ . 1 . 2]" 2
566 1 71 ILE MD 1 91 THR MG 4.710 . 4.710 4.781 4.446 4.996 0.286 15 0 "[ . 1 . 2]" 2
567 1 69 TYR QD 1 92 SER HA 5.320 . 5.320 3.269 2.656 4.205 . 0 0 "[ . 1 . 2]" 2
568 1 69 TYR QE 1 92 SER HA 4.880 . 4.880 3.661 2.873 4.486 . 0 0 "[ . 1 . 2]" 2
569 1 69 TYR QD 1 92 SER HB3 6.300 . 6.300 4.584 3.509 5.474 . 0 0 "[ . 1 . 2]" 2
570 1 69 TYR QE 1 92 SER HB3 . . 5.390 4.302 3.033 5.471 0.081 14 0 "[ . 1 . 2]" 2
571 1 69 TYR QE 1 92 SER HB2 . . 5.640 4.269 2.966 5.070 . 0 0 "[ . 1 . 2]" 2
572 1 93 LYS H 1 93 LYS HG2 5.240 . 5.240 2.900 2.111 3.694 . 0 0 "[ . 1 . 2]" 2
573 1 93 LYS H 1 93 LYS HG3 5.420 . 5.420 2.888 2.034 3.772 . 0 0 "[ . 1 . 2]" 2
574 1 58 PHE QE 1 94 GLY HA3 . . 6.100 4.107 2.970 5.454 . 0 0 "[ . 1 . 2]" 2
575 1 91 THR MG 1 94 GLY HA3 6.130 . 6.130 5.213 4.233 6.222 0.092 9 0 "[ . 1 . 2]" 2
576 1 58 PHE QE 1 94 GLY HA2 5.920 . 5.920 3.111 2.259 4.272 . 0 0 "[ . 1 . 2]" 2
577 1 94 GLY HA2 1 95 GLU HG2 6.300 . 6.300 5.513 5.118 6.101 . 0 0 "[ . 1 . 2]" 2
578 1 95 GLU HA 1 96 LYS QB 5.530 . 5.530 4.390 4.204 4.823 . 0 0 "[ . 1 . 2]" 2
579 1 90 ALA MB 1 95 GLU HA 5.810 . 5.810 4.612 3.803 5.613 . 0 0 "[ . 1 . 2]" 2
580 1 30 ARG HB2 1 31 GLU H 5.810 . 5.810 3.997 3.662 4.237 . 0 0 "[ . 1 . 2]" 2
581 1 95 GLU HB2 1 96 LYS HE3 4.920 . 4.920 3.712 2.491 4.810 . 0 0 "[ . 1 . 2]" 2
582 1 91 THR MG 1 95 GLU HB2 5.500 . 5.500 3.516 2.346 4.731 . 0 0 "[ . 1 . 2]" 2
583 1 95 GLU HG3 1 96 LYS H 6.080 . 6.080 3.849 2.938 4.815 . 0 0 "[ . 1 . 2]" 2
584 1 95 GLU H 1 95 GLU HG3 5.050 . 5.050 3.413 2.506 4.290 . 0 0 "[ . 1 . 2]" 2
585 1 90 ALA HA 1 96 LYS HA 4.740 . 4.740 2.037 1.592 2.603 . 0 0 "[ . 1 . 2]" 2
586 1 88 TYR QD 1 96 LYS HE3 5.660 . 5.660 5.297 4.307 5.820 0.160 9 0 "[ . 1 . 2]" 2
587 1 96 LYS QB 1 96 LYS HE3 4.610 . 4.610 2.306 2.082 4.184 . 0 0 "[ . 1 . 2]" 2
588 1 96 LYS HE3 1 96 LYS HG3 4.000 . 4.000 3.073 2.372 3.237 . 0 0 "[ . 1 . 2]" 2
589 1 71 ILE MD 1 96 LYS HE3 5.510 . 5.510 4.410 3.729 5.573 0.063 9 0 "[ . 1 . 2]" 2
590 1 88 TYR QD 1 96 LYS HE2 5.600 . 5.600 5.173 3.939 5.653 0.053 17 0 "[ . 1 . 2]" 2
591 1 88 TYR QE 1 96 LYS HE2 5.570 . 5.570 5.273 4.151 5.675 0.105 5 0 "[ . 1 . 2]" 2
592 1 96 LYS QB 1 96 LYS HE2 4.830 . 4.830 3.121 2.964 4.229 . 0 0 "[ . 1 . 2]" 2
593 1 96 LYS QB 1 97 ASP HA 6.060 . 6.060 4.735 4.562 4.921 . 0 0 "[ . 1 . 2]" 2
594 1 88 TYR HB3 1 96 LYS QB 6.050 . 6.050 2.601 2.009 3.487 . 0 0 "[ . 1 . 2]" 2
595 1 95 GLU HB2 1 96 LYS QB 4.630 . 4.630 4.496 4.039 4.867 0.237 13 0 "[ . 1 . 2]" 2
596 1 71 ILE MD 1 96 LYS QB 5.600 . 5.600 3.636 2.986 4.452 . 0 0 "[ . 1 . 2]" 2
597 1 96 LYS H 1 96 LYS HD2 6.240 . 6.240 2.421 1.912 2.751 . 0 0 "[ . 1 . 2]" 2
598 1 96 LYS HD2 1 97 ASP HA 5.680 . 5.680 5.206 4.563 5.701 0.021 1 0 "[ . 1 . 2]" 2
599 1 90 ALA HA 1 97 ASP HB3 6.290 . 6.290 4.650 4.012 5.865 . 0 0 "[ . 1 . 2]" 2
600 1 89 PHE HB2 1 97 ASP HB3 6.250 . 6.250 4.513 2.568 6.342 0.092 4 0 "[ . 1 . 2]" 2
601 1 91 THR MG 1 97 ASP HB3 5.390 . 5.390 5.409 4.158 5.789 0.399 3 0 "[ . 1 . 2]" 2
602 1 25 ASP HB3 1 32 LEU MD1 4.950 . 4.950 2.383 2.007 2.750 . 0 0 "[ . 1 . 2]" 2
603 1 89 PHE QD 1 100 MET HG2 6.250 . 6.250 3.903 3.050 5.195 . 0 0 "[ . 1 . 2]" 2
604 1 138 VAL MG2 1 142 MET HG2 . . 4.480 3.066 2.172 3.577 . 0 0 "[ . 1 . 2]" 2
605 1 89 PHE QD 1 100 MET ME 5.170 . 5.170 4.570 2.871 5.232 0.062 2 0 "[ . 1 . 2]" 2
606 1 12 PHE QD 1 142 MET ME 4.700 . 4.700 3.169 2.091 4.788 0.088 11 0 "[ . 1 . 2]" 2
607 1 100 MET HA 1 100 MET ME 5.260 . 5.260 4.048 2.926 4.223 . 0 0 "[ . 1 . 2]" 2
608 1 142 MET HA 1 142 MET ME 4.500 . 4.500 4.467 4.109 4.630 0.130 1 0 "[ . 1 . 2]" 2
609 1 100 MET ME 1 101 PRO HD2 4.990 . 4.990 3.446 2.156 4.451 . 0 0 "[ . 1 . 2]" 2
610 1 12 PHE HB2 1 142 MET ME 4.600 . 4.600 3.286 2.343 4.073 . 0 0 "[ . 1 . 2]" 2
611 1 100 MET HB2 1 100 MET ME 4.440 . 4.440 2.338 1.949 4.355 . 0 0 "[ . 1 . 2]" 2
612 1 138 VAL MG2 1 142 MET ME 3.660 . 3.660 2.241 1.850 3.093 . 0 0 "[ . 1 . 2]" 2
613 1 10 ILE MD 1 142 MET ME 3.800 . 3.800 3.293 2.622 3.905 0.105 19 0 "[ . 1 . 2]" 2
614 1 100 MET HA 1 101 PRO HG2 5.230 . 5.230 4.649 4.512 4.755 . 0 0 "[ . 1 . 2]" 2
615 1 86 LEU MD2 1 102 GLY HA2 6.130 . 6.130 4.285 3.188 5.342 . 0 0 "[ . 1 . 2]" 2
616 1 88 TYR QD 1 102 GLY HA3 6.080 . 6.080 4.218 3.418 4.809 . 0 0 "[ . 1 . 2]" 2
617 1 87 ASP H 1 103 MET HG2 5.510 . 5.510 4.587 3.569 5.192 . 0 0 "[ . 1 . 2]" 2
618 1 133 ALA HA 1 138 VAL HB 4.240 . 4.240 3.481 3.109 3.902 . 0 0 "[ . 1 . 2]" 2
619 1 103 MET HG2 1 105 ILE HG13 5.440 . 5.440 5.179 4.118 5.544 0.104 12 0 "[ . 1 . 2]" 2
620 1 103 MET HG2 1 105 ILE MD 5.130 . 5.130 2.767 1.842 3.176 . 0 0 "[ . 1 . 2]" 2
621 1 103 MET ME 1 123 THR H 5.940 . 5.940 3.527 2.906 4.537 . 0 0 "[ . 1 . 2]" 2
622 1 87 ASP H 1 103 MET ME 5.610 . 5.610 5.448 5.011 5.732 0.122 15 0 "[ . 1 . 2]" 2
623 1 103 MET ME 1 104 HIS H 5.500 . 5.500 4.151 2.922 5.467 . 0 0 "[ . 1 . 2]" 2
624 1 9 LYS HA 1 103 MET ME 6.060 . 6.060 4.928 4.483 5.641 . 0 0 "[ . 1 . 2]" 2
625 1 103 MET ME 1 122 SER HA 5.700 . 5.700 3.390 2.990 4.165 . 0 0 "[ . 1 . 2]" 2
626 1 103 MET ME 1 124 PHE HA 4.680 . 4.680 2.945 2.578 3.775 . 0 0 "[ . 1 . 2]" 2
627 1 103 MET HA 1 103 MET ME 5.210 . 5.210 4.268 3.922 4.898 . 0 0 "[ . 1 . 2]" 2
628 1 103 MET ME 1 122 SER HB2 4.790 . 4.790 3.213 1.930 4.021 . 0 0 "[ . 1 . 2]" 2
629 1 103 MET ME 1 122 SER HB3 4.560 . 4.560 2.334 1.839 3.368 . 0 0 "[ . 1 . 2]" 2
630 1 103 MET HB3 1 103 MET ME 4.400 . 4.400 4.203 3.941 4.319 . 0 0 "[ . 1 . 2]" 2
631 1 103 MET ME 1 105 ILE HG12 4.330 . 4.330 3.819 3.360 4.446 0.116 8 0 "[ . 1 . 2]" 2
632 1 10 ILE MD 1 103 MET ME 4.770 . 4.770 4.652 4.296 4.903 0.133 14 0 "[ . 1 . 2]" 2
633 1 103 MET ME 1 105 ILE HG13 4.740 . 4.740 3.113 2.468 4.104 . 0 0 "[ . 1 . 2]" 2
634 1 103 MET ME 1 105 ILE MD 4.230 . 4.230 2.076 1.739 2.351 . 0 0 "[ . 1 . 2]" 2
635 1 5 LYS HB2 1 10 ILE MG 5.950 . 5.950 5.384 4.314 5.998 0.048 10 0 "[ . 1 . 2]" 2
636 1 103 MET HB2 1 105 ILE MD 5.310 . 5.310 4.378 4.193 4.556 . 0 0 "[ . 1 . 2]" 2
637 1 87 ASP H 1 103 MET HG3 5.670 . 5.670 4.017 3.282 5.366 . 0 0 "[ . 1 . 2]" 2
638 1 103 MET HG3 1 104 HIS H 6.010 . 6.010 3.648 2.491 4.081 . 0 0 "[ . 1 . 2]" 2
639 1 20 ILE HA 1 23 VAL HB 5.760 . 5.760 2.415 2.025 2.838 . 0 0 "[ . 1 . 2]" 2
640 1 103 MET HG3 1 105 ILE MD . . 4.840 2.206 1.931 3.086 . 0 0 "[ . 1 . 2]" 2
641 1 103 MET HA 1 104 HIS QB 6.200 . 6.200 4.120 3.917 4.572 . 0 0 "[ . 1 . 2]" 2
642 1 85 TYR QE 1 105 ILE HB . . 5.500 3.273 3.076 3.470 . 0 0 "[ . 1 . 2]" 2
643 1 104 HIS HA 1 105 ILE HB . . 5.640 4.781 4.386 4.958 . 0 0 "[ . 1 . 2]" 2
644 1 105 ILE HA 1 105 ILE HG13 4.430 . 4.430 2.547 2.395 2.649 . 0 0 "[ . 1 . 2]" 2
645 1 105 ILE MD 1 123 THR H 6.150 . 6.150 3.743 2.305 4.624 . 0 0 "[ . 1 . 2]" 2
646 1 105 ILE MD 1 106 THR H 5.880 . 5.880 4.744 4.363 5.000 . 0 0 "[ . 1 . 2]" 2
647 1 85 TYR QE 1 105 ILE MD 4.440 . 4.440 3.007 2.448 4.014 . 0 0 "[ . 1 . 2]" 2
648 1 85 TYR QD 1 105 ILE MD 5.550 . 5.550 3.875 3.302 4.616 . 0 0 "[ . 1 . 2]" 2
649 1 104 HIS HA 1 105 ILE MD 6.040 . 6.040 3.545 3.175 3.899 . 0 0 "[ . 1 . 2]" 2
650 1 105 ILE MD 1 122 SER HB2 5.730 . 5.730 4.432 2.532 5.298 . 0 0 "[ . 1 . 2]" 2
651 1 105 ILE MD 1 122 SER HB3 5.500 . 5.500 3.337 2.577 3.967 . 0 0 "[ . 1 . 2]" 2
652 1 85 TYR QE 1 105 ILE MG . . 4.370 2.915 2.555 3.223 . 0 0 "[ . 1 . 2]" 2
653 1 85 TYR QD 1 105 ILE MG 6.130 . 6.130 3.848 3.210 4.234 . 0 0 "[ . 1 . 2]" 2
654 1 105 ILE MG 1 122 SER HA 5.410 . 5.410 3.585 2.992 4.468 . 0 0 "[ . 1 . 2]" 2
655 1 105 ILE MG 1 120 SER HB2 5.940 . 5.940 2.682 2.051 4.319 . 0 0 "[ . 1 . 2]" 2
656 1 105 ILE MG 1 107 LEU HG 4.840 . 4.840 2.264 1.999 2.673 . 0 0 "[ . 1 . 2]" 2
657 1 105 ILE HG13 1 107 LEU HG 5.020 . 5.020 5.312 5.085 5.420 0.400 9 0 "[ . 1 . 2]" 2
658 1 103 MET HG3 1 105 ILE HG12 5.590 . 5.590 4.790 4.391 5.792 0.202 4 0 "[ . 1 . 2]" 2
659 1 82 TYR QE 1 106 THR HB . . 4.640 2.821 1.943 4.658 0.018 9 0 "[ . 1 . 2]" 2
660 1 82 TYR QD 1 106 THR MG 5.960 . 5.960 4.897 3.567 5.473 . 0 0 "[ . 1 . 2]" 2
661 1 82 TYR QE 1 106 THR MG . . 4.480 3.369 2.143 4.462 . 0 0 "[ . 1 . 2]" 2
662 1 84 GLU QG 1 106 THR MG 4.700 . 4.700 2.040 1.567 2.783 . 0 0 "[ . 1 . 2]" 2
663 1 83 ILE MG 1 106 THR MG 5.080 . 5.080 5.258 5.184 5.349 0.269 1 0 "[ . 1 . 2]" 2
664 1 35 GLN HB2 1 152 LEU MD1 4.120 . 4.120 2.463 2.126 2.909 . 0 0 "[ . 1 . 2]" 2
665 1 85 TYR QE 1 107 LEU HG . . 4.830 4.259 4.010 4.807 . 0 0 "[ . 1 . 2]" 2
666 1 82 TYR QD 1 108 ASN HA . . 5.500 3.032 2.249 4.657 . 0 0 "[ . 1 . 2]" 2
667 1 108 ASN HA 1 109 PHE QD 5.690 . 5.690 3.779 3.033 5.887 0.197 5 0 "[ . 1 . 2]" 2
668 1 82 TYR QD 1 108 ASN HB2 6.010 . 6.010 4.388 2.780 5.153 . 0 0 "[ . 1 . 2]" 2
669 1 107 LEU HA 1 108 ASN HB2 6.300 . 6.300 4.426 4.126 4.725 . 0 0 "[ . 1 . 2]" 2
670 1 108 ASN HB2 1 119 THR HB . . 4.660 3.745 2.564 4.801 0.141 2 0 "[ . 1 . 2]" 2
671 1 108 ASN HB2 1 119 THR MG 5.710 . 5.710 4.498 3.678 5.437 . 0 0 "[ . 1 . 2]" 2
672 1 108 ASN HB3 1 109 PHE H 5.160 . 5.160 3.260 2.674 4.087 . 0 0 "[ . 1 . 2]" 2
673 1 108 ASN HB3 1 119 THR HB 5.110 . 5.110 4.404 2.578 5.295 0.185 6 0 "[ . 1 . 2]" 2
674 1 113 LYS HA 1 113 LYS HG2 4.170 . 4.170 2.884 2.537 3.820 . 0 0 "[ . 1 . 2]" 2
675 1 152 LEU MD1 1 153 LEU HA 5.830 . 5.830 3.971 3.734 4.136 . 0 0 "[ . 1 . 2]" 2
676 1 152 LEU MD2 1 153 LEU HA 5.810 . 5.810 4.621 4.401 4.781 . 0 0 "[ . 1 . 2]" 2
677 1 115 LYS HG2 1 116 THR H 6.300 . 6.300 4.430 4.035 4.860 . 0 0 "[ . 1 . 2]" 2
