NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444322 |
2kgk   |
16822 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kgk
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 1613
_Distance_constraint_stats_list.Viol_count 276
_Distance_constraint_stats_list.Viol_total 363.894
_Distance_constraint_stats_list.Viol_max 0.947
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0879
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.513 0.174 9 0 "[ . 1 .]"
1 2 ILE 0.513 0.174 9 0 "[ . 1 .]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 4 SER 0.000 0.000 . 0 "[ . 1 .]"
1 5 PHE 0.947 0.947 9 1 "[ . +1 .]"
1 6 MET 0.000 0.000 . 0 "[ . 1 .]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 9 MET 0.000 0.000 . 0 "[ . 1 .]"
1 10 ASP 0.079 0.060 6 0 "[ . 1 .]"
1 11 GLU 0.548 0.208 15 0 "[ . 1 .]"
1 12 ASN 0.996 0.354 3 0 "[ . 1 .]"
1 13 ARG 3.152 0.348 2 0 "[ . 1 .]"
1 14 VAL 5.218 0.348 2 0 "[ . 1 .]"
1 15 ILE 2.951 0.270 14 0 "[ . 1 .]"
1 16 GLY 0.744 0.117 14 0 "[ . 1 .]"
1 17 LYS 0.250 0.136 12 0 "[ . 1 .]"
1 18 ASP 0.285 0.136 12 0 "[ . 1 .]"
1 19 ASN 0.035 0.035 6 0 "[ . 1 .]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 27 SER 0.000 0.000 . 0 "[ . 1 .]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 30 GLN 0.684 0.306 13 0 "[ . 1 .]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 32 VAL 0.816 0.154 8 0 "[ . 1 .]"
1 33 LYS 0.816 0.154 8 0 "[ . 1 .]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 35 THR 0.000 0.000 . 0 "[ . 1 .]"
1 36 THR 0.154 0.113 15 0 "[ . 1 .]"
1 37 MET 0.000 0.000 . 0 "[ . 1 .]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 41 LEU 0.033 0.033 11 0 "[ . 1 .]"
1 42 ILE 0.092 0.092 4 0 "[ . 1 .]"
1 43 MET 0.084 0.084 13 0 "[ . 1 .]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 51 ILE 0.056 0.056 14 0 "[ . 1 .]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 54 PRO 0.049 0.049 4 0 "[ . 1 .]"
1 55 LEU 0.049 0.049 4 0 "[ . 1 .]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 60 ASN 0.014 0.010 4 0 "[ . 1 .]"
1 61 ILE 0.081 0.081 10 0 "[ . 1 .]"
1 62 ILE 0.397 0.160 11 0 "[ . 1 .]"
1 63 VAL 0.184 0.103 5 0 "[ . 1 .]"
1 64 THR 0.061 0.061 5 0 "[ . 1 .]"
1 65 ARG 1.519 0.280 4 0 "[ . 1 .]"
1 66 ASN 0.489 0.198 13 0 "[ . 1 .]"
1 67 GLU 0.242 0.061 12 0 "[ . 1 .]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 72 GLU 0.218 0.127 7 0 "[ . 1 .]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 76 VAL 0.335 0.083 2 0 "[ . 1 .]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 79 SER 0.000 0.000 . 0 "[ . 1 .]"
1 80 VAL 0.535 0.109 3 0 "[ . 1 .]"
1 81 GLU 0.016 0.016 10 0 "[ . 1 .]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 83 VAL 0.078 0.066 14 0 "[ . 1 .]"
1 84 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 85 GLU 0.127 0.038 8 0 "[ . 1 .]"
1 86 LEU 0.127 0.038 8 0 "[ . 1 .]"
1 87 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 91 GLU 0.099 0.058 10 0 "[ . 1 .]"
1 92 GLU 0.146 0.058 10 0 "[ . 1 .]"
1 93 ILE 0.001 0.001 10 0 "[ . 1 .]"
1 94 PHE 0.033 0.033 11 0 "[ . 1 .]"
1 95 ILE 1.842 0.947 9 1 "[ . +1 .]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 98 GLY 0.199 0.073 10 0 "[ . 1 .]"
1 99 ALA 0.096 0.096 14 0 "[ . 1 .]"
1 100 GLN 0.011 0.011 15 0 "[ . 1 .]"
1 101 ILE 0.755 0.107 11 0 "[ . 1 .]"
1 102 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 105 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 108 TYR 0.034 0.029 12 0 "[ . 1 .]"
1 109 VAL 1.215 0.201 6 0 "[ . 1 .]"
1 110 ASP 0.778 0.201 6 0 "[ . 1 .]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 112 LEU 0.038 0.023 7 0 "[ . 1 .]"
1 113 TYR 0.038 0.023 7 0 "[ . 1 .]"
1 114 ILE 0.033 0.033 9 0 "[ . 1 .]"
1 115 THR 0.265 0.123 15 0 "[ . 1 .]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 117 ILE 0.876 0.285 4 0 "[ . 1 .]"
1 118 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 119 HIS 0.093 0.088 6 0 "[ . 1 .]"
1 120 ALA 0.113 0.095 3 0 "[ . 1 .]"
1 121 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 122 GLU 0.044 0.042 14 0 "[ . 1 .]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 124 ASP 0.013 0.013 11 0 "[ . 1 .]"
1 125 THR 0.047 0.029 2 0 "[ . 1 .]"
1 126 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 127 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 128 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 129 GLU 0.390 0.117 13 0 "[ . 1 .]"
1 130 MET 0.000 0.000 . 0 "[ . 1 .]"
1 131 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 132 MET 0.003 0.003 2 0 "[ . 1 .]"
1 133 THR 0.625 0.138 13 0 "[ . 1 .]"
1 134 ASN 0.437 0.138 13 0 "[ . 1 .]"
1 135 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 136 LYS 0.114 0.114 2 0 "[ . 1 .]"
1 137 GLU 0.114 0.114 2 0 "[ . 1 .]"
1 138 VAL 0.401 0.132 14 0 "[ . 1 .]"
1 139 PHE 0.401 0.132 14 0 "[ . 1 .]"
1 140 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 141 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 142 LYS 0.795 0.189 14 0 "[ . 1 .]"
1 143 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 144 LEU 0.042 0.033 12 0 "[ . 1 .]"
1 145 THR 0.611 0.181 11 0 "[ . 1 .]"
1 146 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 147 GLU 0.036 0.036 7 0 "[ . 1 .]"
1 148 LYS 0.221 0.122 6 0 "[ . 1 .]"
1 149 ASN 0.079 0.050 7 0 "[ . 1 .]"
1 152 THR 0.000 0.000 . 0 "[ . 1 .]"
1 153 TYR 0.285 0.285 4 0 "[ . 1 .]"
1 154 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 155 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 156 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 157 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 158 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 159 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 160 LYS 0.297 0.158 11 0 "[ . 1 .]"
1 161 GLN 1.672 0.601 5 1 "[ + 1 .]"
1 162 GLN 0.022 0.018 7 0 "[ . 1 .]"