678 1 115 LYS HG3 1 116 THR H 6.070 . 6.070 5.032 4.094 5.235 . 0 0 "[ . 1 . 2]" 2
679 1 17 SER HA 1 115 LYS HB3 5.920 . 5.920 3.224 2.660 4.066 . 0 0 "[ . 1 . 2]" 2
680 1 151 LYS QD 1 157 LEU MD1 4.950 . 4.950 3.933 2.174 5.014 0.064 19 0 "[ . 1 . 2]" 2
681 1 23 VAL MG1 1 116 THR HB 5.420 . 5.420 3.336 2.340 4.138 . 0 0 "[ . 1 . 2]" 2
682 1 23 VAL HB 1 116 THR MG 4.430 . 4.430 2.751 2.363 4.088 . 0 0 "[ . 1 . 2]" 2
683 1 15 THR HA 1 117 THR HA 4.440 . 4.440 2.442 2.086 2.805 . 0 0 "[ . 1 . 2]" 2
684 1 24 PHE QD 1 118 VAL MG1 5.460 . 5.460 5.508 5.063 5.631 0.171 18 0 "[ . 1 . 2]" 2
685 1 118 VAL MG1 1 119 THR HA 5.730 . 5.730 4.187 3.966 4.541 . 0 0 "[ . 1 . 2]" 2
686 1 118 VAL MG1 1 119 THR HB 5.620 . 5.620 4.954 4.451 5.884 0.264 12 0 "[ . 1 . 2]" 2
687 1 118 VAL MG1 1 120 SER HB2 5.630 . 5.630 5.130 4.383 5.661 0.031 9 0 "[ . 1 . 2]" 2
688 1 107 LEU HB3 1 118 VAL MG1 4.190 . 4.190 2.305 1.924 3.542 . 0 0 "[ . 1 . 2]" 2
689 1 118 VAL H 1 118 VAL MG2 4.750 . 4.750 3.140 2.734 4.048 . 0 0 "[ . 1 . 2]" 2
690 1 72 ALA MB 1 87 ASP HA 5.250 . 5.250 3.337 2.723 3.935 . 0 0 "[ . 1 . 2]" 2
691 1 117 THR HA 1 118 VAL MG2 6.220 . 6.220 4.311 3.776 5.642 . 0 0 "[ . 1 . 2]" 2
692 1 107 LEU HA 1 120 SER HA 5.160 . 5.160 2.060 1.932 2.351 . 0 0 "[ . 1 . 2]" 2
693 1 107 LEU HB3 1 120 SER HA 4.600 . 4.600 3.310 3.075 3.845 . 0 0 "[ . 1 . 2]" 2
694 1 105 ILE MG 1 120 SER HA 6.020 . 6.020 3.608 3.151 4.632 . 0 0 "[ . 1 . 2]" 2
695 1 12 PHE HB2 1 120 SER HB2 5.450 . 5.450 5.345 5.121 5.529 0.079 11 0 "[ . 1 . 2]" 2
696 1 107 LEU HB3 1 120 SER HB2 4.390 . 4.390 4.477 4.428 4.541 0.151 16 0 "[ . 1 . 2]" 2
697 1 12 PHE QD 1 120 SER HB3 6.130 . 6.130 4.379 3.738 5.114 . 0 0 "[ . 1 . 2]" 2
698 1 12 PHE HB3 1 120 SER HB3 5.620 . 5.620 3.822 3.678 4.011 . 0 0 "[ . 1 . 2]" 2
699 1 119 THR MG 1 120 SER HB3 6.150 . 6.150 5.216 5.012 5.398 . 0 0 "[ . 1 . 2]" 2
700 1 107 LEU HB3 1 120 SER HB3 4.670 . 4.670 3.758 3.525 4.270 . 0 0 "[ . 1 . 2]" 2
701 1 118 VAL MG1 1 120 SER HB3 5.840 . 5.840 3.931 3.290 4.452 . 0 0 "[ . 1 . 2]" 2
702 1 11 ILE HG13 1 121 THR HA 5.400 . 5.400 3.777 2.387 5.248 . 0 0 "[ . 1 . 2]" 2
703 1 6 LYS QE 1 121 THR MG 5.160 . 5.160 4.718 2.821 5.324 0.164 9 0 "[ . 1 . 2]" 2
704 1 9 LYS HB2 1 121 THR MG 5.570 . 5.570 4.548 3.493 4.918 . 0 0 "[ . 1 . 2]" 2
705 1 11 ILE MG 1 121 THR MG 4.280 . 4.280 3.714 3.250 4.313 0.033 7 0 "[ . 1 . 2]" 2
706 1 9 LYS HA 1 122 SER HB3 5.320 . 5.320 5.417 5.267 5.740 0.420 2 0 "[ . 1 . 2]" 2
707 1 9 LYS HA 1 122 SER HB2 5.270 . 5.270 4.830 4.569 5.076 . 0 0 "[ . 1 . 2]" 2
708 1 104 HIS QB 1 123 THR HB 4.570 . 4.570 2.603 1.757 4.419 . 0 0 "[ . 1 . 2]" 2
709 1 9 LYS HA 1 123 THR MG . . 6.020 3.803 2.943 4.806 . 0 0 "[ . 1 . 2]" 2
710 1 124 PHE HA 1 125 PRO HD2 4.490 . 4.490 2.803 2.543 3.061 . 0 0 "[ . 1 . 2]" 2
711 1 123 THR HA 1 124 PHE HB2 5.630 . 5.630 4.411 4.230 4.510 . 0 0 "[ . 1 . 2]" 2
712 1 124 PHE HB2 1 125 PRO HD2 5.680 . 5.680 3.646 3.532 3.798 . 0 0 "[ . 1 . 2]" 2
713 1 124 PHE HB2 1 129 ALA MB . . 4.340 3.325 2.948 3.710 . 0 0 "[ . 1 . 2]" 2
714 1 124 PHE HB3 1 125 PRO HD2 5.610 . 5.610 1.998 1.867 2.151 . 0 0 "[ . 1 . 2]" 2
715 1 124 PHE HB3 1 129 ALA MB . . 4.770 2.294 1.938 2.656 . 0 0 "[ . 1 . 2]" 2
716 1 124 PHE HB3 1 130 ALA MB 5.500 . 5.500 3.122 2.974 3.293 . 0 0 "[ . 1 . 2]" 2
717 1 100 MET ME 1 125 PRO HD3 5.480 . 5.480 4.237 3.136 5.244 . 0 0 "[ . 1 . 2]" 2
718 1 128 SER HA 1 131 GLN QB 4.650 . 4.650 2.920 1.867 3.759 . 0 0 "[ . 1 . 2]" 2
719 1 124 PHE H 1 129 ALA MB 6.300 . 6.300 5.198 4.811 5.645 . 0 0 "[ . 1 . 2]" 2
720 1 124 PHE QD 1 129 ALA MB 4.230 . 4.230 3.014 2.315 3.525 . 0 0 "[ . 1 . 2]" 2
721 1 124 PHE HA 1 129 ALA MB 5.250 . 5.250 4.312 3.999 4.747 . 0 0 "[ . 1 . 2]" 2
722 1 125 PRO HD2 1 129 ALA MB 4.340 . 4.340 2.422 2.117 2.888 . 0 0 "[ . 1 . 2]" 2
723 1 129 ALA MB 1 130 ALA HA 5.720 . 5.720 4.002 3.910 4.083 . 0 0 "[ . 1 . 2]" 2
724 1 8 ASN HB2 1 129 ALA MB 4.760 . 4.760 4.147 3.340 4.782 0.022 7 0 "[ . 1 . 2]" 2
725 1 129 ALA MB 1 130 ALA MB 4.800 . 4.800 3.746 3.581 3.904 . 0 0 "[ . 1 . 2]" 2
726 1 129 ALA HA 1 132 GLN H 5.100 . 5.100 3.682 3.445 4.001 . 0 0 "[ . 1 . 2]" 2
727 1 10 ILE QG 1 130 ALA HA 5.830 . 5.830 3.419 3.054 3.914 . 0 0 "[ . 1 . 2]" 2
728 1 130 ALA HA 1 133 ALA MB . . 4.590 2.735 2.440 3.305 . 0 0 "[ . 1 . 2]" 2
729 1 5 LYS QE 1 131 GLN HA 5.660 . 5.660 5.169 2.976 6.043 0.383 1 0 "[ . 1 . 2]" 2
730 1 131 GLN HA 1 134 ILE HB 4.770 . 4.770 3.004 2.569 3.356 . 0 0 "[ . 1 . 2]" 2
731 1 131 GLN HA 1 134 ILE HG12 5.450 . 5.450 3.275 2.195 4.144 . 0 0 "[ . 1 . 2]" 2
732 1 131 GLN HA 1 134 ILE HG13 5.620 . 5.620 2.951 2.277 3.489 . 0 0 "[ . 1 . 2]" 2
733 1 131 GLN HA 1 134 ILE MG . . 5.280 4.220 3.873 4.446 . 0 0 "[ . 1 . 2]" 2
734 1 131 GLN HA 1 134 ILE MD . . 4.750 3.495 1.730 4.716 . 0 0 "[ . 1 . 2]" 2
735 1 131 GLN HG2 1 132 GLN HA 4.840 . 4.840 5.072 4.957 5.130 0.290 1 0 "[ . 1 . 2]" 2
736 1 132 GLN HG2 1 133 ALA H 5.730 . 5.730 4.684 2.702 5.520 . 0 0 "[ . 1 . 2]" 2
737 1 129 ALA MB 1 132 GLN HG2 5.740 . 5.740 5.507 4.096 5.830 0.090 17 0 "[ . 1 . 2]" 2
738 1 145 THR MG 1 148 GLN HG3 6.160 . 6.160 4.220 3.534 6.249 0.089 14 0 "[ . 1 . 2]" 2
739 1 132 GLN H 1 132 GLN HG3 5.170 . 5.170 4.193 3.399 4.559 . 0 0 "[ . 1 . 2]" 2
740 1 132 GLN HG3 1 135 ASP HB2 5.230 . 5.230 4.309 3.729 5.373 0.143 19 0 "[ . 1 . 2]" 2
741 1 133 ALA MB 1 138 VAL HB 4.280 . 4.280 2.374 2.080 3.420 . 0 0 "[ . 1 . 2]" 2
742 1 133 ALA HA 1 136 MET HB3 4.660 . 4.660 2.495 2.225 3.905 . 0 0 "[ . 1 . 2]" 2
743 1 133 ALA H 1 134 ILE HB 5.540 . 5.540 4.957 4.775 5.129 . 0 0 "[ . 1 . 2]" 2
744 1 134 ILE MD 1 135 ASP H 5.350 . 5.350 4.607 4.349 4.827 . 0 0 "[ . 1 . 2]" 2
745 1 131 GLN HE21 1 134 ILE MD 5.810 . 5.810 4.443 1.767 5.536 . 0 0 "[ . 1 . 2]" 2
746 1 133 ALA H 1 134 ILE MD 6.170 . 6.170 5.169 4.665 5.541 . 0 0 "[ . 1 . 2]" 2
747 1 131 GLN HE22 1 134 ILE MD 6.150 . 6.150 4.294 2.626 5.463 . 0 0 "[ . 1 . 2]" 2
748 1 5 LYS HA 1 134 ILE MD 5.790 . 5.790 4.624 3.191 5.239 . 0 0 "[ . 1 . 2]" 2
749 1 5 LYS QE 1 134 ILE MD 5.740 . 5.740 2.802 1.850 3.791 . 0 0 "[ . 1 . 2]" 2
750 1 5 LYS QG 1 134 ILE MD 3.890 . 3.890 2.624 1.876 3.958 0.068 14 0 "[ . 1 . 2]" 2
751 1 134 ILE MG 1 135 ASP H 4.670 . 4.670 3.478 3.326 3.625 . 0 0 "[ . 1 . 2]" 2
752 1 134 ILE MG 1 135 ASP HA 4.940 . 4.940 3.700 3.508 3.907 . 0 0 "[ . 1 . 2]" 2
753 1 5 LYS HB2 1 134 ILE MG 5.530 . 5.530 4.919 4.189 5.343 . 0 0 "[ . 1 . 2]" 2
754 1 5 LYS QG 1 134 ILE MG 4.410 . 4.410 3.461 2.389 4.043 . 0 0 "[ . 1 . 2]" 2
755 1 134 ILE MD 1 134 ILE MG 3.530 . 3.530 2.079 2.022 2.145 . 0 0 "[ . 1 . 2]" 2
756 1 134 ILE HG13 1 135 ASP H 6.250 . 6.250 4.646 3.902 5.088 . 0 0 "[ . 1 . 2]" 2
757 1 134 ILE H 1 134 ILE HG13 4.830 . 4.830 3.076 1.972 3.661 . 0 0 "[ . 1 . 2]" 2
758 1 133 ALA H 1 134 ILE HG13 6.260 . 6.260 5.255 4.045 5.980 . 0 0 "[ . 1 . 2]" 2
759 1 136 MET HB3 1 138 VAL MG1 5.240 . 5.240 4.579 4.098 5.481 0.241 10 0 "[ . 1 . 2]" 2
760 1 133 ALA HA 1 136 MET ME 5.660 . 5.660 3.613 1.886 4.243 . 0 0 "[ . 1 . 2]" 2
761 1 133 ALA MB 1 136 MET ME 5.090 . 5.090 4.387 2.357 5.144 0.054 19 0 "[ . 1 . 2]" 2
762 1 136 MET HG3 1 138 VAL MG2 6.290 . 6.290 5.579 3.780 6.331 0.041 9 0 "[ . 1 . 2]" 2
763 1 136 MET H 1 137 GLY HA3 6.230 . 6.230 5.226 5.125 5.305 . 0 0 "[ . 1 . 2]" 2
764 1 133 ALA MB 1 138 VAL MG1 4.350 . 4.350 2.322 1.699 3.348 . 0 0 "[ . 1 . 2]" 2
765 1 139 GLU HA 1 142 MET H 5.620 . 5.620 3.943 3.537 4.702 . 0 0 "[ . 1 . 2]" 2
766 1 139 GLU HA 1 142 MET HB2 5.350 . 5.350 3.367 2.672 4.371 . 0 0 "[ . 1 . 2]" 2
767 1 3 ILE MD 1 139 GLU HA 4.570 . 4.570 3.317 2.543 4.272 . 0 0 "[ . 1 . 2]" 2
768 1 139 GLU HG2 1 140 THR H 6.180 . 6.180 4.409 3.378 5.005 . 0 0 "[ . 1 . 2]" 2
769 1 16 PHE QD 1 150 GLU HG2 5.660 . 5.660 4.868 4.322 5.698 0.038 5 0 "[ . 1 . 2]" 2
770 1 150 GLU H 1 150 GLU HG3 5.690 . 5.690 4.508 4.431 4.564 . 0 0 "[ . 1 . 2]" 2
771 1 150 GLU HG3 1 151 LYS H 5.960 . 5.960 4.551 3.475 4.868 . 0 0 "[ . 1 . 2]" 2
772 1 16 PHE QD 1 150 GLU HG3 . . 5.020 3.794 2.800 5.089 0.069 10 0 "[ . 1 . 2]" 2
773 1 140 THR MG 1 141 GLY HA3 5.310 . 5.310 4.765 3.731 5.599 0.289 18 0 "[ . 1 . 2]" 2
774 1 142 MET HA 1 145 THR H 5.750 . 5.750 3.537 3.089 3.928 . 0 0 "[ . 1 . 2]" 2
775 1 139 GLU HA 1 142 MET HB3 6.110 . 6.110 5.018 4.194 6.039 . 0 0 "[ . 1 . 2]" 2
776 1 12 PHE HB3 1 142 MET ME 4.680 . 4.680 4.287 3.554 4.699 0.019 10 0 "[ . 1 . 2]" 2
777 1 133 ALA MB 1 142 MET ME 4.510 . 4.510 4.377 3.807 4.670 0.160 6 0 "[ . 1 . 2]" 2
778 1 143 ASN HB3 1 144 SER HA 6.150 . 6.150 4.310 4.125 4.496 . 0 0 "[ . 1 . 2]" 2
779 1 144 SER HA 1 145 THR H 5.490 . 5.490 3.564 3.516 3.589 . 0 0 "[ . 1 . 2]" 2
780 1 144 SER HA 1 147 ASN HB2 5.410 . 5.410 2.716 1.990 3.448 . 0 0 "[ . 1 . 2]" 2
781 1 144 SER HB2 1 145 THR H 5.500 . 5.500 3.169 2.530 3.967 . 0 0 "[ . 1 . 2]" 2
782 1 141 GLY HA3 1 144 SER HB2 5.220 . 5.220 4.814 4.331 5.286 0.066 15 0 "[ . 1 . 2]" 2
783 1 145 THR HB 1 146 LEU HG 5.990 . 5.990 3.522 3.252 3.916 . 0 0 "[ . 1 . 2]" 2
784 1 145 THR HA 1 148 GLN HG2 . . 5.090 2.759 2.142 5.083 . 0 0 "[ . 1 . 2]" 2
785 1 146 LEU HA 1 149 LEU HB3 5.120 . 5.120 2.271 1.949 2.508 . 0 0 "[ . 1 . 2]" 2
786 1 14 ARG HB2 1 146 LEU MD2 5.490 . 5.490 5.004 4.160 5.525 0.035 6 0 "[ . 1 . 2]" 2
787 1 145 THR MG 1 146 LEU MD2 4.170 . 4.170 3.331 2.686 3.703 . 0 0 "[ . 1 . 2]" 2