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 35 THR H 1 35 THR HB 3.900 . 5.900 2.358 2.174 2.683 . 0 0 "[ . 1 .]" 1
2 1 35 THR HB 1 36 THR H 4.300 . 6.300 3.472 2.257 4.113 . 0 0 "[ . 1 .]" 1
3 1 35 THR HB 1 36 THR MG 5.400 . 7.400 4.365 2.677 5.416 . 0 0 "[ . 1 .]" 1
4 1 83 VAL HA 1 87 CYS H 4.700 . 6.700 4.132 3.765 4.315 . 0 0 "[ . 1 .]" 1
5 1 83 VAL HA 1 86 LEU HB2 4.400 . 6.400 2.333 2.181 2.616 . 0 0 "[ . 1 .]" 1
6 1 83 VAL HA 1 86 LEU HB3 4.400 . 6.400 3.233 2.725 4.266 . 0 0 "[ . 1 .]" 1
7 1 42 ILE HG12 1 83 VAL HA 4.600 . 6.600 4.679 4.410 5.029 . 0 0 "[ . 1 .]" 1
8 1 83 VAL HA 1 85 GLU H 4.700 . 6.700 4.558 4.350 4.650 . 0 0 "[ . 1 .]" 1
9 1 32 VAL HA 1 33 LYS HA 5.200 . 7.200 4.803 4.716 4.881 . 0 0 "[ . 1 .]" 1
10 1 32 VAL HA 1 36 THR HB 5.500 . 7.500 5.400 4.400 6.284 . 0 0 "[ . 1 .]" 1
11 1 32 VAL HA 1 36 THR H 4.500 . 6.500 4.094 3.806 4.474 . 0 0 "[ . 1 .]" 1
12 1 80 VAL HA 1 83 VAL HB 3.600 . 5.600 2.341 2.200 2.644 . 0 0 "[ . 1 .]" 1
13 1 35 THR HA 1 36 THR MG 5.400 . 7.400 4.881 4.634 5.252 . 0 0 "[ . 1 .]" 1
14 1 80 VAL HA 1 80 VAL MG1 3.300 . 5.300 2.977 2.165 3.187 . 0 0 "[ . 1 .]" 1
15 1 34 LYS HG2 1 35 THR HA 5.000 . 7.000 4.461 3.545 5.244 . 0 0 "[ . 1 .]" 1
16 1 34 LYS HG3 1 35 THR HA 5.000 . 7.000 4.209 3.243 5.772 . 0 0 "[ . 1 .]" 1
17 1 35 THR HA 1 35 THR MG 3.400 . 5.400 2.947 2.367 3.200 . 0 0 "[ . 1 .]" 1
18 1 51 ILE HA 1 51 ILE HG12 3.800 . 5.800 2.826 2.447 3.534 . 0 0 "[ . 1 .]" 1
19 1 51 ILE HA 1 51 ILE HG13 3.800 . 5.800 2.654 2.188 2.990 . 0 0 "[ . 1 .]" 1
20 1 101 ILE HA 1 101 ILE MD 3.900 . 5.900 2.468 2.029 3.769 . 0 0 "[ . 1 .]" 1
21 1 48 TYR HA 1 51 ILE HB 4.200 . 6.200 2.707 2.228 3.191 . 0 0 "[ . 1 .]" 1
22 1 48 TYR HA 1 51 ILE MD 4.300 . 6.300 3.079 2.251 3.931 . 0 0 "[ . 1 .]" 1
23 1 100 GLN HG3 1 101 ILE HA 4.600 . 6.600 3.858 2.973 5.243 . 0 0 "[ . 1 .]" 1
24 1 81 GLU HA 1 84 PHE QE 5.500 . 7.500 5.777 5.481 6.115 . 0 0 "[ . 1 .]" 1
25 1 81 GLU HA 1 81 GLU HG3 3.800 . 5.800 3.214 2.995 3.726 . 0 0 "[ . 1 .]" 1
26 1 81 GLU HA 1 84 PHE QB 4.000 . 6.000 2.928 2.815 3.079 . 0 0 "[ . 1 .]" 1
27 1 33 LYS HA 1 36 THR H 5.000 . 7.000 3.522 3.266 3.904 . 0 0 "[ . 1 .]" 1
28 1 49 GLU HA 1 52 GLY H 4.400 . 6.400 3.893 3.402 4.172 . 0 0 "[ . 1 .]" 1
29 1 49 GLU HA 1 49 GLU HG2 3.900 . 5.900 3.017 2.261 4.224 . 0 0 "[ . 1 .]" 1
30 1 49 GLU HA 1 49 GLU HG3 3.900 . 5.900 3.397 2.633 3.781 . 0 0 "[ . 1 .]" 1
31 1 29 LEU HG 1 30 GLN HA 5.500 . 7.500 3.544 3.061 5.327 . 0 0 "[ . 1 .]" 1
32 1 29 LEU HB2 1 30 GLN HA 5.200 . 7.200 5.367 4.715 5.679 . 0 0 "[ . 1 .]" 1
33 1 88 LYS HA 1 88 LYS QD 4.700 . 6.700 4.363 4.257 4.477 . 0 0 "[ . 1 .]" 1
34 1 30 GLN HA 1 34 LYS H 5.200 . 7.200 3.917 3.654 4.215 . 0 0 "[ . 1 .]" 1
35 1 67 GLU HA 1 69 TYR H 4.300 . 6.300 3.461 3.277 3.595 . 0 0 "[ . 1 .]" 1
36 1 142 LYS HA 1 154 TYR QE 4.400 . 6.400 4.532 4.107 4.920 . 0 0 "[ . 1 .]" 1
37 1 141 GLU QG 1 142 LYS HA 4.500 . 6.500 3.892 3.713 4.259 . 0 0 "[ . 1 .]" 1
38 1 142 LYS HA 1 155 TYR H 4.400 . 6.400 2.845 2.596 3.153 . 0 0 "[ . 1 .]" 1
39 1 160 LYS HA 1 160 LYS HG3 3.800 . 5.800 3.449 2.655 3.558 . 0 0 "[ . 1 .]" 1
40 1 160 LYS HA 1 160 LYS HG2 3.800 . 5.800 2.261 2.128 2.484 . 0 0 "[ . 1 .]" 1
41 1 160 LYS HA 1 161 GLN QG 4.500 . 6.500 3.909 3.454 4.489 . 0 0 "[ . 1 .]" 1
42 1 129 GLU HA 1 130 MET QG 4.700 . 6.700 4.091 3.587 4.561 . 0 0 "[ . 1 .]" 1
43 1 4 SER HA 1 113 TYR QD 5.200 . 7.200 4.506 3.866 5.611 . 0 0 "[ . 1 .]" 1
44 1 139 PHE H 1 158 TYR HA 5.200 . 7.200 4.861 4.134 5.328 . 0 0 "[ . 1 .]" 1
45 1 138 VAL MG1 1 158 TYR HA 5.200 . 7.200 4.216 3.584 4.956 . 0 0 "[ . 1 .]" 1
46 1 135 TRP HZ3 1 158 TYR HA 5.500 . 7.500 5.562 5.151 6.228 . 0 0 "[ . 1 .]" 1
47 1 158 TYR HA 1 158 TYR QE 5.500 . 7.500 4.334 4.118 4.594 . 0 0 "[ . 1 .]" 1
48 1 157 VAL HB 1 158 TYR HA 5.400 . 7.400 4.780 4.533 4.958 . 0 0 "[ . 1 .]" 1
49 1 112 LEU HB3 1 158 TYR HA 5.400 . 7.400 4.821 4.428 5.176 . 0 0 "[ . 1 .]" 1
50 1 1 MET HA 1 2 ILE HB 5.500 . 7.500 5.592 4.684 5.870 . 0 0 "[ . 1 .]" 1
51 1 1 MET HA 1 2 ILE MG 5.500 . 7.500 5.775 5.405 5.967 . 0 0 "[ . 1 .]" 1
52 1 6 MET HA 1 113 TYR H 4.800 . 6.800 3.678 3.159 4.067 . 0 0 "[ . 1 .]" 1
53 1 6 MET HA 1 7 VAL MG1 5.500 . 7.500 3.945 3.360 5.459 . 0 0 "[ . 1 .]" 1
54 1 6 MET HA 1 114 ILE HG13 5.500 . 7.500 5.332 4.631 5.837 . 0 0 "[ . 1 .]" 1
55 1 6 MET HA 1 113 TYR QD 5.300 . 7.300 4.041 2.851 4.832 . 0 0 "[ . 1 .]" 1
56 1 112 LEU HB2 1 158 TYR HB2 5.000 . 7.000 3.679 2.151 4.416 . 0 0 "[ . 1 .]" 1
57 1 112 LEU HB3 1 135 TRP HZ3 4.900 . 6.900 3.858 2.511 5.465 . 0 0 "[ . 1 .]" 1
58 1 112 LEU HB2 1 158 TYR H 5.500 . 7.500 5.070 3.935 5.752 . 0 0 "[ . 1 .]" 1
59 1 112 LEU HB3 1 158 TYR HB3 4.900 . 6.900 2.932 2.162 3.897 . 0 0 "[ . 1 .]" 1
60 1 112 LEU HB2 1 158 TYR HB3 5.000 . 7.000 3.892 2.524 5.298 . 0 0 "[ . 1 .]" 1
61 1 112 LEU HB2 1 135 TRP HZ3 4.500 . 6.500 3.123 2.542 3.718 . 0 0 "[ . 1 .]" 1
62 1 112 LEU HB3 1 158 TYR HB2 4.900 . 6.900 2.296 2.145 2.695 . 0 0 "[ . 1 .]" 1
63 1 112 LEU HB2 1 158 TYR QD 5.400 . 7.400 5.025 3.563 5.801 . 0 0 "[ . 1 .]" 1
64 1 112 LEU HB3 1 158 TYR QD 4.900 . 6.900 3.872 3.051 4.365 . 0 0 "[ . 1 .]" 1
65 1 116 LYS QG 1 154 TYR HB2 5.000 . 7.000 4.098 2.513 4.868 . 0 0 "[ . 1 .]" 1
66 1 143 GLY H 1 154 TYR HB2 5.300 . 7.300 5.395 5.057 5.675 . 0 0 "[ . 1 .]" 1
67 1 116 LYS H 1 154 TYR HB2 5.500 . 7.500 3.678 3.177 4.025 . 0 0 "[ . 1 .]" 1
68 1 143 GLY H 1 154 TYR HB3 5.200 . 7.200 4.476 4.053 4.857 . 0 0 "[ . 1 .]" 1
69 1 154 TYR HB2 1 155 TYR H 4.800 . 6.800 3.818 3.285 4.137 . 0 0 "[ . 1 .]" 1
70 1 116 LYS H 1 154 TYR HB3 5.300 . 7.300 5.010 4.601 5.465 . 0 0 "[ . 1 .]" 1
71 1 143 GLY HA2 1 153 TYR QD 4.400 . 6.400 3.866 3.254 4.252 . 0 0 "[ . 1 .]" 1
72 1 143 GLY HA3 1 153 TYR QD 4.400 . 6.400 2.480 2.200 3.125 . 0 0 "[ . 1 .]" 1
73 1 13 ARG QB 1 13 ARG QD 3.300 . 5.300 2.294 2.055 2.736 . 0 0 "[ . 1 .]" 1
74 1 13 ARG QD 1 127 PHE H 5.200 . 7.200 5.550 4.231 6.083 . 0 0 "[ . 1 .]" 1
75 1 86 LEU H 1 86 LEU HB2 4.000 . 6.000 2.136 2.063 2.544 . 0 0 "[ . 1 .]" 1
76 1 86 LEU H 1 86 LEU HB3 4.000 . 6.000 3.343 3.187 3.602 . 0 0 "[ . 1 .]" 1
77 1 124 ASP HB2 1 125 THR H 4.100 . 6.100 3.707 2.945 4.138 . 0 0 "[ . 1 .]" 1
78 1 139 PHE HB2 1 157 VAL H 5.500 . 7.500 5.701 5.313 5.998 . 0 0 "[ . 1 .]" 1
79 1 124 ASP HB3 1 125 THR H 4.100 . 6.100 2.945 1.877 4.386 . 0 0 "[ . 1 .]" 1
80 1 139 PHE HB3 1 157 VAL HB 4.100 . 6.100 2.507 2.207 2.813 . 0 0 "[ . 1 .]" 1
81 1 139 PHE HB3 1 157 VAL MG2 4.300 . 6.300 2.299 2.083 2.479 . 0 0 "[ . 1 .]" 1
82 1 114 ILE HB 1 115 THR H 4.700 . 6.700 3.975 3.784 4.250 . 0 0 "[ . 1 .]" 1
83 1 114 ILE HB 1 156 HIS H 5.000 . 7.000 4.499 4.237 4.724 . 0 0 "[ . 1 .]" 1
84 1 114 ILE H 1 114 ILE HB 4.200 . 6.200 2.824 2.623 3.092 . 0 0 "[ . 1 .]" 1
85 1 144 LEU HB2 1 145 THR H 4.100 . 6.100 3.934 3.379 4.330 . 0 0 "[ . 1 .]" 1
86 1 86 LEU HB2 1 86 LEU MD1 3.200 . 5.200 2.678 2.113 3.216 . 0 0 "[ . 1 .]" 1
87 1 17 LYS HE2 1 18 ASP H 5.500 . 7.500 5.426 4.000 5.976 . 0 0 "[ . 1 .]" 1
88 1 17 LYS HE3 1 18 ASP H 5.500 . 7.500 5.167 3.738 6.241 . 0 0 "[ . 1 .]" 1
89 1 136 LYS QE 1 136 LYS QG 3.000 . 5.000 2.283 2.116 2.793 . 0 0 "[ . 1 .]" 1
90 1 136 LYS QE 1 137 GLU H 4.600 . 6.600 3.855 2.618 4.560 . 0 0 "[ . 1 .]" 1
91 1 148 LYS QE 1 148 LYS QG 2.800 . 4.800 2.173 2.088 2.394 . 0 0 "[ . 1 .]" 1
92 1 88 LYS QE 1 88 LYS HG3 3.000 . 5.000 2.437 2.123 2.933 . 0 0 "[ . 1 .]" 1
93 1 88 LYS QB 1 88 LYS QE 2.900 . 4.900 2.396 1.969 3.544 . 0 0 "[ . 1 .]" 1
94 1 60 ASN HB2 1 61 ILE H 4.500 . 6.500 3.862 3.325 4.535 . 0 0 "[ . 1 .]" 1
95 1 103 ASP H 1 103 ASP QB 2.900 . 4.900 2.241 2.195 2.275 . 0 0 "[ . 1 .]" 1
96 1 88 LYS H 1 88 LYS QE 4.300 . 6.300 4.523 4.135 5.038 . 0 0 "[ . 1 .]" 1
97 1 29 LEU HB2 1 29 LEU MD2 3.400 . 5.400 2.576 2.187 3.143 . 0 0 "[ . 1 .]" 1
98 1 29 LEU HB3 1 30 GLN H 4.500 . 6.500 3.275 2.190 3.990 . 0 0 "[ . 1 .]" 1
99 1 108 TYR HB3 1 109 VAL H 4.300 . 6.300 3.634 2.837 4.335 . 0 0 "[ . 1 .]" 1
100 1 106 LEU HB3 1 107 PRO HD2 4.400 . 6.400 3.497 2.863 3.764 . 0 0 "[ . 1 .]" 1
101 1 62 ILE H 1 62 ILE HB 3.700 . 5.700 3.642 3.557 3.770 . 0 0 "[ . 1 .]" 1
102 1 106 LEU HB2 1 107 PRO HD3 4.400 . 6.400 2.827 2.176 3.738 . 0 0 "[ . 1 .]" 1
103 1 106 LEU H 1 106 LEU HB3 3.300 . 5.300 2.939 2.183 3.468 . 0 0 "[ . 1 .]" 1
104 1 106 LEU HB2 1 107 PRO HD2 4.400 . 6.400 3.750 2.660 4.762 . 0 0 "[ . 1 .]" 1
105 1 106 LEU H 1 106 LEU HB2 3.300 . 5.300 2.340 2.074 2.951 . 0 0 "[ . 1 .]" 1
106 1 106 LEU HB3 1 107 PRO HD3 4.400 . 6.400 2.190 2.042 2.365 . 0 0 "[ . 1 .]" 1
107 1 93 ILE HB 1 94 PHE H 4.300 . 6.300 2.921 2.488 3.369 . 0 0 "[ . 1 .]" 1