788 1 16 PHE QE 1 146 LEU HB3 5.710 . 5.710 2.284 1.543 3.303 . 0 0 "[ . 1 . 2]" 2
789 1 14 ARG HG3 1 146 LEU HB3 5.080 . 5.080 3.609 2.514 5.072 . 0 0 "[ . 1 . 2]" 2
790 1 120 SER HB3 1 146 LEU MD1 5.930 . 5.930 4.704 4.141 5.412 . 0 0 "[ . 1 . 2]" 2
791 1 146 LEU MD1 1 149 LEU MD2 5.480 . 5.480 3.761 3.104 4.078 . 0 0 "[ . 1 . 2]" 2
792 1 12 PHE QE 1 146 LEU HB2 6.090 . 6.090 3.784 3.039 4.536 . 0 0 "[ . 1 . 2]" 2
793 1 143 ASN HA 1 146 LEU HB2 6.200 . 6.200 2.673 2.148 3.241 . 0 0 "[ . 1 . 2]" 2
794 1 31 GLU QB 1 32 LEU HA 6.110 . 6.110 4.552 4.287 4.726 . 0 0 "[ . 1 . 2]" 2
795 1 145 THR MG 1 146 LEU HG 5.800 . 5.800 4.205 3.588 4.741 . 0 0 "[ . 1 . 2]" 2
796 1 144 SER HA 1 147 ASN HB3 5.690 . 5.690 3.789 2.163 4.972 . 0 0 "[ . 1 . 2]" 2
797 1 36 TRP HA 1 148 GLN HB2 5.710 . 5.710 2.834 2.237 3.371 . 0 0 "[ . 1 . 2]" 2
798 1 145 THR HA 1 148 GLN HB2 5.100 . 5.100 3.266 2.801 4.120 . 0 0 "[ . 1 . 2]" 2
799 1 36 TRP HB3 1 148 GLN HB2 4.390 . 4.390 4.117 3.628 4.416 0.026 1 0 "[ . 1 . 2]" 2
800 1 36 TRP HB2 1 148 GLN HB2 5.610 . 5.610 2.974 2.642 3.348 . 0 0 "[ . 1 . 2]" 2
801 1 36 TRP HA 1 148 GLN HG2 6.300 . 6.300 4.957 3.657 5.548 . 0 0 "[ . 1 . 2]" 2
802 1 149 LEU HA 1 153 LEU H 6.180 . 6.180 4.170 3.968 4.310 . 0 0 "[ . 1 . 2]" 2
803 1 36 TRP HB2 1 149 LEU HA 5.910 . 5.910 2.676 2.345 3.091 . 0 0 "[ . 1 . 2]" 2
804 1 149 LEU HA 1 152 LEU HB3 5.260 . 5.260 2.340 2.125 2.480 . 0 0 "[ . 1 . 2]" 2
805 1 149 LEU HA 1 152 LEU MD2 . . 5.630 2.720 2.399 3.100 . 0 0 "[ . 1 . 2]" 2
806 1 149 LEU HA 1 153 LEU MD1 5.480 . 5.480 4.345 4.183 4.542 . 0 0 "[ . 1 . 2]" 2
807 1 149 LEU HA 1 149 LEU MD1 4.360 . 4.360 2.129 2.062 2.208 . 0 0 "[ . 1 . 2]" 2
808 1 149 LEU MD2 1 150 GLU H 6.300 . 6.300 4.573 4.301 4.818 . 0 0 "[ . 1 . 2]" 2
809 1 27 TYR H 1 149 LEU MD2 5.910 . 5.910 5.389 4.794 5.938 0.028 8 0 "[ . 1 . 2]" 2
810 1 16 PHE QD 1 149 LEU MD2 4.880 . 4.880 3.790 3.383 4.106 . 0 0 "[ . 1 . 2]" 2
811 1 36 TRP HZ2 1 149 LEU MD2 . . 5.430 4.078 3.605 4.630 . 0 0 "[ . 1 . 2]" 2
812 1 146 LEU HA 1 149 LEU MD2 6.080 . 6.080 3.260 2.992 3.513 . 0 0 "[ . 1 . 2]" 2
813 1 23 VAL HA 1 149 LEU MD2 5.590 . 5.590 3.898 3.205 4.504 . 0 0 "[ . 1 . 2]" 2
814 1 149 LEU HG 1 153 LEU MD1 4.280 . 4.280 2.274 2.114 2.428 . 0 0 "[ . 1 . 2]" 2
815 1 36 TRP HZ2 1 149 LEU MD1 . . 5.730 4.607 4.175 5.067 . 0 0 "[ . 1 . 2]" 2
816 1 26 ALA HA 1 149 LEU MD1 6.100 . 6.100 3.838 3.360 4.296 . 0 0 "[ . 1 . 2]" 2
817 1 33 PHE HA 1 149 LEU MD1 6.300 . 6.300 4.665 4.474 4.970 . 0 0 "[ . 1 . 2]" 2
818 1 36 TRP HB3 1 149 LEU MD1 6.220 . 6.220 2.879 2.507 3.278 . 0 0 "[ . 1 . 2]" 2
819 1 149 LEU MD1 1 152 LEU HB3 5.240 . 5.240 2.743 2.319 3.004 . 0 0 "[ . 1 . 2]" 2
820 1 23 VAL MG1 1 149 LEU MD1 5.810 . 5.810 4.116 3.137 4.663 . 0 0 "[ . 1 . 2]" 2
821 1 149 LEU MD1 1 152 LEU MD2 . . 4.440 1.879 1.771 1.985 . 0 0 "[ . 1 . 2]" 2
822 1 149 LEU MD1 1 153 LEU MD1 4.030 . 4.030 2.198 2.060 2.475 . 0 0 "[ . 1 . 2]" 2
823 1 16 PHE QD 1 150 GLU HA . . 5.020 3.041 2.417 4.051 . 0 0 "[ . 1 . 2]" 2
824 1 150 GLU HA 1 153 LEU HB2 5.330 . 5.330 3.230 2.902 3.803 . 0 0 "[ . 1 . 2]" 2
825 1 149 LEU HB3 1 150 GLU HA 5.640 . 5.640 4.483 4.384 4.613 . 0 0 "[ . 1 . 2]" 2
826 1 18 ALA MB 1 150 GLU HA 5.850 . 5.850 4.681 3.835 5.835 . 0 0 "[ . 1 . 2]" 2
827 1 150 GLU HA 1 153 LEU MD1 4.820 . 4.820 3.173 2.740 3.695 . 0 0 "[ . 1 . 2]" 2
828 1 150 GLU HB2 1 151 LYS H 5.810 . 5.810 3.846 3.754 3.967 . 0 0 "[ . 1 . 2]" 2
829 1 147 ASN HA 1 150 GLU HB3 5.930 . 5.930 2.743 2.233 3.988 . 0 0 "[ . 1 . 2]" 2
830 1 151 LYS HA 1 152 LEU H 5.540 . 5.540 3.526 3.466 3.567 . 0 0 "[ . 1 . 2]" 2
831 1 151 LYS HG2 1 152 LEU H 6.300 . 6.300 4.429 2.752 5.342 . 0 0 "[ . 1 . 2]" 2
832 1 151 LYS QB 1 157 LEU HB3 4.760 . 4.760 3.645 2.842 4.918 0.158 10 0 "[ . 1 . 2]" 2
833 1 151 LYS QB 1 157 LEU MD2 5.700 . 5.700 4.542 3.090 5.761 0.061 10 0 "[ . 1 . 2]" 2
834 1 151 LYS H 1 151 LYS QD 5.950 . 5.950 3.714 2.116 4.739 . 0 0 "[ . 1 . 2]" 2
835 1 36 TRP HD1 1 152 LEU MD1 5.170 . 5.170 4.412 4.125 4.766 . 0 0 "[ . 1 . 2]" 2
836 1 154 ASN HA 1 157 LEU MD1 5.550 . 5.550 4.920 3.962 5.693 0.143 15 0 "[ . 1 . 2]" 2
837 1 32 LEU HA 1 152 LEU MD1 5.220 . 5.220 2.716 2.187 3.361 . 0 0 "[ . 1 . 2]" 2
838 1 36 TRP HB3 1 152 LEU MD1 5.670 . 5.670 4.400 3.948 4.995 . 0 0 "[ . 1 . 2]" 2
839 1 152 LEU MD1 1 155 GLN HG2 4.880 . 4.880 4.151 3.713 4.946 0.066 15 0 "[ . 1 . 2]" 2
840 1 149 LEU MD1 1 152 LEU MD1 5.310 . 5.310 4.195 4.018 4.380 . 0 0 "[ . 1 . 2]" 2
841 1 149 LEU HA 1 152 LEU HB2 6.280 . 6.280 3.342 3.096 3.541 . 0 0 "[ . 1 . 2]" 2
842 1 152 LEU MD2 1 153 LEU H 5.460 . 5.460 4.006 3.826 4.249 . 0 0 "[ . 1 . 2]" 2
843 1 36 TRP HD1 1 152 LEU MD2 . . 4.320 2.241 2.060 2.516 . 0 0 "[ . 1 . 2]" 2
844 1 32 LEU HA 1 152 LEU MD2 5.320 . 5.320 2.767 2.533 3.066 . 0 0 "[ . 1 . 2]" 2
845 1 26 ALA HA 1 152 LEU MD2 4.920 . 4.920 3.569 3.123 3.878 . 0 0 "[ . 1 . 2]" 2
846 1 33 PHE HA 1 152 LEU MD2 5.690 . 5.690 4.181 3.964 4.482 . 0 0 "[ . 1 . 2]" 2
847 1 36 TRP HB2 1 152 LEU MD2 5.130 . 5.130 3.721 3.465 4.177 . 0 0 "[ . 1 . 2]" 2
848 1 35 GLN HB2 1 152 LEU MD2 4.910 . 4.910 2.369 2.088 2.828 . 0 0 "[ . 1 . 2]" 2
849 1 28 THR MG 1 74 TYR QD 6.160 . 6.160 4.930 4.097 5.426 . 0 0 "[ . 1 . 2]" 2
850 1 28 THR MG 1 74 TYR QE . . 5.310 4.872 3.685 5.372 0.062 14 0 "[ . 1 . 2]" 2
851 1 28 THR MG 1 77 VAL HA 5.970 . 5.970 5.587 5.081 5.985 0.015 9 0 "[ . 1 . 2]" 2
852 1 150 GLU HA 1 153 LEU HB3 6.300 . 6.300 4.928 4.607 5.516 . 0 0 "[ . 1 . 2]" 2
853 1 152 LEU HG 1 153 LEU HB3 5.230 . 5.230 4.929 4.763 5.155 . 0 0 "[ . 1 . 2]" 2
854 1 23 VAL MG2 1 153 LEU HB3 5.420 . 5.420 3.886 3.162 4.696 . 0 0 "[ . 1 . 2]" 2
855 1 16 PHE QD 1 153 LEU MD1 . . 4.770 3.461 2.936 4.149 . 0 0 "[ . 1 . 2]" 2
856 1 18 ALA HA 1 153 LEU MD1 6.170 . 6.170 5.398 4.772 6.001 . 0 0 "[ . 1 . 2]" 2
857 1 152 LEU HG 1 153 LEU MD1 4.450 . 4.450 4.394 4.261 4.514 0.064 10 0 "[ . 1 . 2]" 2
858 1 152 LEU HG 1 153 LEU HB2 5.050 . 5.050 4.818 4.655 4.997 . 0 0 "[ . 1 . 2]" 2
859 1 154 ASN HA 1 155 GLN QB 5.400 . 5.400 4.380 4.120 4.569 . 0 0 "[ . 1 . 2]" 2
860 1 22 LYS HB3 1 153 LEU HA 6.300 . 6.300 4.750 3.281 6.335 0.035 9 0 "[ . 1 . 2]" 2
861 1 154 ASN HB2 1 157 LEU MD1 5.420 . 5.420 2.795 2.202 3.614 . 0 0 "[ . 1 . 2]" 2
862 1 154 ASN HA 1 157 LEU HB3 5.820 . 5.820 5.568 4.688 6.051 0.231 13 0 "[ . 1 . 2]" 2
863 1 154 ASN HA 1 157 LEU HB2 5.350 . 5.350 4.655 4.299 5.238 . 0 0 "[ . 1 . 2]" 2
864 1 157 LEU H 1 157 LEU HG 5.670 . 5.670 4.598 4.104 5.157 . 0 0 "[ . 1 . 2]" 2
865 1 154 ASN HA 1 157 LEU HG 6.260 . 6.260 6.008 4.740 6.422 0.162 10 0 "[ . 1 . 2]" 2
866 1 3 ILE HB 1 4 GLU HA 4.920 . 4.920 4.732 4.264 5.137 0.217 7 0 "[ . 1 . 2]" 2
867 1 10 ILE MD 1 124 PHE QD 5.150 . 5.150 3.724 3.359 4.006 . 0 0 "[ . 1 . 2]" 2
868 1 10 ILE MD 1 134 ILE HG12 4.700 . 4.700 2.704 2.206 3.442 . 0 0 "[ . 1 . 2]" 2
869 1 9 LYS HA 1 10 ILE MG 6.300 . 6.300 5.588 5.536 5.652 . 0 0 "[ . 1 . 2]" 2
870 1 10 ILE MG 1 12 PHE HA 6.300 . 6.300 3.803 3.487 4.292 . 0 0 "[ . 1 . 2]" 2
871 1 4 GLU HB3 1 11 ILE MD 4.570 . 4.570 2.945 2.039 4.601 0.031 16 0 "[ . 1 . 2]" 2
872 1 4 GLU HG2 1 11 ILE MD 6.210 . 6.210 2.922 2.035 5.067 . 0 0 "[ . 1 . 2]" 2
873 1 4 GLU HG3 1 11 ILE MD 5.590 . 5.590 2.805 1.894 4.655 . 0 0 "[ . 1 . 2]" 2
874 1 4 GLU HB2 1 11 ILE MD 5.510 . 5.510 4.086 3.367 5.454 . 0 0 "[ . 1 . 2]" 2
875 1 3 ILE HB 1 12 PHE HA 5.940 . 5.940 3.143 2.232 4.938 . 0 0 "[ . 1 . 2]" 2
876 1 12 PHE HB2 1 142 MET HB2 6.300 . 6.300 5.032 4.104 5.898 . 0 0 "[ . 1 . 2]" 2
877 1 12 PHE HB2 1 146 LEU MD1 6.030 . 6.030 5.327 4.615 5.737 . 0 0 "[ . 1 . 2]" 2
878 1 12 PHE HB3 1 120 SER H 6.300 . 6.300 3.368 3.030 3.937 . 0 0 "[ . 1 . 2]" 2
879 1 12 PHE HB3 1 120 SER HA 6.300 . 6.300 5.201 4.863 5.437 . 0 0 "[ . 1 . 2]" 2
880 1 12 PHE HB3 1 120 SER HB2 . . 6.270 4.233 4.086 4.379 . 0 0 "[ . 1 . 2]" 2
881 1 12 PHE QD 1 13 THR HA 6.300 . 6.300 4.065 3.533 4.795 . 0 0 "[ . 1 . 2]" 2
882 1 13 THR HB 1 119 THR HB 6.250 . 6.250 4.682 4.276 5.925 . 0 0 "[ . 1 . 2]" 2
883 1 13 THR HB 1 119 THR HA 6.300 . 6.300 3.397 2.651 3.981 . 0 0 "[ . 1 . 2]" 2
884 1 19 PRO HD2 1 22 LYS H 6.300 . 6.300 5.014 4.390 5.397 . 0 0 "[ . 1 . 2]" 2
885 1 18 ALA HA 1 19 PRO HD2 6.300 . 6.300 2.254 2.101 2.386 . 0 0 "[ . 1 . 2]" 2
886 1 18 ALA HA 1 19 PRO HD3 6.300 . 6.300 2.731 2.602 2.846 . 0 0 "[ . 1 . 2]" 2
887 1 20 ILE HB 1 116 THR MG 6.260 . 6.260 2.768 2.025 3.621 . 0 0 "[ . 1 . 2]" 2
888 1 20 ILE MG 1 116 THR MG 4.650 . 4.650 3.980 3.229 4.639 . 0 0 "[ . 1 . 2]" 2
889 1 20 ILE MG 1 24 PHE HB3 5.860 . 5.860 5.003 4.397 5.399 . 0 0 "[ . 1 . 2]" 2
890 1 21 ASN HA 1 22 LYS H 6.200 . 6.200 3.586 3.497 3.621 . 0 0 "[ . 1 . 2]" 2
891 1 20 ILE MG 1 21 ASN HA 5.810 . 5.810 3.344 3.129 3.540 . 0 0 "[ . 1 . 2]" 2
892 1 21 ASN HA 1 80 PRO HB2 6.080 . 6.080 4.048 3.102 6.013 . 0 0 "[ . 1 . 2]" 2
893 1 21 ASN HA 1 80 PRO HB3 5.650 . 5.650 3.050 2.114 4.717 . 0 0 "[ . 1 . 2]" 2
894 1 21 ASN HA 1 24 PHE HB3 5.870 . 5.870 3.084 2.384 3.918 . 0 0 "[ . 1 . 2]" 2
895 1 17 SER H 1 23 VAL MG2 6.300 . 6.300 5.721 5.277 6.305 0.005 16 0 "[ . 1 . 2]" 2
896 1 23 VAL MG2 1 149 LEU MD1 6.250 . 6.250 4.419 3.902 4.760 . 0 0 "[ . 1 . 2]" 2
897 1 23 VAL MG2 1 149 LEU HG 6.090 . 6.090 4.502 3.825 5.101 . 0 0 "[ . 1 . 2]" 2
898 1 20 ILE HB 1 23 VAL MG2 5.350 . 5.350 4.657 4.279 5.068 . 0 0 "[ . 1 . 2]" 2
899 1 16 PHE HB2 1 23 VAL MG2 . . 5.290 2.824 2.445 3.344 . 0 0 "[ . 1 . 2]" 2