108 1 93 ILE HB 1 95 ILE MD 5.300 . 7.300 3.403 2.661 4.183 . 0 0 "[ . 1 .]" 1
109 1 1 MET QB 1 2 ILE HB 4.600 . 6.600 3.826 3.506 4.727 . 0 0 "[ . 1 .]" 1
110 1 15 ILE HB 1 16 GLY H 4.200 . 6.200 3.543 2.413 4.334 . 0 0 "[ . 1 .]" 1
111 1 61 ILE HB 1 77 ALA MB 4.100 . 6.100 3.905 3.362 4.394 . 0 0 "[ . 1 .]" 1
112 1 61 ILE H 1 61 ILE HB 4.200 . 6.200 2.756 2.599 3.007 . 0 0 "[ . 1 .]" 1
113 1 18 ASP H 1 18 ASP HB2 4.000 . 6.000 3.230 2.430 3.933 . 0 0 "[ . 1 .]" 1
114 1 117 ILE HB 1 153 TYR QD 5.300 . 7.300 5.464 4.927 5.814 . 0 0 "[ . 1 .]" 1
115 1 11 GLU H 1 117 ILE HB 5.100 . 7.100 3.808 2.723 4.624 . 0 0 "[ . 1 .]" 1
116 1 43 MET QB 1 62 ILE HB 5.000 . 7.000 4.677 4.335 4.847 . 0 0 "[ . 1 .]" 1
117 1 64 THR MG 1 66 ASN HB2 4.700 . 6.700 3.562 2.768 4.941 . 0 0 "[ . 1 .]" 1
118 1 49 GLU H 1 49 GLU HG2 3.900 . 5.900 2.958 1.909 3.935 . 0 0 "[ . 1 .]" 1
119 1 43 MET QB 1 48 TYR QD 5.200 . 7.200 4.529 2.400 5.202 . 0 0 "[ . 1 .]" 1
120 1 43 MET QB 1 47 ASN QB 4.600 . 6.600 3.114 2.321 4.368 . 0 0 "[ . 1 .]" 1
121 1 43 MET QB 1 62 ILE MD 5.500 . 7.500 5.222 4.887 5.369 . 0 0 "[ . 1 .]" 1
122 1 137 GLU QG 1 139 PHE H 4.400 . 6.400 3.798 2.250 4.789 . 0 0 "[ . 1 .]" 1
123 1 134 ASN H 1 134 ASN HB2 4.100 . 6.100 2.777 2.232 3.485 . 0 0 "[ . 1 .]" 1
124 1 51 ILE H 1 51 ILE HB 3.800 . 5.800 2.377 2.139 2.657 . 0 0 "[ . 1 .]" 1
125 1 49 GLU H 1 51 ILE HB 5.500 . 7.500 5.263 4.762 5.667 . 0 0 "[ . 1 .]" 1
126 1 134 ASN H 1 134 ASN HB3 4.100 . 6.100 3.459 2.621 4.087 . 0 0 "[ . 1 .]" 1
127 1 137 GLU QG 1 138 VAL H 4.700 . 6.700 3.404 2.118 4.213 . 0 0 "[ . 1 .]" 1
128 1 31 TYR H 1 31 TYR HB3 4.100 . 6.100 3.031 2.506 3.575 . 0 0 "[ . 1 .]" 1
129 1 81 GLU HG3 1 82 GLU H 4.400 . 6.400 4.137 3.738 4.980 . 0 0 "[ . 1 .]" 1
130 1 81 GLU HG2 1 84 PHE QB 5.400 . 7.400 5.018 4.382 5.319 . 0 0 "[ . 1 .]" 1
131 1 77 ALA MB 1 82 GLU HG2 4.000 . 6.000 4.144 3.439 4.740 . 0 0 "[ . 1 .]" 1
132 1 81 GLU HA 1 81 GLU HG2 4.100 . 6.100 2.452 2.071 2.614 . 0 0 "[ . 1 .]" 1
133 1 80 VAL MG1 1 81 GLU HG2 4.800 . 6.800 3.379 2.487 4.706 . 0 0 "[ . 1 .]" 1
134 1 80 VAL MG2 1 81 GLU HG2 4.800 . 6.800 4.638 3.948 5.704 . 0 0 "[ . 1 .]" 1
135 1 80 VAL H 1 81 GLU HG2 5.400 . 7.400 5.278 4.112 6.274 . 0 0 "[ . 1 .]" 1
136 1 135 TRP HE3 1 159 GLU QG 5.500 . 7.500 4.756 4.031 5.443 . 0 0 "[ . 1 .]" 1
137 1 139 PHE H 1 159 GLU QG 5.500 . 7.500 5.474 4.671 6.141 . 0 0 "[ . 1 .]" 1
138 1 159 GLU QG 1 160 LYS H 4.600 . 6.600 3.880 2.787 4.438 . 0 0 "[ . 1 .]" 1
139 1 101 ILE H 1 101 ILE HB 3.600 . 5.600 2.597 2.207 2.961 . 0 0 "[ . 1 .]" 1
140 1 42 ILE HB 1 95 ILE MG 4.300 . 6.300 2.310 2.159 2.985 . 0 0 "[ . 1 .]" 1
141 1 100 GLN H 1 101 ILE HB 5.200 . 7.200 5.051 4.839 5.463 . 0 0 "[ . 1 .]" 1
142 1 141 GLU QG 1 142 LYS QG 5.100 . 7.100 4.071 3.276 5.339 . 0 0 "[ . 1 .]" 1
143 1 42 ILE HB 1 96 PHE H 4.600 . 6.600 3.238 2.770 3.706 . 0 0 "[ . 1 .]" 1
144 1 4 SER HA 1 111 LYS HB2 4.800 . 6.800 2.560 2.159 4.626 . 0 0 "[ . 1 .]" 1
145 1 42 ILE H 1 42 ILE HB 4.200 . 6.200 2.376 2.282 2.518 . 0 0 "[ . 1 .]" 1
146 1 4 SER HA 1 111 LYS HB3 4.800 . 6.800 3.031 2.308 4.762 . 0 0 "[ . 1 .]" 1
147 1 122 GLU QB 1 122 GLU HG3 2.500 . 4.500 2.334 2.183 2.546 . 0 0 "[ . 1 .]" 1
148 1 99 ALA H 1 101 ILE HB 5.400 . 7.400 5.002 4.805 5.336 . 0 0 "[ . 1 .]" 1
149 1 122 GLU H 1 122 GLU HG2 3.900 . 5.900 3.112 1.798 4.031 0.002 14 0 "[ . 1 .]" 1
150 1 7 VAL HB 1 8 ALA H 4.700 . 6.700 3.837 2.709 4.204 . 0 0 "[ . 1 .]" 1
151 1 7 VAL HB 1 15 ILE MG 4.500 . 6.500 4.199 2.621 4.826 . 0 0 "[ . 1 .]" 1
152 1 147 GLU QG 1 148 LYS H 4.000 . 6.000 3.452 1.950 4.010 . 0 0 "[ . 1 .]" 1
153 1 91 GLU H 1 91 GLU HG3 3.900 . 5.900 3.036 2.020 3.664 . 0 0 "[ . 1 .]" 1
154 1 147 GLU H 1 147 GLU QG 4.300 . 6.300 2.857 1.764 4.066 0.036 7 0 "[ . 1 .]" 1
155 1 91 GLU HG2 1 92 GLU H 4.600 . 6.600 2.562 1.808 4.531 . 0 0 "[ . 1 .]" 1
156 1 67 GLU HA 1 67 GLU HG3 4.000 . 6.000 3.465 3.348 3.519 . 0 0 "[ . 1 .]" 1
157 1 67 GLU HA 1 67 GLU HG2 4.000 . 6.000 3.384 2.563 4.123 . 0 0 "[ . 1 .]" 1
158 1 72 GLU H 1 72 GLU QG 3.000 . 5.000 2.110 1.673 2.642 0.127 7 0 "[ . 1 .]" 1
159 1 71 VAL HB 1 74 CYS HB3 3.900 . 5.900 3.248 2.641 4.500 . 0 0 "[ . 1 .]" 1
160 1 71 VAL HB 1 74 CYS HB2 3.900 . 5.900 3.724 2.464 4.355 . 0 0 "[ . 1 .]" 1
161 1 62 ILE MD 1 71 VAL HB 3.800 . 5.800 2.511 2.172 3.058 . 0 0 "[ . 1 .]" 1
162 1 136 LYS HB3 1 136 LYS QE 4.600 . 6.600 2.735 2.137 4.268 . 0 0 "[ . 1 .]" 1
163 1 11 GLU QG 1 120 ALA H 4.300 . 6.300 3.388 2.917 4.404 . 0 0 "[ . 1 .]" 1
164 1 71 VAL HB 1 72 GLU H 4.400 . 6.400 4.312 4.107 4.419 . 0 0 "[ . 1 .]" 1
165 1 136 LYS H 1 136 LYS HB2 3.400 . 5.400 2.485 2.188 3.065 . 0 0 "[ . 1 .]" 1
166 1 85 GLU HG2 1 86 LEU H 3.900 . 5.900 2.718 2.573 2.947 . 0 0 "[ . 1 .]" 1
167 1 11 GLU QG 1 117 ILE MG 4.900 . 6.900 4.102 3.663 4.653 . 0 0 "[ . 1 .]" 1
168 1 85 GLU HG3 1 86 LEU H 3.900 . 5.900 2.023 1.784 3.646 0.016 8 0 "[ . 1 .]" 1
169 1 11 GLU QG 1 12 ASN HD22 4.500 . 6.500 3.482 2.734 4.240 . 0 0 "[ . 1 .]" 1
170 1 136 LYS H 1 136 LYS HB3 3.400 . 5.400 3.132 2.489 3.407 . 0 0 "[ . 1 .]" 1
171 1 11 GLU QG 1 121 PHE H 5.500 . 7.500 5.813 5.495 6.309 . 0 0 "[ . 1 .]" 1
172 1 11 GLU QG 1 12 ASN HD21 4.500 . 6.500 2.348 1.697 3.455 0.103 15 0 "[ . 1 .]" 1
173 1 136 LYS HB2 1 136 LYS QE 4.600 . 6.600 3.674 3.013 4.566 . 0 0 "[ . 1 .]" 1
174 1 17 LYS HB2 1 18 ASP H 5.100 . 7.100 3.932 3.405 4.280 . 0 0 "[ . 1 .]" 1
175 1 11 GLU H 1 11 GLU QG 3.500 . 5.500 2.035 1.781 3.270 0.019 13 0 "[ . 1 .]" 1
176 1 139 PHE QD 1 141 GLU HB2 4.600 . 6.600 3.352 3.177 3.674 . 0 0 "[ . 1 .]" 1
177 1 139 PHE QD 1 141 GLU HB3 4.900 . 6.900 4.570 4.278 4.824 . 0 0 "[ . 1 .]" 1
178 1 141 GLU HB2 1 155 TYR H 5.200 . 7.200 5.223 4.821 5.451 . 0 0 "[ . 1 .]" 1
179 1 141 GLU HB2 1 142 LYS H 4.200 . 6.200 4.045 3.899 4.385 . 0 0 "[ . 1 .]" 1
180 1 141 GLU HB3 1 155 TYR H 4.800 . 6.800 3.726 3.222 4.032 . 0 0 "[ . 1 .]" 1
181 1 99 ALA MB 1 100 GLN HG3 5.100 . 7.100 4.941 3.854 5.733 . 0 0 "[ . 1 .]" 1
182 1 139 PHE HB2 1 157 VAL HB 4.100 . 6.100 3.576 3.092 4.020 . 0 0 "[ . 1 .]" 1
183 1 100 GLN HG3 1 101 ILE HB 4.700 . 6.700 4.624 4.097 5.690 . 0 0 "[ . 1 .]" 1
184 1 100 GLN H 1 100 GLN HG2 4.100 . 6.100 2.469 1.789 3.866 0.011 15 0 "[ . 1 .]" 1
185 1 100 GLN HG3 1 101 ILE H 4.000 . 6.000 2.522 1.808 3.606 . 0 0 "[ . 1 .]" 1
186 1 99 ALA H 1 100 GLN HG2 4.100 . 6.100 4.427 3.714 5.995 . 0 0 "[ . 1 .]" 1
187 1 100 GLN HG2 1 101 ILE H 3.900 . 5.900 2.475 1.809 3.635 . 0 0 "[ . 1 .]" 1
188 1 159 GLU H 1 159 GLU HB3 4.200 . 6.200 3.493 3.213 3.919 . 0 0 "[ . 1 .]" 1
189 1 159 GLU HB2 1 160 LYS H 4.600 . 6.600 3.319 2.645 4.287 . 0 0 "[ . 1 .]" 1
190 1 159 GLU HB3 1 160 LYS H 4.600 . 6.600 3.455 2.631 4.137 . 0 0 "[ . 1 .]" 1
191 1 6 MET H 1 95 ILE HB 5.000 . 7.000 4.297 3.870 4.758 . 0 0 "[ . 1 .]" 1
192 1 140 VAL HB 1 141 GLU H 4.400 . 6.400 4.160 3.972 4.391 . 0 0 "[ . 1 .]" 1
193 1 75 GLU H 1 75 GLU HB2 3.800 . 5.800 2.480 2.246 2.877 . 0 0 "[ . 1 .]" 1
194 1 29 LEU HG 1 30 GLN QG 3.600 . 5.600 3.126 2.187 4.868 . 0 0 "[ . 1 .]" 1
195 1 30 GLN H 1 30 GLN QG 3.000 . 5.000 2.531 1.494 3.241 0.306 13 0 "[ . 1 .]" 1
196 1 29 LEU MD1 1 30 GLN QG 4.500 . 6.500 3.436 2.121 4.824 . 0 0 "[ . 1 .]" 1
197 1 30 GLN QG 1 33 LYS H 5.400 . 7.400 5.492 5.049 5.777 . 0 0 "[ . 1 .]" 1
198 1 161 GLN QG 1 162 GLN H 4.500 . 6.500 3.503 1.782 4.497 0.018 7 0 "[ . 1 .]" 1
199 1 101 ILE H 1 101 ILE HG12 4.700 . 6.700 2.156 1.772 4.151 0.028 1 0 "[ . 1 .]" 1
200 1 101 ILE H 1 101 ILE HG13 4.700 . 6.700 3.106 1.798 3.573 0.002 9 0 "[ . 1 .]" 1
201 1 75 GLU HB2 1 76 VAL H 4.600 . 6.600 4.104 3.700 4.368 . 0 0 "[ . 1 .]" 1
202 1 75 GLU HB3 1 76 VAL H 4.600 . 6.600 3.279 2.861 4.007 . 0 0 "[ . 1 .]" 1
203 1 43 MET H 1 43 MET HG3 4.500 . 6.500 2.799 1.752 4.454 . 0 0 "[ . 1 .]" 1
204 1 43 MET H 1 43 MET HG2 4.500 . 6.500 3.394 2.459 4.647 . 0 0 "[ . 1 .]" 1
205 1 138 VAL HB 1 139 PHE H 4.600 . 6.600 3.820 3.205 4.212 . 0 0 "[ . 1 .]" 1
206 1 128 PRO HB2 1 129 GLU H 3.600 . 5.600 2.155 1.823 2.476 . 0 0 "[ . 1 .]" 1
207 1 33 LYS QB 1 34 LYS H 3.500 . 5.500 2.857 2.117 3.516 . 0 0 "[ . 1 .]" 1
208 1 87 CYS H 1 88 LYS QB 5.400 . 7.400 4.691 4.471 4.900 . 0 0 "[ . 1 .]" 1
209 1 88 LYS QB 1 90 GLU H 5.500 . 7.500 4.966 4.683 5.118 . 0 0 "[ . 1 .]" 1
210 1 88 LYS QB 1 89 ASN H 4.700 . 6.700 3.797 3.724 3.902 . 0 0 "[ . 1 .]" 1
211 1 6 MET H 1 6 MET HG2 4.900 . 6.900 4.343 1.923 5.041 . 0 0 "[ . 1 .]" 1
212 1 160 LYS HB3 1 160 LYS QE 4.500 . 6.500 2.932 2.190 3.899 . 0 0 "[ . 1 .]" 1
213 1 160 LYS HB2 1 160 LYS QE 4.100 . 6.100 3.792 3.315 4.335 . 0 0 "[ . 1 .]" 1