900 1 23 VAL MG1 1 24 PHE HA 6.010 . 6.010 3.636 3.340 3.816 . 0 0 "[ . 1 . 2]" 2
901 1 25 ASP HA 1 28 THR MG . . 5.790 3.723 3.235 4.032 . 0 0 "[ . 1 . 2]" 2
902 1 25 ASP HA 1 32 LEU MD1 6.150 . 6.150 3.873 3.767 4.090 . 0 0 "[ . 1 . 2]" 2
903 1 25 ASP HB3 1 32 LEU HG 5.820 . 5.820 4.384 3.969 5.012 . 0 0 "[ . 1 . 2]" 2
904 1 26 ALA MB 1 32 LEU HB2 6.100 . 6.100 3.669 3.080 4.221 . 0 0 "[ . 1 . 2]" 2
905 1 27 TYR HA 1 49 PHE QE 5.350 . 5.350 4.691 4.060 5.271 . 0 0 "[ . 1 . 2]" 2
906 1 27 TYR HA 1 36 TRP HZ2 . . 4.880 3.388 2.868 4.190 . 0 0 "[ . 1 . 2]" 2
907 1 31 GLU HA 1 33 PHE H 6.300 . 6.300 4.791 4.595 4.956 . 0 0 "[ . 1 . 2]" 2
908 1 33 PHE HA 1 37 PHE HB3 6.300 . 6.300 4.341 4.125 4.705 . 0 0 "[ . 1 . 2]" 2
909 1 32 LEU MD1 1 33 PHE HB2 6.300 . 6.300 5.727 5.587 5.867 . 0 0 "[ . 1 . 2]" 2
910 1 32 LEU H 1 33 PHE HB3 6.300 . 6.300 4.408 4.141 4.621 . 0 0 "[ . 1 . 2]" 2
911 1 33 PHE HB3 1 49 PHE QE . . 4.600 3.023 2.634 3.371 . 0 0 "[ . 1 . 2]" 2
912 1 29 LYS QB 1 33 PHE HB3 6.300 . 6.300 5.733 5.537 5.924 . 0 0 "[ . 1 . 2]" 2
913 1 33 PHE HB3 1 46 VAL MG1 6.300 . 6.300 4.411 3.961 4.856 . 0 0 "[ . 1 . 2]" 2
914 1 34 GLU HG2 1 35 GLN HA 5.800 . 5.800 5.849 5.538 5.965 0.165 11 0 "[ . 1 . 2]" 2
915 1 35 GLN HB3 1 36 TRP H 6.090 . 6.090 3.966 3.800 4.254 . 0 0 "[ . 1 . 2]" 2
916 1 35 GLN HB3 1 152 LEU MD1 5.670 . 5.670 2.578 2.241 3.098 . 0 0 "[ . 1 . 2]" 2
917 1 32 LEU MD2 1 35 GLN HB3 6.270 . 6.270 5.097 4.736 5.376 . 0 0 "[ . 1 . 2]" 2
918 1 32 LEU MD2 1 35 GLN HB2 6.020 . 6.020 4.158 3.835 4.415 . 0 0 "[ . 1 . 2]" 2
919 1 36 TRP HB3 1 149 LEU HA . . 5.500 2.324 2.227 2.454 . 0 0 "[ . 1 . 2]" 2
920 1 36 TRP HB2 1 145 THR MG 5.760 . 5.760 3.801 3.253 4.315 . 0 0 "[ . 1 . 2]" 2
921 1 36 TRP HB2 1 149 LEU H 6.300 . 6.300 2.944 2.683 3.231 . 0 0 "[ . 1 . 2]" 2
922 1 37 PHE HA 1 145 THR MG 4.760 . 4.760 2.389 2.059 2.915 . 0 0 "[ . 1 . 2]" 2
923 1 36 TRP HE3 1 37 PHE HA 5.720 . 5.720 3.199 3.045 3.395 . 0 0 "[ . 1 . 2]" 2
924 1 42 ALA MB 1 62 GLN H 5.390 . 5.390 4.352 3.845 4.708 . 0 0 "[ . 1 . 2]" 2
925 1 39 PRO HD3 1 42 ALA MB 4.620 . 4.620 4.013 3.646 4.400 . 0 0 "[ . 1 . 2]" 2
926 1 42 ALA HA 1 43 SER HA 6.300 . 6.300 4.461 4.403 4.598 . 0 0 "[ . 1 . 2]" 2
927 1 43 SER HB2 1 62 GLN HB3 . . 6.080 3.769 1.831 5.560 . 0 0 "[ . 1 . 2]" 2
928 1 44 VAL HA 1 45 THR HB 6.300 . 6.300 4.624 4.417 4.713 . 0 0 "[ . 1 . 2]" 2
929 1 44 VAL MG2 1 59 TYR QB 4.820 . 4.820 2.517 2.234 2.901 . 0 0 "[ . 1 . 2]" 2
930 1 45 THR MG 1 46 VAL HA 6.300 . 6.300 4.100 3.969 4.365 . 0 0 "[ . 1 . 2]" 2
931 1 46 VAL HA 1 49 PHE QD 6.300 . 6.300 5.077 4.772 5.466 . 0 0 "[ . 1 . 2]" 2
932 1 45 THR HA 1 46 VAL HB 6.270 . 6.270 4.787 4.645 4.893 . 0 0 "[ . 1 . 2]" 2
933 1 46 VAL MG1 1 47 TYR HA 5.660 . 5.660 4.250 3.892 4.605 . 0 0 "[ . 1 . 2]" 2
934 1 46 VAL MG1 1 49 PHE HA 5.960 . 5.960 3.637 3.126 3.887 . 0 0 "[ . 1 . 2]" 2
935 1 51 ALA MB 1 77 VAL MG1 . . 4.730 3.298 2.282 4.723 . 0 0 "[ . 1 . 2]" 2
936 1 29 LYS QE 1 51 ALA MB 6.280 . 6.280 5.492 4.055 6.363 0.083 4 0 "[ . 1 . 2]" 2
937 1 51 ALA MB 1 52 THR HA 6.300 . 6.300 4.250 4.182 4.359 . 0 0 "[ . 1 . 2]" 2
938 1 50 ASN HB3 1 55 GLY HA3 6.210 . 6.210 3.594 2.934 4.062 . 0 0 "[ . 1 . 2]" 2
939 1 55 GLY HA3 1 74 TYR HB2 6.300 . 6.300 2.899 2.260 3.544 . 0 0 "[ . 1 . 2]" 2
940 1 50 ASN HB3 1 55 GLY HA2 6.300 . 6.300 3.625 3.003 4.059 . 0 0 "[ . 1 . 2]" 2
941 1 52 THR MG 1 55 GLY HA2 . . 5.760 3.343 2.594 4.864 . 0 0 "[ . 1 . 2]" 2
942 1 56 SER HA 1 74 TYR QE 5.680 . 5.680 4.042 3.538 5.229 . 0 0 "[ . 1 . 2]" 2
943 1 55 GLY HA3 1 56 SER QB 6.300 . 6.300 4.831 4.545 5.091 . 0 0 "[ . 1 . 2]" 2
944 1 46 VAL MG1 1 58 PHE HA 6.300 . 6.300 5.017 4.443 5.490 . 0 0 "[ . 1 . 2]" 2
945 1 57 ALA MB 1 58 PHE HA 6.300 . 6.300 4.296 3.956 4.425 . 0 0 "[ . 1 . 2]" 2
946 1 57 ALA HA 1 58 PHE HB2 6.300 . 6.300 4.750 4.555 4.894 . 0 0 "[ . 1 . 2]" 2
947 1 61 ILE HB 1 62 GLN H 6.260 . 6.260 4.448 4.405 4.486 . 0 0 "[ . 1 . 2]" 2
948 1 61 ILE MG 1 68 SER H 6.300 . 6.300 3.948 3.772 4.127 . 0 0 "[ . 1 . 2]" 2
949 1 43 SER H 1 62 GLN HG2 6.300 . 6.300 5.837 4.835 6.394 0.094 16 0 "[ . 1 . 2]" 2
950 1 63 ALA MB 1 64 PRO HG3 5.790 . 5.790 4.591 4.357 4.817 . 0 0 "[ . 1 . 2]" 2
951 1 62 GLN HA 1 63 ALA MB 5.030 . 5.030 4.154 4.085 4.229 . 0 0 "[ . 1 . 2]" 2
952 1 64 PRO HB2 1 65 GLN H 6.300 . 6.300 3.388 2.490 4.329 . 0 0 "[ . 1 . 2]" 2
953 1 42 ALA MB 1 64 PRO HD2 6.300 . 6.300 3.253 2.771 3.920 . 0 0 "[ . 1 . 2]" 2
954 1 42 ALA HA 1 64 PRO HD2 6.060 . 6.060 4.044 3.537 4.870 . 0 0 "[ . 1 . 2]" 2
955 1 67 ILE HA 1 68 SER QB 5.720 . 5.720 4.379 4.089 4.571 . 0 0 "[ . 1 . 2]" 2
956 1 60 ALA HA 1 68 SER QB 6.300 . 6.300 5.067 4.538 5.683 . 0 0 "[ . 1 . 2]" 2
957 1 60 ALA HA 1 69 TYR HA 4.660 . 4.660 2.201 1.854 2.361 . 0 0 "[ . 1 . 2]" 2
958 1 68 SER H 1 69 TYR HA 6.300 . 6.300 5.090 4.873 5.257 . 0 0 "[ . 1 . 2]" 2
959 1 61 ILE H 1 69 TYR HA 6.300 . 6.300 3.568 2.999 3.853 . 0 0 "[ . 1 . 2]" 2
960 1 69 TYR H 1 70 THR HA 5.780 . 5.780 5.303 4.942 5.500 . 0 0 "[ . 1 . 2]" 2
961 1 71 ILE HA 1 72 ALA MB 5.400 . 5.400 4.115 4.044 4.182 . 0 0 "[ . 1 . 2]" 2
962 1 71 ILE MD 1 90 ALA HA 5.920 . 5.920 3.840 3.189 4.477 . 0 0 "[ . 1 . 2]" 2
963 1 58 PHE HA 1 71 ILE MD 6.250 . 6.250 3.995 3.448 4.766 . 0 0 "[ . 1 . 2]" 2
964 1 58 PHE QE 1 71 ILE MD 5.900 . 5.900 3.628 2.343 4.111 . 0 0 "[ . 1 . 2]" 2
965 1 72 ALA MB 1 88 TYR H 6.240 . 6.240 4.377 3.959 4.875 . 0 0 "[ . 1 . 2]" 2
966 1 72 ALA MB 1 85 TYR HB2 6.050 . 6.050 2.884 2.430 3.266 . 0 0 "[ . 1 . 2]" 2
967 1 74 TYR HA 1 85 TYR H 6.300 . 6.300 4.675 4.450 4.951 . 0 0 "[ . 1 . 2]" 2
968 1 54 GLY H 1 74 TYR HA 6.000 . 6.000 5.297 5.171 5.441 . 0 0 "[ . 1 . 2]" 2
969 1 76 GLN HB3 1 84 GLU H 6.300 . 6.300 4.931 4.252 5.382 . 0 0 "[ . 1 . 2]" 2
970 1 77 VAL HA 1 78 ASP HB3 6.300 . 6.300 4.721 4.468 5.711 . 0 0 "[ . 1 . 2]" 2
971 1 79 ALA MB 1 80 PRO HA 5.580 . 5.580 4.471 4.373 4.687 . 0 0 "[ . 1 . 2]" 2
972 1 24 PHE QD 1 80 PRO HA 6.230 . 6.230 2.914 2.568 3.277 . 0 0 "[ . 1 . 2]" 2
973 1 20 ILE HA 1 80 PRO HB2 6.280 . 6.280 5.445 4.624 6.166 . 0 0 "[ . 1 . 2]" 2
974 1 79 ALA HA 1 80 PRO HB2 . . 5.870 5.661 5.208 5.960 0.090 14 0 "[ . 1 . 2]" 2
975 1 24 PHE HB2 1 80 PRO HB2 6.300 . 6.300 3.781 2.989 4.481 . 0 0 "[ . 1 . 2]" 2
976 1 20 ILE MG 1 80 PRO HB2 5.710 . 5.710 2.838 2.064 3.794 . 0 0 "[ . 1 . 2]" 2
977 1 24 PHE QD 1 80 PRO HD2 6.300 . 6.300 5.802 4.702 6.178 . 0 0 "[ . 1 . 2]" 2
978 1 79 ALA HA 1 80 PRO HD2 6.290 . 6.290 2.903 2.529 3.334 . 0 0 "[ . 1 . 2]" 2
979 1 82 TYR HA 1 83 ILE HB 6.300 . 6.300 4.808 4.606 4.966 . 0 0 "[ . 1 . 2]" 2
980 1 78 ASP H 1 83 ILE HA 5.880 . 5.880 3.539 3.281 3.962 . 0 0 "[ . 1 . 2]" 2
981 1 77 VAL MG2 1 83 ILE HA 6.250 . 6.250 3.046 2.385 3.701 . 0 0 "[ . 1 . 2]" 2
982 1 84 GLU HA 1 106 THR HB 6.300 . 6.300 4.241 3.975 5.013 . 0 0 "[ . 1 . 2]" 2
983 1 74 TYR QD 1 85 TYR HB2 5.620 . 5.620 3.830 3.031 4.078 . 0 0 "[ . 1 . 2]" 2
984 1 86 LEU HB2 1 88 TYR QE . . 4.650 2.394 2.071 2.989 . 0 0 "[ . 1 . 2]" 2
985 1 86 LEU HB3 1 88 TYR QD 5.940 . 5.940 3.346 2.599 4.239 . 0 0 "[ . 1 . 2]" 2
986 1 73 GLU H 1 86 LEU HB3 6.300 . 6.300 4.444 4.168 4.755 . 0 0 "[ . 1 . 2]" 2
987 1 90 ALA MB 1 92 SER HA 6.300 . 6.300 4.581 3.339 5.820 . 0 0 "[ . 1 . 2]" 2
988 1 95 GLU HB3 1 96 LYS H 5.350 . 5.350 3.094 2.154 3.797 . 0 0 "[ . 1 . 2]" 2
989 1 95 GLU HG2 1 96 LYS H 6.300 . 6.300 4.248 1.609 4.687 . 0 0 "[ . 1 . 2]" 2
990 1 99 SER H 1 100 MET HA 6.300 . 6.300 5.158 4.350 5.447 . 0 0 "[ . 1 . 2]" 2
991 1 89 PHE QD 1 100 MET HB2 5.950 . 5.950 5.416 2.474 6.182 0.232 3 0 "[ . 1 . 2]" 2
992 1 89 PHE QD 1 100 MET HB3 6.220 . 6.220 4.834 2.314 5.974 . 0 0 "[ . 1 . 2]" 2
993 1 100 MET HA 1 101 PRO HA 6.300 . 6.300 4.538 4.450 4.604 . 0 0 "[ . 1 . 2]" 2
994 1 101 PRO HA 1 102 GLY HA2 6.140 . 6.140 4.433 4.366 4.498 . 0 0 "[ . 1 . 2]" 2
995 1 101 PRO HA 1 102 GLY HA3 6.300 . 6.300 4.617 4.436 4.841 . 0 0 "[ . 1 . 2]" 2
996 1 88 TYR HA 1 102 GLY HA3 6.090 . 6.090 5.037 4.091 6.094 0.004 3 0 "[ . 1 . 2]" 2
997 1 88 TYR QE 1 102 GLY HA3 6.300 . 6.300 3.287 2.871 3.597 . 0 0 "[ . 1 . 2]" 2
998 1 105 ILE HG12 1 122 SER HB2 6.300 . 6.300 5.276 4.251 5.670 . 0 0 "[ . 1 . 2]" 2
999 1 82 TYR QD 1 106 THR HB 6.300 . 6.300 4.541 3.709 6.281 . 0 0 "[ . 1 . 2]" 2
1000 1 106 THR HB 1 121 THR HB 5.630 . 5.630 4.030 2.339 4.329 . 0 0 "[ . 1 . 2]" 2
1001 1 83 ILE H 1 107 LEU HB2 6.300 . 6.300 3.438 3.109 3.908 . 0 0 "[ . 1 . 2]" 2
1002 1 116 THR HA 1 117 THR HA 5.740 . 5.740 4.502 4.449 4.541 . 0 0 "[ . 1 . 2]" 2
1003 1 20 ILE HB 1 116 THR HA 6.300 . 6.300 4.348 3.434 5.247 . 0 0 "[ . 1 . 2]" 2
1004 1 20 ILE MD 1 116 THR HA 5.920 . 5.920 4.206 3.356 4.890 . 0 0 "[ . 1 . 2]" 2
1005 1 16 PHE QD 1 116 THR MG 6.110 . 6.110 3.642 2.366 5.316 . 0 0 "[ . 1 . 2]" 2
1006 1 20 ILE QG 1 116 THR MG 5.450 . 5.450 3.026 1.976 3.841 . 0 0 "[ . 1 . 2]" 2
1007 1 16 PHE H 1 117 THR HA 5.580 . 5.580 3.506 3.069 3.951 . 0 0 "[ . 1 . 2]" 2
1008 1 116 THR HA 1 117 THR HB 5.810 . 5.810 4.726 4.533 4.858 . 0 0 "[ . 1 . 2]" 2
1009 1 11 ILE HB 1 121 THR HA 6.300 . 6.300 4.963 4.408 5.700 . 0 0 "[ . 1 . 2]" 2
1010 1 11 ILE MG 1 121 THR HA 5.900 . 5.900 3.281 2.411 3.918 . 0 0 "[ . 1 . 2]" 2
1011 1 10 ILE MG 1 122 SER HB3 6.300 . 6.300 5.135 4.253 5.873 . 0 0 "[ . 1 . 2]" 2
1012 1 124 PHE HA 1 125 PRO HA 6.300 . 6.300 4.419 4.318 4.509 . 0 0 "[ . 1 . 2]" 2
1013 1 133 ALA HA 1 134 ILE H 6.300 . 6.300 3.564 3.538 3.583 . 0 0 "[ . 1 . 2]" 2