214 1 6 MET HG2 1 7 VAL H 5.000 . 7.000 4.291 3.247 5.298 . 0 0 "[ . 1 .]" 1
215 1 63 VAL HB 1 77 ALA MB 4.800 . 6.800 4.483 3.621 4.882 . 0 0 "[ . 1 .]" 1
216 1 6 MET H 1 6 MET HG3 4.900 . 6.900 4.124 2.629 4.652 . 0 0 "[ . 1 .]" 1
217 1 6 MET HG3 1 7 VAL H 5.000 . 7.000 4.064 2.977 5.183 . 0 0 "[ . 1 .]" 1
218 1 26 PRO HB2 1 148 LYS QG 4.900 . 6.900 4.583 3.383 5.354 . 0 0 "[ . 1 .]" 1
219 1 26 PRO HB3 1 27 SER H 4.300 . 6.300 4.305 4.064 4.476 . 0 0 "[ . 1 .]" 1
220 1 59 ARG HB3 1 60 ASN H 4.900 . 6.900 4.151 2.405 4.467 . 0 0 "[ . 1 .]" 1
221 1 32 VAL H 1 32 VAL HB 4.100 . 6.100 2.485 2.373 2.643 . 0 0 "[ . 1 .]" 1
222 1 80 VAL HB 1 83 VAL H 5.500 . 7.500 5.495 5.106 5.744 . 0 0 "[ . 1 .]" 1
223 1 26 PRO HB2 1 28 GLU H 5.500 . 7.500 5.465 5.229 5.868 . 0 0 "[ . 1 .]" 1
224 1 80 VAL HB 1 81 GLU H 4.300 . 6.300 3.762 2.035 4.264 . 0 0 "[ . 1 .]" 1
225 1 37 MET H 1 37 MET HG2 4.300 . 6.300 2.823 2.084 4.313 . 0 0 "[ . 1 .]" 1
226 1 74 CYS HB2 1 75 GLU H 4.200 . 6.200 3.941 2.612 4.262 . 0 0 "[ . 1 .]" 1
227 1 42 ILE HG12 1 83 VAL HB 5.500 . 7.500 5.279 4.875 5.852 . 0 0 "[ . 1 .]" 1
228 1 77 ALA MB 1 82 GLU HB3 4.200 . 6.200 4.035 3.687 4.231 . 0 0 "[ . 1 .]" 1
229 1 82 GLU H 1 82 GLU HB2 3.400 . 5.400 2.663 2.472 3.012 . 0 0 "[ . 1 .]" 1
230 1 78 HIS H 1 82 GLU HB2 4.000 . 6.000 3.832 3.553 4.075 . 0 0 "[ . 1 .]" 1
231 1 82 GLU HB2 1 83 VAL H 4.000 . 6.000 3.890 3.770 4.042 . 0 0 "[ . 1 .]" 1
232 1 63 VAL MG2 1 82 GLU HB3 5.500 . 7.500 5.024 4.543 6.098 . 0 0 "[ . 1 .]" 1
233 1 11 GLU QB 1 119 HIS H 4.000 . 6.000 3.886 3.106 5.245 . 0 0 "[ . 1 .]" 1
234 1 42 ILE HG13 1 95 ILE MD 4.200 . 6.200 4.055 3.787 4.410 . 0 0 "[ . 1 .]" 1
235 1 42 ILE H 1 42 ILE HG12 4.300 . 6.300 4.196 4.010 4.406 . 0 0 "[ . 1 .]" 1
236 1 11 GLU QB 1 120 ALA MB 4.000 . 6.000 4.135 3.881 4.317 . 0 0 "[ . 1 .]" 1
237 1 42 ILE H 1 42 ILE HG13 4.600 . 6.600 3.645 3.238 4.035 . 0 0 "[ . 1 .]" 1
238 1 110 ASP H 1 111 LYS QD 5.500 . 7.500 5.054 4.234 5.890 . 0 0 "[ . 1 .]" 1
239 1 54 PRO QB 1 55 LEU H 4.700 . 6.700 2.438 1.751 3.306 0.049 4 0 "[ . 1 .]" 1
240 1 122 GLU QB 1 122 GLU HG2 2.500 . 4.500 2.384 2.174 2.541 . 0 0 "[ . 1 .]" 1
241 1 111 LYS H 1 111 LYS QD 4.500 . 6.500 3.526 2.737 4.546 . 0 0 "[ . 1 .]" 1
242 1 87 CYS H 1 88 LYS QD 5.000 . 7.000 4.815 4.608 5.300 . 0 0 "[ . 1 .]" 1
243 1 2 ILE MG 1 111 LYS QD 3.200 . 5.200 2.584 1.995 3.703 . 0 0 "[ . 1 .]" 1
244 1 142 LYS QD 1 155 TYR H 5.500 . 7.500 5.295 3.989 5.891 . 0 0 "[ . 1 .]" 1
245 1 142 LYS QD 1 143 GLY H 5.100 . 7.100 4.637 3.956 5.062 . 0 0 "[ . 1 .]" 1
246 1 136 LYS H 1 136 LYS QD 5.500 . 7.500 4.571 4.235 5.072 . 0 0 "[ . 1 .]" 1
247 1 34 LYS H 1 34 LYS QD 4.400 . 6.400 4.107 3.463 4.654 . 0 0 "[ . 1 .]" 1
248 1 72 GLU H 1 72 GLU QB 2.800 . 4.800 2.479 2.221 2.796 . 0 0 "[ . 1 .]" 1
249 1 85 GLU HB3 1 86 LEU H 4.200 . 6.200 3.882 2.404 4.049 . 0 0 "[ . 1 .]" 1
250 1 85 GLU HB2 1 86 LEU H 4.200 . 6.200 3.520 3.358 3.827 . 0 0 "[ . 1 .]" 1
251 1 65 ARG QB 1 66 ASN H 5.000 . 7.000 3.563 3.323 3.907 . 0 0 "[ . 1 .]" 1
252 1 49 GLU QB 1 50 ALA H 3.900 . 5.900 3.029 2.402 3.620 . 0 0 "[ . 1 .]" 1
253 1 147 GLU QB 1 148 LYS H 3.600 . 5.600 2.668 2.341 3.503 . 0 0 "[ . 1 .]" 1
254 1 116 LYS QD 1 117 ILE H 5.400 . 7.400 4.066 2.053 5.328 . 0 0 "[ . 1 .]" 1
255 1 116 LYS HB2 1 116 LYS QD 3.600 . 5.600 2.593 2.158 3.330 . 0 0 "[ . 1 .]" 1
256 1 116 LYS HB3 1 116 LYS QD 3.600 . 5.600 2.634 2.137 3.373 . 0 0 "[ . 1 .]" 1
257 1 160 LYS HA 1 160 LYS HD3 4.700 . 6.700 3.067 2.293 4.388 . 0 0 "[ . 1 .]" 1
258 1 62 ILE HG12 1 62 ILE MG 3.500 . 5.500 2.356 2.260 2.405 . 0 0 "[ . 1 .]" 1
259 1 160 LYS HA 1 160 LYS HD2 4.700 . 6.700 3.059 2.246 4.558 . 0 0 "[ . 1 .]" 1
260 1 160 LYS HD2 1 161 GLN H 5.000 . 7.000 2.825 1.788 4.739 0.012 6 0 "[ . 1 .]" 1
261 1 62 ILE HG12 1 63 VAL H 5.500 . 7.500 5.159 4.996 5.294 . 0 0 "[ . 1 .]" 1
262 1 62 ILE H 1 62 ILE HG13 4.000 . 6.000 2.511 2.167 2.890 . 0 0 "[ . 1 .]" 1
263 1 148 LYS H 1 148 LYS QD 3.900 . 5.900 2.508 1.879 3.662 . 0 0 "[ . 1 .]" 1
264 1 160 LYS HD3 1 161 GLN H 5.000 . 7.000 3.308 1.779 4.661 0.021 7 0 "[ . 1 .]" 1
265 1 80 VAL MG1 1 81 GLU HB3 5.500 . 7.500 4.901 4.596 5.694 . 0 0 "[ . 1 .]" 1
266 1 62 ILE HG13 1 75 GLU H 5.000 . 7.000 5.157 4.570 5.604 . 0 0 "[ . 1 .]" 1