1014 1 134 ILE H 1 138 VAL MG1 5.830 . 5.830 3.676 3.221 4.316 . 0 0 "[ . 1 . 2]" 2
1015 1 12 PHE QD 1 139 GLU HA 5.680 . 5.680 3.522 3.036 3.992 . 0 0 "[ . 1 . 2]" 2
1016 1 138 VAL HA 1 139 GLU QB 6.200 . 6.200 5.259 5.060 5.519 . 0 0 "[ . 1 . 2]" 2
1017 1 140 THR HA 1 141 GLY HA2 6.130 . 6.130 4.903 4.845 4.932 . 0 0 "[ . 1 . 2]" 2
1018 1 142 MET HA 1 143 ASN HA 6.300 . 6.300 4.885 4.836 4.957 . 0 0 "[ . 1 . 2]" 2
1019 1 152 LEU MD1 1 153 LEU H 6.300 . 6.300 4.120 3.998 4.181 . 0 0 "[ . 1 . 2]" 2
1020 1 149 LEU MD1 1 152 LEU HG 5.860 . 5.860 3.296 2.986 3.586 . 0 0 "[ . 1 . 2]" 2
1021 1 150 GLU HA 1 154 ASN H 6.300 . 6.300 4.176 3.848 4.483 . 0 0 "[ . 1 . 2]" 2
1022 1 149 LEU HB3 1 153 LEU MD1 5.380 . 5.380 4.251 4.084 4.364 . 0 0 "[ . 1 . 2]" 2
1023 1 145 THR HA 1 148 GLN HG3 5.760 . 5.760 3.295 2.748 5.552 . 0 0 "[ . 1 . 2]" 2
1024 1 145 THR HB 1 146 LEU MD2 6.300 . 6.300 3.824 3.363 4.479 . 0 0 "[ . 1 . 2]" 2
1025 1 36 TRP HZ3 1 145 THR HB 6.300 . 6.300 3.875 3.313 4.563 . 0 0 "[ . 1 . 2]" 2
1026 1 36 TRP HZ3 1 146 LEU HA 6.120 . 6.120 4.312 3.346 4.950 . 0 0 "[ . 1 . 2]" 2
1027 1 146 LEU HA 1 149 LEU HA 5.870 . 5.870 4.683 4.513 4.865 . 0 0 "[ . 1 . 2]" 2
1028 1 146 LEU HA 1 149 LEU HG 6.200 . 6.200 4.564 4.227 4.869 . 0 0 "[ . 1 . 2]" 2
1029 1 3 ILE HA 1 4 GLU HA 6.050 . 6.050 4.421 4.288 4.604 . 0 0 "[ . 1 . 2]" 2
1030 1 4 GLU HA 1 5 LYS HA 5.910 . 5.910 4.489 4.419 4.527 . 0 0 "[ . 1 . 2]" 2
1031 1 4 GLU HA 1 5 LYS HB3 5.720 . 5.720 5.643 4.715 5.823 0.103 5 0 "[ . 1 . 2]" 2
1032 1 4 GLU HG3 1 11 ILE MG 5.620 . 5.620 4.538 3.613 5.632 0.012 13 0 "[ . 1 . 2]" 2
1033 1 7 LYS HB3 1 9 LYS H 6.130 . 6.130 5.048 4.565 5.405 . 0 0 "[ . 1 . 2]" 2
1034 1 7 LYS HB2 1 8 ASN HD21 6.230 . 6.230 6.103 5.760 6.345 0.115 10 0 "[ . 1 . 2]" 2
1035 1 8 ASN HA 1 124 PHE HB3 6.300 . 6.300 4.493 3.725 5.131 . 0 0 "[ . 1 . 2]" 2
1036 1 8 ASN HA 1 124 PHE H 6.300 . 6.300 4.384 3.939 4.685 . 0 0 "[ . 1 . 2]" 2
1037 1 8 ASN HB3 1 126 THR H 6.300 . 6.300 4.013 3.004 4.882 . 0 0 "[ . 1 . 2]" 2
1038 1 8 ASN HB3 1 124 PHE H 6.300 . 6.300 5.469 4.509 5.813 . 0 0 "[ . 1 . 2]" 2
1039 1 8 ASN HB3 1 126 THR HA 6.300 . 6.300 2.620 1.858 3.455 . 0 0 "[ . 1 . 2]" 2
1040 1 9 LYS HA 1 123 THR HA 4.990 . 4.990 2.313 1.983 2.640 . 0 0 "[ . 1 . 2]" 2
1041 1 9 LYS HA 1 123 THR H 6.300 . 6.300 4.669 4.177 4.948 . 0 0 "[ . 1 . 2]" 2
1042 1 9 LYS HB3 1 121 THR MG 6.300 . 6.300 4.693 2.347 5.250 . 0 0 "[ . 1 . 2]" 2
1043 1 9 LYS HG2 1 123 THR HA 5.970 . 5.970 4.187 1.808 5.064 . 0 0 "[ . 1 . 2]" 2
1044 1 9 LYS HG3 1 123 THR HA 6.070 . 6.070 3.072 2.548 3.770 . 0 0 "[ . 1 . 2]" 2
1045 1 9 LYS H 1 9 LYS HG3 5.740 . 5.740 4.676 3.000 4.940 . 0 0 "[ . 1 . 2]" 2
1046 1 9 LYS H 1 9 LYS HD2 6.300 . 6.300 5.255 4.741 5.837 . 0 0 "[ . 1 . 2]" 2
1047 1 10 ILE MG 1 12 PHE HB3 5.780 . 5.780 4.317 3.927 5.004 . 0 0 "[ . 1 . 2]" 2
1048 1 10 ILE MD 1 131 GLN H 6.300 . 6.300 4.714 4.410 4.987 . 0 0 "[ . 1 . 2]" 2
1049 1 10 ILE MD 1 133 ALA HA 6.300 . 6.300 4.720 4.310 5.110 . 0 0 "[ . 1 . 2]" 2
1050 1 5 LYS QE 1 10 ILE MD 6.300 . 6.300 4.561 2.571 5.893 . 0 0 "[ . 1 . 2]" 2
1051 1 4 GLU HB2 1 11 ILE HB 4.430 . 4.430 3.697 3.118 4.396 . 0 0 "[ . 1 . 2]" 2
1052 1 4 GLU HG3 1 11 ILE HB 6.250 . 6.250 3.742 2.970 4.863 . 0 0 "[ . 1 . 2]" 2
1053 1 4 GLU HA 1 11 ILE MD 6.300 . 6.300 4.969 4.348 6.205 . 0 0 "[ . 1 . 2]" 2
1054 1 4 GLU H 1 11 ILE MD 6.300 . 6.300 4.663 3.994 5.401 . 0 0 "[ . 1 . 2]" 2
1055 1 5 LYS HA 1 11 ILE MD 6.000 . 6.000 4.455 2.858 5.768 . 0 0 "[ . 1 . 2]" 2
1056 1 15 THR MG 1 117 THR H 6.260 . 6.260 4.510 4.002 5.154 . 0 0 "[ . 1 . 2]" 2
1057 1 15 THR MG 1 116 THR HA 6.300 . 6.300 4.596 4.268 5.085 . 0 0 "[ . 1 . 2]" 2
1058 1 15 THR MG 1 16 PHE HA 5.720 . 5.720 4.031 3.589 4.409 . 0 0 "[ . 1 . 2]" 2
1059 1 15 THR MG 1 17 SER HA 4.600 . 4.600 4.382 4.197 4.634 0.034 9 0 "[ . 1 . 2]" 2
1060 1 15 THR MG 1 17 SER HB3 6.300 . 6.300 5.549 4.664 6.281 . 0 0 "[ . 1 . 2]" 2
1061 1 15 THR MG 1 16 PHE HB2 . . 5.170 4.872 4.596 5.143 . 0 0 "[ . 1 . 2]" 2
1062 1 16 PHE HB3 1 17 SER H 6.300 . 6.300 3.270 2.800 3.525 . 0 0 "[ . 1 . 2]" 2
1063 1 18 ALA MB 1 153 LEU HB2 6.300 . 6.300 3.008 2.636 3.762 . 0 0 "[ . 1 . 2]" 2
1064 1 18 ALA MB 1 22 LYS HB2 5.350 . 5.350 3.793 2.378 4.866 . 0 0 "[ . 1 . 2]" 2
1065 1 18 ALA MB 1 153 LEU HA 5.640 . 5.640 4.445 3.699 5.089 . 0 0 "[ . 1 . 2]" 2
1066 1 17 SER HB2 1 18 ALA MB 4.970 . 4.970 4.693 4.410 4.983 0.013 15 0 "[ . 1 . 2]" 2
1067 1 18 ALA MB 1 19 PRO HA 5.750 . 5.750 4.436 4.302 4.644 . 0 0 "[ . 1 . 2]" 2
1068 1 20 ILE MD 1 80 PRO HB2 3.570 . 3.570 3.377 2.602 3.722 0.152 13 0 "[ . 1 . 2]" 2
1069 1 20 ILE MD 1 83 ILE MD 4.800 . 4.800 4.506 3.933 4.869 0.069 16 0 "[ . 1 . 2]" 2
1070 1 20 ILE MG 1 21 ASN HB3 6.110 . 6.110 4.637 4.055 4.970 . 0 0 "[ . 1 . 2]" 2
1071 1 20 ILE MD 1 24 PHE HA 6.300 . 6.300 5.001 3.372 5.932 . 0 0 "[ . 1 . 2]" 2
1072 1 20 ILE MD 1 23 VAL HB 4.400 . 4.400 3.547 2.438 4.703 0.303 12 0 "[ . 1 . 2]" 2
1073 1 20 ILE MG 1 21 ASN HD22 6.300 . 6.300 4.875 3.388 6.531 0.231 16 0 "[ . 1 . 2]" 2
1074 1 21 ASN HA 1 24 PHE H 5.590 . 5.590 3.847 3.418 4.550 . 0 0 "[ . 1 . 2]" 2
1075 1 22 LYS HA 1 23 VAL H 5.900 . 5.900 3.503 3.484 3.542 . 0 0 "[ . 1 . 2]" 2
1076 1 22 LYS HA 1 25 ASP H 5.630 . 5.630 3.426 2.876 4.423 . 0 0 "[ . 1 . 2]" 2
1077 1 21 ASN HB2 1 22 LYS HA 6.210 . 6.210 4.867 4.232 5.730 . 0 0 "[ . 1 . 2]" 2
1078 1 19 PRO HG2 1 22 LYS HG2 2.930 . 2.930 2.382 1.627 3.108 0.178 6 0 "[ . 1 . 2]" 2
1079 1 18 ALA MB 1 22 LYS HG2 6.300 . 6.300 3.847 3.166 4.637 . 0 0 "[ . 1 . 2]" 2
1080 1 22 LYS HG2 1 153 LEU MD2 6.300 . 6.300 4.117 3.435 4.681 . 0 0 "[ . 1 . 2]" 2
1081 1 22 LYS HG3 1 153 LEU HA 6.300 . 6.300 5.300 3.996 6.390 0.090 13 0 "[ . 1 . 2]" 2
1082 1 19 PRO HG2 1 22 LYS HG3 2.930 . 2.930 2.568 1.707 3.352 0.422 9 0 "[ . 1 . 2]" 2
1083 1 18 ALA MB 1 22 LYS HG3 4.600 . 4.600 2.966 2.455 3.445 . 0 0 "[ . 1 . 2]" 2
1084 1 23 VAL HB 1 24 PHE HB3 5.220 . 5.220 4.814 4.535 5.106 . 0 0 "[ . 1 . 2]" 2
1085 1 23 VAL HB 1 24 PHE HB2 6.300 . 6.300 4.366 4.128 4.565 . 0 0 "[ . 1 . 2]" 2
1086 1 18 ALA MB 1 23 VAL HB 6.280 . 6.280 4.764 4.413 5.170 . 0 0 "[ . 1 . 2]" 2
1087 1 23 VAL MG2 1 24 PHE HA 6.300 . 6.300 5.573 5.428 5.636 . 0 0 "[ . 1 . 2]" 2
1088 1 22 LYS HB3 1 23 VAL MG2 6.230 . 6.230 4.678 3.551 5.242 . 0 0 "[ . 1 . 2]" 2
1089 1 19 PRO HD2 1 23 VAL MG2 5.530 . 5.530 4.684 4.210 5.366 . 0 0 "[ . 1 . 2]" 2
1090 1 20 ILE QG 1 23 VAL MG2 6.300 . 6.300 4.442 3.595 5.251 . 0 0 "[ . 1 . 2]" 2
1091 1 20 ILE HA 1 24 PHE HB2 5.840 . 5.840 5.113 4.533 5.493 . 0 0 "[ . 1 . 2]" 2
1092 1 25 ASP HB3 1 26 ALA HA 6.300 . 6.300 4.750 4.450 4.868 . 0 0 "[ . 1 . 2]" 2
1093 1 25 ASP HB3 1 28 THR HB 6.300 . 6.300 5.110 3.984 6.297 . 0 0 "[ . 1 . 2]" 2
1094 1 26 ALA HA 1 36 TRP HD1 6.300 . 6.300 4.076 3.707 4.286 . 0 0 "[ . 1 . 2]" 2
1095 1 8 ASN HD21 1 130 ALA MB 6.300 . 6.300 5.146 4.595 5.641 . 0 0 "[ . 1 . 2]" 2
1096 1 27 TYR HA 1 33 PHE HB2 5.700 . 5.700 3.986 2.837 4.405 . 0 0 "[ . 1 . 2]" 2
1097 1 27 TYR HA 1 33 PHE HB3 6.300 . 6.300 5.627 4.535 6.026 . 0 0 "[ . 1 . 2]" 2
1098 1 26 ALA MB 1 27 TYR HA 6.300 . 6.300 4.071 3.934 4.203 . 0 0 "[ . 1 . 2]" 2
1099 1 28 THR MG 1 83 ILE HG12 5.480 . 5.480 4.637 3.103 5.525 0.045 6 0 "[ . 1 . 2]" 2
1100 1 28 THR MG 1 83 ILE MG 6.300 . 6.300 4.285 3.264 4.818 . 0 0 "[ . 1 . 2]" 2
1101 1 30 ARG HA 1 32 LEU MD1 6.110 . 6.110 6.349 6.256 6.438 0.328 20 0 "[ . 1 . 2]" 2
1102 1 29 LYS QB 1 30 ARG HA 5.840 . 5.840 4.632 4.528 4.760 . 0 0 "[ . 1 . 2]" 2
1103 1 30 ARG HA 1 49 PHE HB3 4.970 . 4.970 4.830 4.401 5.082 0.112 20 0 "[ . 1 . 2]" 2
1104 1 30 ARG HA 1 33 PHE HA 5.640 . 5.640 4.689 4.406 5.250 . 0 0 "[ . 1 . 2]" 2
1105 1 30 ARG HA 1 32 LEU H 6.300 . 6.300 3.841 3.585 4.241 . 0 0 "[ . 1 . 2]" 2
1106 1 30 ARG HA 1 34 GLU H 6.300 . 6.300 3.480 3.210 4.016 . 0 0 "[ . 1 . 2]" 2
1107 1 30 ARG HA 1 33 PHE H 5.810 . 5.810 2.983 2.690 3.427 . 0 0 "[ . 1 . 2]" 2
1108 1 30 ARG HA 1 31 GLU H 6.130 . 6.130 3.488 3.440 3.570 . 0 0 "[ . 1 . 2]" 2
1109 1 30 ARG HB2 1 49 PHE HB2 5.080 . 5.080 3.481 2.403 3.920 . 0 0 "[ . 1 . 2]" 2
1110 1 30 ARG HG2 1 31 GLU HA 6.040 . 6.040 5.101 4.103 5.866 . 0 0 "[ . 1 . 2]" 2
1111 1 30 ARG HG2 1 31 GLU QB 6.300 . 6.300 4.960 3.851 5.640 . 0 0 "[ . 1 . 2]" 2
1112 1 30 ARG HG2 1 46 VAL MG1 5.690 . 5.690 3.643 2.763 4.732 . 0 0 "[ . 1 . 2]" 2
1113 1 30 ARG HG3 1 49 PHE HB2 6.300 . 6.300 4.591 3.219 5.148 . 0 0 "[ . 1 . 2]" 2
1114 1 30 ARG HG3 1 31 GLU QB 6.300 . 6.300 4.000 3.088 5.154 . 0 0 "[ . 1 . 2]" 2
1115 1 30 ARG HG3 1 46 VAL MG1 4.890 . 4.890 4.321 3.875 4.871 . 0 0 "[ . 1 . 2]" 2
1116 1 30 ARG HG3 1 31 GLU HA 5.890 . 5.890 3.994 3.039 5.518 . 0 0 "[ . 1 . 2]" 2
1117 1 30 ARG HB3 1 31 GLU HA 5.810 . 5.810 5.713 5.294 5.953 0.143 9 0 "[ . 1 . 2]" 2
1118 1 29 LYS QB 1 31 GLU HA 5.670 . 5.670 5.186 4.834 5.733 0.063 4 0 "[ . 1 . 2]" 2
1119 1 26 ALA MB 1 32 LEU HB3 5.340 . 5.340 3.266 2.792 3.789 . 0 0 "[ . 1 . 2]" 2
1120 1 31 GLU HG2 1 32 LEU HB3 6.300 . 6.300 5.393 4.751 6.395 0.095 20 0 "[ . 1 . 2]" 2
1121 1 32 LEU MD1 1 149 LEU MD2 6.040 . 6.040 6.075 5.562 6.273 0.233 10 0 "[ . 1 . 2]" 2
1122 1 32 LEU MD2 1 33 PHE H 6.040 . 6.040 4.698 4.535 4.835 . 0 0 "[ . 1 . 2]" 2
1123 1 26 ALA HA 1 32 LEU MD2 6.090 . 6.090 4.328 3.958 4.524 . 0 0 "[ . 1 . 2]" 2
1124 1 32 LEU HB2 1 33 PHE HA 6.300 . 6.300 4.145 4.024 4.272 . 0 0 "[ . 1 . 2]" 2
1125 1 31 GLU HA 1 34 GLU HG2 6.010 . 6.010 3.874 2.980 4.971 . 0 0 "[ . 1 . 2]" 2
1126 1 34 GLU HG2 1 35 GLN H 6.300 . 6.300 4.327 3.731 4.779 . 0 0 "[ . 1 . 2]" 2
1127 1 34 GLU HG2 1 35 GLN HG3 5.010 . 5.010 4.768 4.090 5.189 0.179 10 0 "[ . 1 . 2]" 2
1128 1 30 ARG HB2 1 34 GLU HG2 6.300 . 6.300 3.815 2.868 4.721 . 0 0 "[ . 1 . 2]" 2
1129 1 31 GLU HA 1 34 GLU HG3 6.300 . 6.300 3.661 2.761 4.373 . 0 0 "[ . 1 . 2]" 2
1130 1 30 ARG HG2 1 34 GLU HG3 6.300 . 6.300 6.426 5.740 6.676 0.376 8 0 "[ . 1 . 2]" 2
1131 1 32 LEU HA 1 35 GLN HG3 5.800 . 5.800 3.226 2.833 3.617 . 0 0 "[ . 1 . 2]" 2
1132 1 32 LEU HA 1 35 GLN HG2 5.860 . 5.860 4.752 4.456 5.215 . 0 0 "[ . 1 . 2]" 2
1133 1 34 GLU HG3 1 35 GLN HG2 5.540 . 5.540 4.575 3.881 5.657 0.117 3 0 "[ . 1 . 2]" 2
1134 1 36 TRP HA 1 149 LEU HA 5.660 . 5.660 4.175 3.928 4.363 . 0 0 "[ . 1 . 2]" 2
1135 1 17 SER HA 1 115 LYS HB2 6.020 . 6.020 4.631 4.144 5.036 . 0 0 "[ . 1 . 2]" 2
1136 1 36 TRP HA 1 149 LEU HB2 6.300 . 6.300 4.780 4.485 5.219 . 0 0 "[ . 1 . 2]" 2
1137 1 36 TRP HA 1 37 PHE HA 4.860 . 4.860 4.757 4.725 4.783 . 0 0 "[ . 1 . 2]" 2
1138 1 37 PHE HB2 1 38 HIS HA 6.300 . 6.300 6.005 5.949 6.060 . 0 0 "[ . 1 . 2]" 2
1139 1 41 ASP HB2 1 64 PRO HG3 5.780 . 5.780 4.933 3.901 5.876 0.096 7 0 "[ . 1 . 2]" 2
1140 1 41 ASP HB3 1 64 PRO HG3 6.240 . 6.240 4.497 3.378 6.041 . 0 0 "[ . 1 . 2]" 2
1141 1 42 ALA MB 1 43 SER HB2 6.300 . 6.300 5.130 4.579 5.833 . 0 0 "[ . 1 . 2]" 2
1142 1 42 ALA MB 1 64 PRO HD3 6.080 . 6.080 3.271 2.462 3.959 . 0 0 "[ . 1 . 2]" 2
1143 1 42 ALA MB 1 43 SER HA 6.050 . 6.050 4.322 4.070 4.499 . 0 0 "[ . 1 . 2]" 2
1144 1 43 SER HB3 1 62 GLN H 6.300 . 6.300 4.725 3.543 5.684 . 0 0 "[ . 1 . 2]" 2
1145 1 43 SER HB3 1 44 VAL HA 6.300 . 6.300 4.789 4.344 5.800 . 0 0 "[ . 1 . 2]" 2
1146 1 43 SER HB3 1 62 GLN HB3 6.300 . 6.300 3.825 2.034 5.678 . 0 0 "[ . 1 . 2]" 2
1147 1 43 SER HB3 1 62 GLN HB2 6.300 . 6.300 3.954 2.210 5.848 . 0 0 "[ . 1 . 2]" 2
1148 1 42 ALA MB 1 43 SER HB3 6.300 . 6.300 5.251 4.589 5.767 . 0 0 "[ . 1 . 2]" 2
1149 1 38 HIS HD2 1 44 VAL HB . . 5.750 5.022 4.600 5.394 . 0 0 "[ . 1 . 2]" 2
1150 1 44 VAL HB 1 45 THR H 5.500 . 5.500 4.154 4.005 4.427 . 0 0 "[ . 1 . 2]" 2
1151 1 44 VAL HB 1 61 ILE HA 6.300 . 6.300 3.148 2.808 3.452 . 0 0 "[ . 1 . 2]" 2
1152 1 44 VAL MG2 1 46 VAL H 6.030 . 6.030 3.816 3.611 4.146 . 0 0 "[ . 1 . 2]" 2
1153 1 44 VAL MG2 1 61 ILE HA 6.100 . 6.100 3.006 2.652 3.586 . 0 0 "[ . 1 . 2]" 2
1154 1 44 VAL MG2 1 61 ILE HG12 5.660 . 5.660 3.831 3.686 4.089 . 0 0 "[ . 1 . 2]" 2
1155 1 44 VAL MG2 1 60 ALA MB . . 5.020 4.282 4.068 4.556 . 0 0 "[ . 1 . 2]" 2
1156 1 44 VAL HA 1 45 THR HA 6.300 . 6.300 4.504 4.476 4.542 . 0 0 "[ . 1 . 2]" 2
1157 1 44 VAL MG2 1 45 THR HB 5.950 . 5.950 4.672 4.449 5.024 . 0 0 "[ . 1 . 2]" 2
1158 1 45 THR HA 1 46 VAL MG1 6.300 . 6.300 5.597 5.479 5.644 . 0 0 "[ . 1 . 2]" 2
1159 1 46 VAL MG1 1 60 ALA H 6.300 . 6.300 5.168 4.728 5.486 . 0 0 "[ . 1 . 2]" 2
1160 1 46 VAL HA 1 47 TYR HA 6.300 . 6.300 4.486 4.466 4.516 . 0 0 "[ . 1 . 2]" 2
1161 1 46 VAL MG1 1 48 ASP HA 6.300 . 6.300 3.703 3.145 4.004 . 0 0 "[ . 1 . 2]" 2
1162 1 48 ASP HA 1 58 PHE HB3 5.450 . 5.450 4.928 4.616 5.498 0.048 19 0 "[ . 1 . 2]" 2
1163 1 48 ASP HA 1 49 PHE HA 6.300 . 6.300 4.548 4.484 4.590 . 0 0 "[ . 1 . 2]" 2
1164 1 48 ASP HA 1 58 PHE H 6.300 . 6.300 4.625 4.162 5.078 . 0 0 "[ . 1 . 2]" 2
1165 1 49 PHE HB2 1 58 PHE H 6.230 . 6.230 4.954 4.731 5.202 . 0 0 "[ . 1 . 2]" 2
1166 1 29 LYS HA 1 29 LYS QE 5.470 . 5.470 4.427 3.712 5.104 . 0 0 "[ . 1 . 2]" 2
1167 1 30 ARG HB2 1 49 PHE HB3 6.260 . 6.260 4.148 2.838 4.823 . 0 0 "[ . 1 . 2]" 2
1168 1 30 ARG HG3 1 49 PHE HB3 6.300 . 6.300 4.268 2.781 5.113 . 0 0 "[ . 1 . 2]" 2
1169 1 49 PHE HB3 1 50 ASN HA 6.300 . 6.300 4.533 4.395 4.716 . 0 0 "[ . 1 . 2]" 2
1170 1 52 THR MG 1 55 GLY HA3 6.090 . 6.090 2.813 2.195 4.152 . 0 0 "[ . 1 . 2]" 2
1171 1 53 LYS HA 1 75 LEU HA 6.300 . 6.300 4.621 3.778 5.441 . 0 0 "[ . 1 . 2]" 2
1172 1 54 GLY HA2 1 55 GLY HA3 6.300 . 6.300 5.007 4.878 5.123 . 0 0 "[ . 1 . 2]" 2
1173 1 54 GLY HA3 1 55 GLY HA3 6.300 . 6.300 5.243 5.165 5.305 . 0 0 "[ . 1 . 2]" 2
1174 1 52 THR MG 1 54 GLY HA3 6.300 . 6.300 4.612 3.855 6.271 . 0 0 "[ . 1 . 2]" 2
1175 1 51 ALA MB 1 55 GLY HA3 6.300 . 6.300 5.015 4.430 5.500 . 0 0 "[ . 1 . 2]" 2
1176 1 50 ASN HB2 1 55 GLY HA2 6.300 . 6.300 5.108 4.471 5.454 . 0 0 "[ . 1 . 2]" 2
1177 1 56 SER HA 1 57 ALA MB 6.300 . 6.300 3.916 3.808 4.063 . 0 0 "[ . 1 . 2]" 2
1178 1 49 PHE HB2 1 57 ALA HA 5.910 . 5.910 4.433 4.075 4.794 . 0 0 "[ . 1 . 2]" 2
1179 1 46 VAL MG1 1 57 ALA HA 5.470 . 5.470 4.347 3.900 4.889 . 0 0 "[ . 1 . 2]" 2
1180 1 57 ALA MB 1 71 ILE HA 6.300 . 6.300 4.347 4.007 4.812 . 0 0 "[ . 1 . 2]" 2
1181 1 46 VAL MG1 1 58 PHE HB3 5.920 . 5.920 4.867 4.475 5.182 . 0 0 "[ . 1 . 2]" 2
1182 1 46 VAL H 1 59 TYR HA 6.300 . 6.300 4.794 4.539 4.981 . 0 0 "[ . 1 . 2]" 2
1183 1 60 ALA MB 1 61 ILE HA 6.210 . 6.210 4.414 4.292 4.490 . 0 0 "[ . 1 . 2]" 2
1184 1 59 TYR HA 1 60 ALA MB 4.830 . 4.830 3.852 3.767 3.917 . 0 0 "[ . 1 . 2]" 2
1185 1 60 ALA MB 1 61 ILE HB 6.160 . 6.160 4.868 4.703 5.026 . 0 0 "[ . 1 . 2]" 2
1186 1 60 ALA MB 1 61 ILE HG12 6.300 . 6.300 4.959 4.828 5.073 . 0 0 "[ . 1 . 2]" 2
1187 1 45 THR H 1 61 ILE HA 4.470 . 4.470 3.904 3.765 4.032 . 0 0 "[ . 1 . 2]" 2
1188 1 38 HIS HA 1 61 ILE HG12 6.050 . 6.050 5.660 5.220 6.025 . 0 0 "[ . 1 . 2]" 2
1189 1 39 PRO HB3 1 61 ILE MG 6.220 . 6.220 4.436 4.076 4.858 . 0 0 "[ . 1 . 2]" 2
1190 1 37 PHE QE 1 61 ILE MD . . 4.710 2.824 2.023 3.430 . 0 0 "[ . 1 . 2]" 2
1191 1 60 ALA H 1 61 ILE MD 6.300 . 6.300 4.723 4.482 4.885 . 0 0 "[ . 1 . 2]" 2
1192 1 37 PHE HB3 1 61 ILE MD 6.300 . 6.300 4.868 4.294 5.521 . 0 0 "[ . 1 . 2]" 2
1193 1 62 GLN HB3 1 63 ALA HA 6.220 . 6.220 4.902 4.746 5.164 . 0 0 "[ . 1 . 2]" 2
1194 1 62 GLN HB3 1 67 ILE MD 5.880 . 5.880 4.737 3.800 5.591 . 0 0 "[ . 1 . 2]" 2
1195 1 61 ILE HA 1 62 GLN HB2 6.160 . 6.160 4.475 4.264 4.855 . 0 0 "[ . 1 . 2]" 2
1196 1 43 SER HA 1 62 GLN HB2 6.300 . 6.300 5.338 4.498 6.082 . 0 0 "[ . 1 . 2]" 2
1197 1 43 SER HB2 1 62 GLN HB2 5.680 . 5.680 4.009 1.818 5.336 . 0 0 "[ . 1 . 2]" 2
1198 1 62 GLN HB2 1 67 ILE MD 5.180 . 5.180 4.857 3.981 5.307 0.127 20 0 "[ . 1 . 2]" 2
1199 1 44 VAL HA 1 62 GLN HG3 6.300 . 6.300 5.187 4.085 6.009 . 0 0 "[ . 1 . 2]" 2
1200 1 63 ALA MB 1 65 GLN HA 6.300 . 6.300 5.190 4.875 5.661 . 0 0 "[ . 1 . 2]" 2
1201 1 63 ALA HA 1 64 PRO HA 6.300 . 6.300 4.461 4.310 4.520 . 0 0 "[ . 1 . 2]" 2
1202 1 42 ALA HA 1 64 PRO HD3 5.850 . 5.850 3.029 2.214 3.703 . 0 0 "[ . 1 . 2]" 2
1203 1 66 MET ME 1 67 ILE HA 6.280 . 6.280 4.642 3.717 5.496 . 0 0 "[ . 1 . 2]" 2
1204 1 61 ILE HB 1 67 ILE HA 5.760 . 5.760 4.705 4.324 5.422 . 0 0 "[ . 1 . 2]" 2
1205 1 63 ALA H 1 67 ILE MD 5.970 . 5.970 4.733 4.055 5.342 . 0 0 "[ . 1 . 2]" 2
1206 1 67 ILE H 1 68 SER HA 4.740 . 4.740 4.781 4.716 4.852 0.112 10 0 "[ . 1 . 2]" 2
1207 1 68 SER HA 1 69 TYR HB2 6.300 . 6.300 4.627 4.447 4.756 . 0 0 "[ . 1 . 2]" 2
1208 1 70 THR HA 1 90 ALA MB 5.190 . 5.190 2.711 2.508 3.585 . 0 0 "[ . 1 . 2]" 2
1209 1 70 THR MG 1 87 ASP HB2 5.410 . 5.410 4.573 4.305 4.862 . 0 0 "[ . 1 . 2]" 2
1210 1 58 PHE HB2 1 71 ILE MG 6.300 . 6.300 3.321 2.975 3.754 . 0 0 "[ . 1 . 2]" 2
1211 1 71 ILE MG 1 73 GLU HA 6.270 . 6.270 3.823 3.600 4.207 . 0 0 "[ . 1 . 2]" 2
1212 1 57 ALA HA 1 71 ILE MG 6.300 . 6.300 4.345 3.921 5.068 . 0 0 "[ . 1 . 2]" 2
1213 1 56 SER HA 1 71 ILE MG 6.300 . 6.300 3.983 3.506 4.785 . 0 0 "[ . 1 . 2]" 2
1214 1 58 PHE HA 1 71 ILE MG 6.300 . 6.300 3.087 2.627 3.517 . 0 0 "[ . 1 . 2]" 2
1215 1 72 ALA MB 1 73 GLU HA 6.230 . 6.230 4.430 4.346 4.491 . 0 0 "[ . 1 . 2]" 2
1216 1 73 GLU HG2 1 88 TYR HB3 6.150 . 6.150 5.622 4.817 6.284 0.134 6 0 "[ . 1 . 2]" 2
1217 1 72 ALA MB 1 73 GLU HB2 6.300 . 6.300 5.307 5.086 5.450 . 0 0 "[ . 1 . 2]" 2
1218 1 76 GLN HA 1 77 VAL HB 6.050 . 6.050 4.731 4.533 4.962 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 204
_Distance_constraint_stats_list.Viol_count 180
_Distance_constraint_stats_list.Viol_total 347.142
_Distance_constraint_stats_list.Viol_max 0.362
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0964
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.750 0.164 16 0 "[ . 1 . 2]"
1 9 LYS 0.137 0.070 4 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.050 0.050 2 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.266 0.145 18 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.670 0.241 14 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.478 0.241 14 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TRP 0.008 0.008 8 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.797 0.112 10 0 "[ . 1 . 2]"
1 44 VAL 0.797 0.112 10 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PHE 0.046 0.046 14 0 "[ . 1 . 2]"
1 50 ASN 0.046 0.046 14 0 "[ . 1 . 2]"
1 53 LYS 0.223 0.077 16 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 3.117 0.277 9 0 "[ . 1 . 2]"
1 69 TYR 3.117 0.277 9 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.013 0.013 19 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.991 0.158 15 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.223 0.077 16 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.979 0.174 11 0 "[ . 1 . 2]"
1 80 PRO 0.040 0.040 14 0 "[ . 1 . 2]"
1 81 TYR 1.245 0.174 11 0 "[ . 1 . 2]"
1 82 TYR 0.880 0.172 6 0 "[ . 1 . 2]"