267 1 17 LYS HD2 1 18 ASP H 4.300 . 6.300 4.354 3.560 4.904 . 0 0 "[ . 1 .]" 1
268 1 81 GLU H 1 81 GLU HB2 3.600 . 5.600 2.567 2.134 2.783 . 0 0 "[ . 1 .]" 1
269 1 80 VAL MG1 1 81 GLU HB2 5.500 . 7.500 4.514 4.212 5.058 . 0 0 "[ . 1 .]" 1
270 1 80 VAL MG2 1 81 GLU HB3 5.500 . 7.500 5.619 5.178 6.251 . 0 0 "[ . 1 .]" 1
271 1 80 VAL MG2 1 81 GLU HB2 5.500 . 7.500 5.355 4.942 5.664 . 0 0 "[ . 1 .]" 1
272 1 100 GLN HB2 1 101 ILE MD 4.800 . 6.800 4.713 3.316 5.701 . 0 0 "[ . 1 .]" 1
273 1 26 PRO HG3 1 148 LYS H 5.500 . 7.500 6.263 5.527 7.308 . 0 0 "[ . 1 .]" 1
274 1 26 PRO HG3 1 148 LYS QE 4.500 . 6.500 4.130 2.630 5.550 . 0 0 "[ . 1 .]" 1
275 1 26 PRO HG2 1 27 SER H 4.200 . 6.200 3.278 2.817 4.270 . 0 0 "[ . 1 .]" 1
276 1 100 GLN HB2 1 101 ILE H 4.700 . 6.700 3.667 3.218 4.015 . 0 0 "[ . 1 .]" 1
277 1 61 ILE H 1 61 ILE HG12 4.400 . 6.400 3.606 1.997 4.367 . 0 0 "[ . 1 .]" 1
278 1 106 LEU H 1 106 LEU HG 4.600 . 6.600 4.223 3.064 4.478 . 0 0 "[ . 1 .]" 1
279 1 30 GLN H 1 30 GLN HB3 3.500 . 5.500 3.484 3.152 3.575 . 0 0 "[ . 1 .]" 1
280 1 30 GLN H 1 30 GLN HB2 3.500 . 5.500 2.463 2.079 3.590 . 0 0 "[ . 1 .]" 1
281 1 2 ILE H 1 2 ILE HG13 3.800 . 5.800 2.883 2.491 3.796 . 0 0 "[ . 1 .]" 1
282 1 2 ILE H 1 2 ILE HG12 3.800 . 5.800 3.684 2.483 4.236 . 0 0 "[ . 1 .]" 1
283 1 61 ILE HG12 1 61 ILE MG 3.400 . 5.400 2.393 1.944 3.203 . 0 0 "[ . 1 .]" 1
284 1 128 PRO HG2 1 129 GLU H 5.000 . 7.000 4.042 3.658 4.356 . 0 0 "[ . 1 .]" 1
285 1 144 LEU H 1 144 LEU HG 5.000 . 7.000 4.646 4.515 4.723 . 0 0 "[ . 1 .]" 1
286 1 128 PRO HG3 1 129 GLU H 5.000 . 7.000 4.736 4.433 5.004 . 0 0 "[ . 1 .]" 1
287 1 117 ILE H 1 117 ILE HG12 4.600 . 6.600 3.858 2.235 4.610 . 0 0 "[ . 1 .]" 1
288 1 5 PHE HE2 1 95 ILE HG12 5.000 . 7.000 5.605 4.957 7.947 0.947 9 1 "[ . +1 .]" 1
289 1 95 ILE HG13 1 105 PHE QE 5.100 . 7.100 4.341 2.976 5.282 . 0 0 "[ . 1 .]" 1
290 1 95 ILE HG13 1 105 PHE QD 5.200 . 7.200 3.976 3.028 4.761 . 0 0 "[ . 1 .]" 1
291 1 114 ILE H 1 114 ILE HG12 4.400 . 6.400 4.189 4.001 4.453 . 0 0 "[ . 1 .]" 1
292 1 116 LYS QG 1 117 ILE H 4.500 . 6.500 3.147 2.131 4.463 . 0 0 "[ . 1 .]" 1
293 1 116 LYS H 1 116 LYS QG 4.600 . 6.600 3.457 1.806 4.034 . 0 0 "[ . 1 .]" 1
294 1 33 LYS H 1 33 LYS HG3 4.700 . 6.700 4.078 2.362 4.650 . 0 0 "[ . 1 .]" 1
295 1 26 PRO HG3 1 148 LYS QG 3.600 . 5.600 3.074 2.407 3.989 . 0 0 "[ . 1 .]" 1
296 1 33 LYS H 1 33 LYS HG2 4.700 . 6.700 3.752 2.548 4.652 . 0 0 "[ . 1 .]" 1
297 1 86 LEU H 1 86 LEU MD1 4.000 . 6.000 3.494 2.275 4.174 . 0 0 "[ . 1 .]" 1
298 1 41 LEU MD2 1 42 ILE H 5.400 . 7.400 3.691 2.447 4.601 . 0 0 "[ . 1 .]" 1
299 1 26 PRO HG2 1 148 LYS QG 3.700 . 5.700 2.799 2.278 3.527 . 0 0 "[ . 1 .]" 1
300 1 148 LYS H 1 148 LYS QG 3.700 . 5.700 2.530 1.678 3.817 0.122 6 0 "[ . 1 .]" 1
301 1 86 LEU HB3 1 86 LEU MD1 3.200 . 5.200 2.653 2.215 3.181 . 0 0 "[ . 1 .]" 1
302 1 86 LEU MD1 1 87 CYS H 5.000 . 7.000 4.525 4.300 4.807 . 0 0 "[ . 1 .]" 1
303 1 112 LEU H 1 112 LEU MD2 4.500 . 6.500 4.286 3.663 4.581 . 0 0 "[ . 1 .]" 1
304 1 112 LEU MD2 1 113 TYR H 4.700 . 6.700 3.541 2.166 4.693 . 0 0 "[ . 1 .]" 1
305 1 112 LEU HB2 1 112 LEU MD2 3.400 . 5.400 2.671 2.155 3.200 . 0 0 "[ . 1 .]" 1
306 1 17 LYS H 1 17 LYS HG2 4.400 . 6.400 3.061 2.250 4.408 . 0 0 "[ . 1 .]" 1
307 1 29 LEU H 1 29 LEU MD1 4.600 . 6.600 4.181 3.890 4.342 . 0 0 "[ . 1 .]" 1
308 1 112 LEU HG 1 135 TRP HZ3 5.500 . 7.500 5.253 4.110 6.069 . 0 0 "[ . 1 .]" 1
309 1 109 VAL MG1 1 110 ASP H 4.000 . 6.000 3.079 2.062 3.862 . 0 0 "[ . 1 .]" 1
310 1 135 TRP HE1 1 160 LYS HG3 5.500 . 7.500 5.044 4.181 6.193 . 0 0 "[ . 1 .]" 1
311 1 14 VAL H 1 14 VAL MG2 3.900 . 5.900 3.825 2.838 4.066 . 0 0 "[ . 1 .]" 1
312 1 14 VAL HA 1 14 VAL MG2 3.900 . 5.900 2.325 2.205 2.470 . 0 0 "[ . 1 .]" 1
313 1 17 LYS H 1 17 LYS HG3 4.400 . 6.400 3.498 2.021 4.654 . 0 0 "[ . 1 .]" 1
314 1 109 VAL H 1 109 VAL MG1 4.000 . 6.000 2.692 1.685 3.832 0.115 14 0 "[ . 1 .]" 1
315 1 160 LYS HG3 1 161 GLN H 4.400 . 6.400 4.433 3.843 4.848 . 0 0 "[ . 1 .]" 1
316 1 136 LYS H 1 136 LYS QG 4.500 . 6.500 3.845 3.407 4.198 . 0 0 "[ . 1 .]" 1
317 1 136 LYS QG 1 137 GLU H 4.700 . 6.700 3.436 2.075 4.063 . 0 0 "[ . 1 .]" 1
318 1 160 LYS HG2 1 161 GLN H 4.400 . 6.400 3.900 2.261 4.613 . 0 0 "[ . 1 .]" 1
319 1 64 THR H 1 77 ALA MB 4.200 . 6.200 3.736 3.613 3.854 . 0 0 "[ . 1 .]" 1