1 83 ILE 0.160 0.052 14 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 1.096 0.158 15 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.086 0.086 9 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.086 0.086 9 0 "[ . 1 . 2]"
1 95 GLU 0.019 0.019 20 0 "[ . 1 . 2]"
1 96 LYS 1.130 0.285 1 0 "[ . 1 . 2]"
1 97 ASP 1.098 0.285 1 0 "[ . 1 . 2]"
1 99 SER 0.085 0.059 8 0 "[ . 1 . 2]"
1 100 MET 0.085 0.059 8 0 "[ . 1 . 2]"
1 102 GLY 0.051 0.051 9 0 "[ . 1 . 2]"
1 103 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 HIS 0.054 0.029 8 0 "[ . 1 . 2]"
1 105 ILE 0.350 0.165 13 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.054 0.054 16 0 "[ . 1 . 2]"
1 108 ASN 1.122 0.172 6 0 "[ . 1 . 2]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 THR 0.050 0.050 2 0 "[ . 1 . 2]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 THR 0.296 0.073 8 0 "[ . 1 . 2]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 THR 0.487 0.165 13 0 "[ . 1 . 2]"
1 124 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PRO 1.702 0.164 16 0 "[ . 1 . 2]"
1 126 THR 1.733 0.362 6 0 "[ . 1 . 2]"
1 128 SER 0.313 0.171 9 0 "[ . 1 . 2]"
1 129 ALA 0.781 0.362 6 0 "[ . 1 . 2]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 GLN 0.400 0.171 9 0 "[ . 1 . 2]"
1 132 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 0.051 0.051 16 0 "[ . 1 . 2]"
1 134 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ASP 0.088 0.088 9 0 "[ . 1 . 2]"
1 136 MET 0.051 0.051 16 0 "[ . 1 . 2]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 LEU 0.241 0.078 15 0 "[ . 1 . 2]"
1 151 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 LEU 3.965 0.299 10 0 "[ . 1 . 2]"
1 153 LEU 4.167 0.299 10 0 "[ . 1 . 2]"
1 154 ASN 0.040 0.040 11 0 "[ . 1 . 2]"
1 157 LEU 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 12 PHE QD 1 13 THR MG 6.300 . 6.300 4.818 4.531 5.270 . 0 0 "[ . 1 . 2]" 3
2 1 53 LYS HB3 1 77 VAL MG2 6.300 . 6.300 5.558 4.131 6.377 0.077 16 0 "[ . 1 . 2]" 3
3 1 77 VAL HA 1 78 ASP HB2 6.260 . 6.260 4.479 4.255 4.672 . 0 0 "[ . 1 . 2]" 3
4 1 24 PHE HB2 1 80 PRO HA 6.300 . 6.300 2.715 1.879 3.496 . 0 0 "[ . 1 . 2]" 3
5 1 77 VAL MG2 1 83 ILE HG13 6.300 . 6.300 4.120 3.707 5.804 . 0 0 "[ . 1 . 2]" 3
6 1 83 ILE MG 1 84 GLU HA 5.870 . 5.870 3.387 3.265 3.611 . 0 0 "[ . 1 . 2]" 3
7 1 84 GLU HA 1 106 THR MG . . 4.590 2.746 2.394 3.133 . 0 0 "[ . 1 . 2]" 3
8 1 74 TYR HB2 1 85 TYR HA 6.300 . 6.300 5.351 5.038 5.659 . 0 0 "[ . 1 . 2]" 3
9 1 74 TYR H 1 85 TYR HB2 6.300 . 6.300 4.196 3.938 4.328 . 0 0 "[ . 1 . 2]" 3
10 1 73 GLU H 1 86 LEU MD1 6.300 . 6.300 4.709 4.490 4.923 . 0 0 "[ . 1 . 2]" 3
11 1 86 LEU MD1 1 102 GLY H 6.300 . 6.300 5.150 4.309 6.351 0.051 9 0 "[ . 1 . 2]" 3
12 1 73 GLU HA 1 86 LEU MD1 5.350 . 5.350 5.368 5.134 5.508 0.158 15 0 "[ . 1 . 2]" 3
13 1 73 GLU HB2 1 86 LEU MD1 5.650 . 5.650 2.843 2.568 3.056 . 0 0 "[ . 1 . 2]" 3
14 1 73 GLU HB3 1 86 LEU MD1 5.650 . 5.650 3.530 3.186 3.860 . 0 0 "[ . 1 . 2]" 3
15 1 73 GLU HG2 1 86 LEU MD1 6.300 . 6.300 4.840 4.331 5.614 . 0 0 "[ . 1 . 2]" 3
16 1 86 LEU MD2 1 103 MET HA 6.280 . 6.280 4.825 4.343 5.298 . 0 0 "[ . 1 . 2]" 3
17 1 87 ASP HA 1 88 TYR HA 6.290 . 6.290 4.498 4.474 4.519 . 0 0 "[ . 1 . 2]" 3
18 1 87 ASP HB3 1 103 MET HB2 5.580 . 5.580 3.299 3.216 3.392 . 0 0 "[ . 1 . 2]" 3
19 1 88 TYR HB2 1 96 LYS HA 6.300 . 6.300 4.738 3.940 6.129 . 0 0 "[ . 1 . 2]" 3
20 1 61 ILE HA 1 68 SER H 5.420 . 5.420 4.973 4.576 5.206 . 0 0 "[ . 1 . 2]" 3
21 1 60 ALA H 1 61 ILE HA 5.000 . 5.000 4.790 4.666 4.946 . 0 0 "[ . 1 . 2]" 3
22 1 90 ALA MB 1 94 GLY HA2 5.120 . 5.120 3.690 2.542 4.642 . 0 0 "[ . 1 . 2]" 3
23 1 90 ALA MB 1 94 GLY HA3 6.300 . 6.300 4.994 3.803 5.917 . 0 0 "[ . 1 . 2]" 3
24 1 90 ALA MB 1 91 THR HA 6.120 . 6.120 4.376 4.017 4.572 . 0 0 "[ . 1 . 2]" 3
25 1 89 PHE HA 1 90 ALA MB 5.850 . 5.850 4.026 3.884 4.093 . 0 0 "[ . 1 . 2]" 3
26 1 90 ALA MB 1 94 GLY H 6.300 . 6.300 3.988 2.878 4.869 . 0 0 "[ . 1 . 2]" 3
27 1 91 THR HA 1 92 SER HA 5.410 . 5.410 4.781 4.376 5.293 . 0 0 "[ . 1 . 2]" 3
28 1 90 ALA HA 1 91 THR MG 5.590 . 5.590 3.640 3.117 3.890 . 0 0 "[ . 1 . 2]" 3
29 1 91 THR MG 1 94 GLY HA2 5.790 . 5.790 4.815 3.807 5.876 0.086 9 0 "[ . 1 . 2]" 3
30 1 91 THR MG 1 93 LYS HB2 5.390 . 5.390 2.553 1.966 3.767 . 0 0 "[ . 1 . 2]" 3
31 1 69 TYR HB3 1 92 SER HA 6.300 . 6.300 4.444 3.024 5.585 . 0 0 "[ . 1 . 2]" 3
32 1 93 LYS H 1 94 GLY HA3 6.300 . 6.300 5.382 5.138 5.695 . 0 0 "[ . 1 . 2]" 3
33 1 95 GLU HG2 1 96 LYS HD2 5.320 . 5.320 4.813 3.112 5.339 0.019 20 0 "[ . 1 . 2]" 3
34 1 95 GLU HB3 1 96 LYS HA 6.140 . 6.140 5.409 4.739 6.067 . 0 0 "[ . 1 . 2]" 3
35 1 71 ILE MD 1 96 LYS HD2 5.930 . 5.930 5.308 4.413 5.943 0.013 19 0 "[ . 1 . 2]" 3
36 1 96 LYS HD3 1 97 ASP HA 6.100 . 6.100 5.944 5.203 6.385 0.285 1 0 "[ . 1 . 2]" 3
37 1 96 LYS HA 1 96 LYS HE3 6.300 . 6.300 4.345 4.156 5.605 . 0 0 "[ . 1 . 2]" 3
38 1 99 SER HA 1 100 MET HA 6.300 . 6.300 4.605 4.444 4.762 . 0 0 "[ . 1 . 2]" 3
39 1 89 PHE HB2 1 100 MET HB2 6.300 . 6.300 4.956 2.507 6.077 . 0 0 "[ . 1 . 2]" 3
40 1 89 PHE HB3 1 100 MET HB2 6.000 . 6.000 4.866 2.601 5.539 . 0 0 "[ . 1 . 2]" 3
41 1 99 SER HB3 1 100 MET HB3 6.180 . 6.180 4.866 3.868 6.206 0.026 19 0 "[ . 1 . 2]" 3
42 1 99 SER H 1 100 MET HG3 6.220 . 6.220 5.432 4.671 6.279 0.059 8 0 "[ . 1 . 2]" 3
43 1 88 TYR HA 1 102 GLY HA2 6.300 . 6.300 3.444 2.575 4.403 . 0 0 "[ . 1 . 2]" 3
44 1 102 GLY HA3 1 103 MET HB2 6.300 . 6.300 5.825 5.644 5.949 . 0 0 "[ . 1 . 2]" 3
45 1 102 GLY HA3 1 103 MET HB3 6.300 . 6.300 5.544 5.380 5.668 . 0 0 "[ . 1 . 2]" 3
46 1 103 MET HB2 1 103 MET ME 5.030 . 5.030 4.088 3.990 4.154 . 0 0 "[ . 1 . 2]" 3
47 1 103 MET ME 1 105 ILE HA 6.210 . 6.210 4.340 3.678 5.238 . 0 0 "[ . 1 . 2]" 3
48 1 87 ASP HB2 1 103 MET ME 6.180 . 6.180 4.936 3.934 5.410 . 0 0 "[ . 1 . 2]" 3
49 1 103 MET ME 1 105 ILE HB 5.800 . 5.800 5.052 4.706 5.667 . 0 0 "[ . 1 . 2]" 3
50 1 105 ILE HG12 1 122 SER HA . . 5.940 4.404 3.603 5.066 . 0 0 "[ . 1 . 2]" 3
51 1 105 ILE HG12 1 123 THR H 6.300 . 6.300 5.931 4.939 6.465 0.165 13 0 "[ . 1 . 2]" 3
52 1 105 ILE HG13 1 122 SER HA 5.580 . 5.580 2.708 1.963 3.344 . 0 0 "[ . 1 . 2]" 3
53 1 103 MET HA 1 105 ILE MD 6.300 . 6.300 4.315 4.096 4.731 . 0 0 "[ . 1 . 2]" 3
54 1 87 ASP HA 1 105 ILE MD 6.250 . 6.250 4.753 4.416 5.293 . 0 0 "[ . 1 . 2]" 3
55 1 105 ILE MG 1 106 THR MG 6.300 . 6.300 4.369 4.144 4.770 . 0 0 "[ . 1 . 2]" 3
56 1 107 LEU HB3 1 119 THR HA 6.300 . 6.300 5.610 5.190 6.354 0.054 16 0 "[ . 1 . 2]" 3
57 1 107 LEU HA 1 108 ASN HB3 6.300 . 6.300 5.364 4.442 5.758 . 0 0 "[ . 1 . 2]" 3
58 1 108 ASN HB3 1 119 THR MG 5.830 . 5.830 5.257 3.725 5.903 0.073 8 0 "[ . 1 . 2]" 3
59 1 115 LYS HA 1 116 THR MG 6.280 . 6.280 5.072 3.375 5.600 . 0 0 "[ . 1 . 2]" 3
60 1 16 PHE HB3 1 116 THR HB 6.300 . 6.300 4.789 3.828 6.350 0.050 2 0 "[ . 1 . 2]" 3
61 1 116 THR HB 1 117 THR H 6.300 . 6.300 3.877 2.737 4.309 . 0 0 "[ . 1 . 2]" 3
62 1 118 VAL HA 1 119 THR HB 6.170 . 6.170 4.496 4.298 4.598 . 0 0 "[ . 1 . 2]" 3
63 1 119 THR HB 1 120 SER H 6.300 . 6.300 4.438 4.362 4.500 . 0 0 "[ . 1 . 2]" 3
64 1 119 THR MG 1 120 SER HA 6.300 . 6.300 4.168 3.844 4.370 . 0 0 "[ . 1 . 2]" 3
65 1 120 SER HA 1 121 THR HB 6.300 . 6.300 4.687 4.548 4.810 . 0 0 "[ . 1 . 2]" 3
66 1 107 LEU HG 1 120 SER HA 6.300 . 6.300 2.831 2.377 4.612 . 0 0 "[ . 1 . 2]" 3
67 1 119 THR HA 1 120 SER HB3 6.300 . 6.300 4.619 4.448 4.771 . 0 0 "[ . 1 . 2]" 3
68 1 119 THR HA 1 120 SER HB2 6.300 . 6.300 5.799 5.709 5.851 . 0 0 "[ . 1 . 2]" 3
69 1 119 THR MG 1 120 SER HB2 6.300 . 6.300 5.589 5.354 5.825 . 0 0 "[ . 1 . 2]" 3
70 1 121 THR HA 1 122 SER HB2 6.010 . 6.010 4.815 4.491 5.798 . 0 0 "[ . 1 . 2]" 3
71 1 9 LYS HA 1 121 THR MG 6.300 . 6.300 5.029 4.194 5.470 . 0 0 "[ . 1 . 2]" 3
72 1 122 SER HA 1 123 THR HB 6.300 . 6.300 5.013 4.671 5.883 . 0 0 "[ . 1 . 2]" 3
73 1 9 LYS HB3 1 123 THR HA 6.300 . 6.300 4.417 3.865 4.820 . 0 0 "[ . 1 . 2]" 3
74 1 8 ASN HB2 1 123 THR MG 6.300 . 6.300 4.400 3.791 5.741 . 0 0 "[ . 1 . 2]" 3
75 1 9 LYS HG2 1 123 THR MG 5.510 . 5.510 4.798 2.618 5.580 0.070 4 0 "[ . 1 . 2]" 3
76 1 8 ASN HB2 1 125 PRO HD2 5.270 . 5.270 5.185 4.840 5.434 0.164 16 0 "[ . 1 . 2]" 3
77 1 126 THR HA 1 126 THR MG 3.610 . 3.610 2.991 2.395 3.289 . 0 0 "[ . 1 . 2]" 3
78 1 125 PRO HA 1 126 THR MG 6.300 . 6.300 3.864 2.919 4.395 . 0 0 "[ . 1 . 2]" 3
79 1 125 PRO HB3 1 126 THR MG 4.700 . 4.700 4.371 3.434 4.842 0.142 6 0 "[ . 1 . 2]" 3
80 1 126 THR MG 1 129 ALA MB . . 4.710 4.361 3.402 5.072 0.362 6 0 "[ . 1 . 2]" 3
81 1 128 SER HA 1 129 ALA H 6.300 . 6.300 3.058 2.770 3.570 . 0 0 "[ . 1 . 2]" 3
82 1 128 SER HB3 1 131 GLN HG2 5.810 . 5.810 3.991 3.070 5.981 0.171 9 0 "[ . 1 . 2]" 3
83 1 126 THR HA 1 129 ALA MB 4.630 . 4.630 4.393 4.034 4.658 0.028 5 0 "[ . 1 . 2]" 3
84 1 131 GLN HA 1 132 GLN HA 6.300 . 6.300 4.858 4.786 4.911 . 0 0 "[ . 1 . 2]" 3
85 1 133 ALA HA 1 138 VAL MG1 5.800 . 5.800 4.034 3.038 4.908 . 0 0 "[ . 1 . 2]" 3
86 1 133 ALA HA 1 137 GLY H 6.300 . 6.300 4.494 4.070 4.784 . 0 0 "[ . 1 . 2]" 3
87 1 133 ALA MB 1 134 ILE MD 4.980 . 4.980 3.942 3.149 4.814 . 0 0 "[ . 1 . 2]" 3
88 1 131 GLN HG3 1 134 ILE MG 6.210 . 6.210 5.321 4.941 5.611 . 0 0 "[ . 1 . 2]" 3
89 1 131 GLN HE21 1 135 ASP HA 6.300 . 6.300 4.807 4.334 6.388 0.088 9 0 "[ . 1 . 2]" 3
90 1 134 ILE HB 1 135 ASP HA 5.260 . 5.260 4.394 4.185 4.597 . 0 0 "[ . 1 . 2]" 3
91 1 135 ASP HB3 1 136 MET HA 5.730 . 5.730 4.698 4.466 4.886 . 0 0 "[ . 1 . 2]" 3
92 1 135 ASP HB2 1 136 MET HA 5.830 . 5.830 4.601 4.345 4.768 . 0 0 "[ . 1 . 2]" 3
93 1 135 ASP H 1 136 MET HB3 5.840 . 5.840 4.930 4.831 5.183 . 0 0 "[ . 1 . 2]" 3
94 1 133 ALA MB 1 136 MET HG2 6.300 . 6.300 5.025 3.639 6.351 0.051 16 0 "[ . 1 . 2]" 3
95 1 136 MET HA 1 136 MET ME 6.110 . 6.110 3.526 2.891 4.546 . 0 0 "[ . 1 . 2]" 3
96 1 136 MET H 1 136 MET ME 6.300 . 6.300 3.986 3.482 4.205 . 0 0 "[ . 1 . 2]" 3
97 1 133 ALA MB 1 138 VAL HA 6.300 . 6.300 4.559 3.830 5.388 . 0 0 "[ . 1 . 2]" 3
98 1 138 VAL MG2 1 142 MET H 6.300 . 6.300 3.519 3.208 3.807 . 0 0 "[ . 1 . 2]" 3
99 1 138 VAL MG2 1 139 GLU HA 5.330 . 5.330 4.233 3.709 4.573 . 0 0 "[ . 1 . 2]" 3
100 1 140 THR MG 1 143 ASN HB3 6.130 . 6.130 4.164 3.123 6.016 . 0 0 "[ . 1 . 2]" 3
101 1 138 VAL MG2 1 141 GLY HA2 6.300 . 6.300 5.538 4.885 6.143 . 0 0 "[ . 1 . 2]" 3
102 1 143 ASN HA 1 146 LEU HG 5.930 . 5.930 3.816 3.103 4.464 . 0 0 "[ . 1 . 2]" 3
103 1 143 ASN HB2 1 144 SER HA 6.300 . 6.300 5.437 4.306 5.794 . 0 0 "[ . 1 . 2]" 3
104 1 140 THR MG 1 144 SER HB2 6.300 . 6.300 4.246 3.057 6.012 . 0 0 "[ . 1 . 2]" 3
105 1 145 THR HA 1 148 GLN HB3 6.300 . 6.300 4.680 4.229 5.770 . 0 0 "[ . 1 . 2]" 3
106 1 36 TRP HH2 1 145 THR MG 5.550 . 5.550 4.430 4.123 4.757 . 0 0 "[ . 1 . 2]" 3
107 1 146 LEU MD2 1 149 LEU HB2 5.100 . 5.100 3.098 2.865 3.404 . 0 0 "[ . 1 . 2]" 3
108 1 145 THR HA 1 147 ASN HB2 6.300 . 6.300 5.291 4.720 6.283 . 0 0 "[ . 1 . 2]" 3
109 1 148 GLN HA 1 151 LYS HG3 6.010 . 6.010 4.076 2.306 5.805 . 0 0 "[ . 1 . 2]" 3
110 1 148 GLN HA 1 149 LEU HA 6.300 . 6.300 4.864 4.812 4.914 . 0 0 "[ . 1 . 2]" 3
111 1 149 LEU HB2 1 153 LEU MD1 . . 4.740 4.728 4.644 4.818 0.078 15 0 "[ . 1 . 2]" 3
112 1 152 LEU HA 1 154 ASN HB2 6.300 . 6.300 5.833 5.368 6.340 0.040 11 0 "[ . 1 . 2]" 3
113 1 152 LEU HA 1 154 ASN H 5.960 . 5.960 4.622 4.342 5.066 . 0 0 "[ . 1 . 2]" 3
114 1 152 LEU MD1 1 153 LEU MD1 5.160 . 5.160 5.356 5.254 5.459 0.299 10 0 "[ . 1 . 2]" 3
115 1 152 LEU MD2 1 153 LEU MD1 5.580 . 5.580 3.979 3.737 4.360 . 0 0 "[ . 1 . 2]" 3
116 1 149 LEU HG 1 152 LEU MD2 6.300 . 6.300 4.219 4.087 4.362 . 0 0 "[ . 1 . 2]" 3
117 1 152 LEU HG 1 153 LEU HA 5.970 . 5.970 3.213 2.983 3.395 . 0 0 "[ . 1 . 2]" 3
118 1 153 LEU HA 1 154 ASN HA 4.990 . 4.990 4.768 4.720 4.829 . 0 0 "[ . 1 . 2]" 3
119 1 154 ASN H 1 157 LEU MD1 6.300 . 6.300 4.483 3.757 5.106 . 0 0 "[ . 1 . 2]" 3
120 1 11 ILE HA 1 119 THR MG 6.020 . 6.020 3.835 3.445 4.262 . 0 0 "[ . 1 . 2]" 3
121 1 13 THR HA 1 119 THR MG 6.280 . 6.280 3.354 2.538 4.177 . 0 0 "[ . 1 . 2]" 3
122 1 107 LEU HA 1 121 THR HB 6.300 . 6.300 4.903 4.533 5.524 . 0 0 "[ . 1 . 2]" 3
123 1 118 VAL MG2 1 119 THR HA 6.300 . 6.300 5.495 4.115 5.810 . 0 0 "[ . 1 . 2]" 3
124 1 11 ILE HB 1 119 THR MG 6.300 . 6.300 4.347 4.133 4.530 . 0 0 "[ . 1 . 2]" 3
125 1 13 THR HB 1 119 THR MG 6.300 . 6.300 2.664 2.048 3.575 . 0 0 "[ . 1 . 2]" 3
126 1 11 ILE MG 1 119 THR HA 5.900 . 5.900 4.465 3.817 4.722 . 0 0 "[ . 1 . 2]" 3
127 1 3 ILE HB 1 12 PHE QD 4.590 . 4.590 4.012 3.126 4.559 . 0 0 "[ . 1 . 2]" 3
128 1 16 PHE QD 1 23 VAL MG1 4.420 . 4.420 2.915 2.319 3.527 . 0 0 "[ . 1 . 2]" 3
129 1 14 ARG HG3 1 16 PHE QE 6.060 . 6.060 3.696 2.454 5.494 . 0 0 "[ . 1 . 2]" 3
130 1 16 PHE QD 1 18 ALA MB 6.100 . 6.100 4.584 4.149 5.128 . 0 0 "[ . 1 . 2]" 3
131 1 16 PHE QD 1 23 VAL MG2 5.220 . 5.220 3.360 2.774 4.034 . 0 0 "[ . 1 . 2]" 3
132 1 81 TYR HA 1 109 PHE QD 6.170 . 6.170 3.590 2.061 4.243 . 0 0 "[ . 1 . 2]" 3
133 1 24 PHE QE 1 80 PRO HD3 5.200 . 5.200 4.700 3.549 5.240 0.040 14 0 "[ . 1 . 2]" 3
134 1 24 PHE QE 1 83 ILE HG13 4.320 . 4.320 2.116 1.747 2.989 . 0 0 "[ . 1 . 2]" 3
135 1 24 PHE QD 1 27 TYR H 5.250 . 5.250 5.144 4.802 5.491 0.241 14 0 "[ . 1 . 2]" 3
136 1 24 PHE QD 1 25 ASP HB2 6.210 . 6.210 5.183 4.736 5.815 . 0 0 "[ . 1 . 2]" 3
137 1 24 PHE QD 1 80 PRO HB3 5.620 . 5.620 3.580 3.161 4.404 . 0 0 "[ . 1 . 2]" 3
138 1 24 PHE QD 1 83 ILE HB 5.370 . 5.370 5.211 4.928 5.422 0.052 14 0 "[ . 1 . 2]" 3
139 1 27 TYR H 1 36 TRP HZ2 5.430 . 5.430 5.182 4.843 5.438 0.008 8 0 "[ . 1 . 2]" 3
140 1 26 ALA MB 1 36 TRP HZ2 5.280 . 5.280 3.961 3.292 4.614 . 0 0 "[ . 1 . 2]" 3
141 1 36 TRP HZ2 1 145 THR MG 6.090 . 6.090 5.639 5.390 5.887 . 0 0 "[ . 1 . 2]" 3
142 1 35 GLN HB2 1 36 TRP HD1 5.910 . 5.910 3.804 3.515 4.095 . 0 0 "[ . 1 . 2]" 3
143 1 36 TRP HD1 1 149 LEU MD1 5.760 . 5.760 2.872 2.588 3.220 . 0 0 "[ . 1 . 2]" 3
144 1 36 TRP HH2 1 146 LEU MD2 5.060 . 5.060 3.534 3.047 4.088 . 0 0 "[ . 1 . 2]" 3
145 1 36 TRP HH2 1 149 LEU MD2 5.430 . 5.430 4.188 3.721 4.612 . 0 0 "[ . 1 . 2]" 3
146 1 37 PHE QE 1 59 TYR QD 4.780 . 4.780 3.844 3.157 4.347 . 0 0 "[ . 1 . 2]" 3
147 1 37 PHE QE 1 145 THR MG 5.090 . 5.090 4.248 3.523 4.762 . 0 0 "[ . 1 . 2]" 3
148 1 37 PHE QD 1 44 VAL MG2 4.480 . 4.480 2.818 2.411 3.297 . 0 0 "[ . 1 . 2]" 3
149 1 37 PHE QD 1 44 VAL MG1 6.290 . 6.290 3.632 3.025 3.971 . 0 0 "[ . 1 . 2]" 3
150 1 36 TRP HA 1 38 HIS HD2 4.480 . 4.480 3.620 3.198 4.468 . 0 0 "[ . 1 . 2]" 3
151 1 38 HIS HD2 1 44 VAL MG2 5.470 . 5.470 5.417 4.961 5.582 0.112 10 0 "[ . 1 . 2]" 3
152 1 47 TYR QE 1 69 TYR QD 4.510 . 4.510 3.402 2.440 4.265 . 0 0 "[ . 1 . 2]" 3
153 1 47 TYR QE 1 59 TYR HA 5.450 . 5.450 3.769 2.964 4.565 . 0 0 "[ . 1 . 2]" 3
154 1 47 TYR HA 1 47 TYR QE 5.710 . 5.710 4.722 4.553 4.831 . 0 0 "[ . 1 . 2]" 3
155 1 45 THR HB 1 47 TYR QE 5.610 . 5.610 3.628 2.826 5.225 . 0 0 "[ . 1 . 2]" 3
156 1 47 TYR QD 1 59 TYR H 6.290 . 6.290 4.341 3.505 5.048 . 0 0 "[ . 1 . 2]" 3
157 1 47 TYR QD 1 58 PHE QD 5.400 . 5.400 3.364 2.258 3.979 . 0 0 "[ . 1 . 2]" 3
158 1 47 TYR QD 1 59 TYR QB 6.020 . 6.020 4.279 3.659 4.908 . 0 0 "[ . 1 . 2]" 3
159 1 49 PHE QE 1 50 ASN HA 5.150 . 5.150 4.886 4.563 5.196 0.046 14 0 "[ . 1 . 2]" 3
160 1 30 ARG HB2 1 49 PHE QE 6.100 . 6.100 4.482 4.074 4.847 . 0 0 "[ . 1 . 2]" 3
161 1 30 ARG HB2 1 49 PHE QD 5.350 . 5.350 3.274 2.721 3.823 . 0 0 "[ . 1 . 2]" 3
162 1 30 ARG HB3 1 49 PHE QD 6.130 . 6.130 2.641 1.711 3.430 . 0 0 "[ . 1 . 2]" 3
163 1 46 VAL MG1 1 49 PHE QD 4.610 . 4.610 1.912 1.617 2.534 . 0 0 "[ . 1 . 2]" 3
164 1 58 PHE QE 1 94 GLY H 6.070 . 6.070 4.426 3.326 5.784 . 0 0 "[ . 1 . 2]" 3
165 1 58 PHE QE 1 69 TYR HB3 4.840 . 4.840 2.216 1.761 4.120 . 0 0 "[ . 1 . 2]" 3
166 1 58 PHE QE 1 92 SER HA 6.290 . 6.290 5.008 3.438 6.186 . 0 0 "[ . 1 . 2]" 3
167 1 58 PHE QD 1 71 ILE HA 5.900 . 5.900 3.659 2.866 4.287 . 0 0 "[ . 1 . 2]" 3
168 1 59 TYR QE 1 70 THR HB 5.270 . 5.270 2.743 2.380 3.060 . 0 0 "[ . 1 . 2]" 3
169 1 59 TYR QE 1 61 ILE HG12 5.000 . 5.000 3.780 3.411 4.190 . 0 0 "[ . 1 . 2]" 3
170 1 57 ALA MB 1 59 TYR QE 4.440 . 4.440 3.289 2.320 3.999 . 0 0 "[ . 1 . 2]" 3
171 1 59 TYR QE 1 61 ILE MD 4.330 . 4.330 3.214 2.739 3.937 . 0 0 "[ . 1 . 2]" 3
172 1 44 VAL MG2 1 59 TYR QE 4.920 . 4.920 3.856 3.551 4.471 . 0 0 "[ . 1 . 2]" 3
173 1 46 VAL HA 1 59 TYR QD 6.300 . 6.300 4.362 4.043 4.623 . 0 0 "[ . 1 . 2]" 3
174 1 57 ALA MB 1 59 TYR QD 4.510 . 4.510 2.934 2.582 3.371 . 0 0 "[ . 1 . 2]" 3
175 1 47 TYR QE 1 69 TYR QE 4.650 . 4.650 3.506 2.673 4.347 . 0 0 "[ . 1 . 2]" 3
176 1 68 SER HA 1 69 TYR QE 3.930 . 3.930 4.086 4.015 4.207 0.277 9 0 "[ . 1 . 2]" 3
177 1 68 SER HA 1 69 TYR QD 6.120 . 6.120 3.084 2.689 3.559 . 0 0 "[ . 1 . 2]" 3
178 1 60 ALA MB 1 69 TYR QD 4.450 . 4.450 2.446 1.977 2.773 . 0 0 "[ . 1 . 2]" 3
179 1 73 GLU HA 1 74 TYR QE 5.430 . 5.430 5.045 4.649 5.424 . 0 0 "[ . 1 . 2]" 3
180 1 72 ALA MB 1 74 TYR QE 4.740 . 4.740 2.850 2.308 3.244 . 0 0 "[ . 1 . 2]" 3
181 1 74 TYR QD 1 83 ILE MG 4.690 . 4.690 2.855 2.435 3.631 . 0 0 "[ . 1 . 2]" 3
182 1 88 TYR QE 1 102 GLY HA2 5.040 . 5.040 3.563 2.840 4.035 . 0 0 "[ . 1 . 2]" 3
183 1 82 TYR QE 1 108 ASN HB2 5.270 . 5.270 4.846 2.660 5.442 0.172 6 0 "[ . 1 . 2]" 3
184 1 86 LEU MD2 1 88 TYR QE 4.570 . 4.570 3.867 3.115 4.463 . 0 0 "[ . 1 . 2]" 3
185 1 79 ALA HA 1 81 TYR QD 4.400 . 4.400 4.390 4.117 4.574 0.174 11 0 "[ . 1 . 2]" 3
186 1 20 ILE MG 1 81 TYR QD 5.470 . 5.470 4.691 3.389 5.615 0.145 18 0 "[ . 1 . 2]" 3
187 1 83 ILE HB 1 85 TYR QE 5.680 . 5.680 4.555 3.937 4.969 . 0 0 "[ . 1 . 2]" 3
188 1 72 ALA MB 1 85 TYR QE 4.820 . 4.820 3.301 2.931 3.685 . 0 0 "[ . 1 . 2]" 3
189 1 73 GLU HA 1 85 TYR QD 6.300 . 6.300 5.996 5.691 6.223 . 0 0 "[ . 1 . 2]" 3
190 1 85 TYR QD 1 107 LEU HG 6.170 . 6.170 5.533 4.748 6.028 . 0 0 "[ . 1 . 2]" 3
191 1 85 TYR QD 1 105 ILE HB 6.300 . 6.300 3.683 3.406 3.806 . 0 0 "[ . 1 . 2]" 3
192 1 88 TYR QD 1 96 LYS HG3 4.550 . 4.550 3.560 2.448 4.455 . 0 0 "[ . 1 . 2]" 3
193 1 89 PHE QD 1 97 ASP HB3 5.840 . 5.840 3.043 1.892 5.026 . 0 0 "[ . 1 . 2]" 3
194 1 104 HIS HA 1 104 HIS HD2 5.180 . 5.180 2.944 2.558 3.497 . 0 0 "[ . 1 . 2]" 3
195 1 86 LEU HG 1 104 HIS HD2 5.080 . 5.080 3.707 2.858 5.109 0.029 8 0 "[ . 1 . 2]" 3
196 1 123 THR HA 1 124 PHE QD 5.330 . 5.330 3.510 3.346 3.763 . 0 0 "[ . 1 . 2]" 3
197 1 122 SER HB2 1 124 PHE QD 5.450 . 5.450 3.904 3.403 4.392 . 0 0 "[ . 1 . 2]" 3
198 1 124 PHE QD 1 130 ALA HA 6.110 . 6.110 3.253 3.054 3.433 . 0 0 "[ . 1 . 2]" 3
199 1 10 ILE QG 1 124 PHE QD 4.790 . 4.790 3.272 3.044 3.635 . 0 0 "[ . 1 . 2]" 3
200 1 103 MET ME 1 124 PHE QD 5.550 . 5.550 2.848 2.593 3.333 . 0 0 "[ . 1 . 2]" 3
201 1 124 PHE QD 1 130 ALA MB 5.330 . 5.330 2.610 2.290 2.899 . 0 0 "[ . 1 . 2]" 3
202 1 35 GLN H 1 36 TRP HD1 6.170 . 6.170 3.839 3.627 4.134 . 0 0 "[ . 1 . 2]" 3
203 1 36 TRP HZ3 1 146 LEU MD2 5.430 . 5.430 2.482 2.125 2.977 . 0 0 "[ . 1 . 2]" 3
204 1 59 TYR QE 1 70 THR H 6.040 . 6.040 4.929 4.577 5.172 . 0 0 "[ . 1 . 2]" 3
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