320 1 112 LEU MD1 1 135 TRP HE1 5.500 . 7.500 5.024 3.080 6.198 . 0 0 "[ . 1 .]" 1
321 1 34 LYS QD 1 34 LYS HG2 2.500 . 4.500 2.336 2.170 2.527 . 0 0 "[ . 1 .]" 1
322 1 112 LEU H 1 112 LEU MD1 4.500 . 6.500 4.298 4.053 4.547 . 0 0 "[ . 1 .]" 1
323 1 34 LYS QE 1 34 LYS HG2 3.500 . 5.500 2.704 2.154 3.496 . 0 0 "[ . 1 .]" 1
324 1 112 LEU HB2 1 112 LEU MD1 3.400 . 5.400 2.439 2.064 3.186 . 0 0 "[ . 1 .]" 1
325 1 63 VAL MG2 1 77 ALA MB 4.100 . 6.100 2.513 2.125 3.988 . 0 0 "[ . 1 .]" 1
326 1 77 ALA MB 1 82 GLU HG3 4.000 . 6.000 4.254 3.840 4.654 . 0 0 "[ . 1 .]" 1
327 1 62 ILE H 1 77 ALA MB 4.500 . 6.500 3.948 3.544 4.572 . 0 0 "[ . 1 .]" 1
328 1 61 ILE MG 1 77 ALA MB 2.600 . 4.600 2.031 1.879 2.353 . 0 0 "[ . 1 .]" 1
329 1 77 ALA H 1 77 ALA MB 3.100 . 5.100 2.528 2.380 2.628 . 0 0 "[ . 1 .]" 1
330 1 83 VAL HA 1 83 VAL MG1 3.300 . 5.300 2.299 2.212 2.422 . 0 0 "[ . 1 .]" 1
331 1 77 ALA MB 1 78 HIS H 3.100 . 5.100 2.444 2.069 2.675 . 0 0 "[ . 1 .]" 1
332 1 34 LYS H 1 34 LYS HG2 4.800 . 6.800 3.685 2.043 4.669 . 0 0 "[ . 1 .]" 1
333 1 34 LYS H 1 34 LYS HG3 4.800 . 6.800 4.079 3.210 4.455 . 0 0 "[ . 1 .]" 1
334 1 34 LYS QD 1 34 LYS HG3 2.500 . 4.500 2.313 2.169 2.547 . 0 0 "[ . 1 .]" 1
335 1 34 LYS QE 1 34 LYS HG3 3.500 . 5.500 2.832 2.117 3.475 . 0 0 "[ . 1 .]" 1
336 1 29 LEU HB3 1 29 LEU MD2 2.900 . 4.900 2.276 2.071 3.173 . 0 0 "[ . 1 .]" 1
337 1 88 LYS HG3 1 90 GLU H 5.500 . 7.500 5.532 5.331 5.716 . 0 0 "[ . 1 .]" 1
338 1 14 VAL HA 1 14 VAL MG1 3.900 . 5.900 3.059 2.176 3.219 . 0 0 "[ . 1 .]" 1
339 1 41 LEU MD1 1 42 ILE H 5.400 . 7.400 4.153 2.483 5.431 . 0 0 "[ . 1 .]" 1
340 1 87 CYS H 1 88 LYS HG2 5.500 . 7.500 4.702 4.606 4.818 . 0 0 "[ . 1 .]" 1
341 1 88 LYS QE 1 88 LYS HG2 3.600 . 5.600 3.263 2.391 3.536 . 0 0 "[ . 1 .]" 1
342 1 88 LYS H 1 88 LYS HG3 4.200 . 6.200 4.006 3.918 4.099 . 0 0 "[ . 1 .]" 1
343 1 115 THR H 1 115 THR MG 4.000 . 6.000 2.799 1.677 3.883 0.123 15 0 "[ . 1 .]" 1
344 1 9 MET H 1 115 THR MG 4.200 . 6.200 3.438 2.674 4.354 . 0 0 "[ . 1 .]" 1
345 1 115 THR MG 1 117 ILE MD 3.600 . 5.600 3.099 2.257 3.649 . 0 0 "[ . 1 .]" 1
346 1 32 VAL HA 1 32 VAL MG2 3.400 . 5.400 2.277 2.149 2.345 . 0 0 "[ . 1 .]" 1
347 1 32 VAL MG2 1 34 LYS H 5.300 . 7.300 5.107 4.741 5.679 . 0 0 "[ . 1 .]" 1
348 1 32 VAL MG2 1 33 LYS HA 4.800 . 6.800 3.646 3.307 3.914 . 0 0 "[ . 1 .]" 1
349 1 32 VAL MG2 1 36 THR HB 5.100 . 7.100 3.773 2.916 4.569 . 0 0 "[ . 1 .]" 1
350 1 32 VAL H 1 32 VAL MG2 3.800 . 5.800 3.742 3.717 3.757 . 0 0 "[ . 1 .]" 1
351 1 86 LEU HB2 1 86 LEU MD2 3.200 . 5.200 2.514 2.302 3.188 . 0 0 "[ . 1 .]" 1
352 1 86 LEU HB3 1 86 LEU MD2 3.200 . 5.200 2.686 2.159 3.223 . 0 0 "[ . 1 .]" 1
353 1 86 LEU MD2 1 87 CYS H 5.000 . 7.000 4.657 4.297 4.971 . 0 0 "[ . 1 .]" 1
354 1 63 VAL MG1 1 77 ALA H 5.100 . 7.100 4.707 4.215 4.975 . 0 0 "[ . 1 .]" 1
355 1 32 VAL MG2 1 36 THR H 4.100 . 6.100 3.974 3.683 4.421 . 0 0 "[ . 1 .]" 1
356 1 86 LEU H 1 86 LEU MD2 4.000 . 6.000 3.286 2.318 4.232 . 0 0 "[ . 1 .]" 1
357 1 76 VAL MG2 1 77 ALA H 4.300 . 6.300 3.140 1.873 3.999 . 0 0 "[ . 1 .]" 1
358 1 63 VAL MG1 1 77 ALA MB 4.100 . 6.100 3.424 2.023 3.783 . 0 0 "[ . 1 .]" 1
359 1 63 VAL H 1 63 VAL MG1 3.900 . 5.900 3.657 2.635 3.791 . 0 0 "[ . 1 .]" 1
360 1 63 VAL MG1 1 82 GLU HB3 5.500 . 7.500 4.953 4.213 5.229 . 0 0 "[ . 1 .]" 1
361 1 7 VAL MG1 1 8 ALA H 4.400 . 6.400 3.602 2.134 4.258 . 0 0 "[ . 1 .]" 1
362 1 76 VAL H 1 76 VAL MG2 3.900 . 5.900 2.997 2.011 3.798 . 0 0 "[ . 1 .]" 1
363 1 35 THR MG 1 36 THR MG 3.400 . 5.400 2.839 1.974 3.376 . 0 0 "[ . 1 .]" 1
364 1 157 VAL MG1 1 158 TYR H 4.400 . 6.400 2.848 2.224 3.060 . 0 0 "[ . 1 .]" 1
365 1 62 ILE MD 1 71 VAL MG1 3.000 . 5.000 2.622 2.197 3.350 . 0 0 "[ . 1 .]" 1
366 1 139 PHE HB2 1 157 VAL MG1 3.900 . 5.900 3.718 3.378 4.145 . 0 0 "[ . 1 .]" 1
367 1 157 VAL H 1 157 VAL MG1 4.000 . 6.000 3.850 3.781 3.932 . 0 0 "[ . 1 .]" 1
368 1 35 THR MG 1 36 THR H 3.700 . 5.700 2.512 2.004 3.156 . 0 0 "[ . 1 .]" 1
369 1 99 ALA H 1 125 THR MG 3.800 . 5.800 3.809 3.242 4.182 . 0 0 "[ . 1 .]" 1
370 1 139 PHE HB3 1 157 VAL MG1 4.300 . 6.300 3.109 2.805 3.447 . 0 0 "[ . 1 .]" 1
371 1 99 ALA MB 1 125 THR MG 2.700 . 4.700 2.295 1.832 2.851 . 0 0 "[ . 1 .]" 1
372 1 32 VAL HA 1 32 VAL MG1 3.200 . 5.200 3.185 3.181 3.196 . 0 0 "[ . 1 .]" 1
373 1 32 VAL MG1 1 33 LYS H 3.700 . 5.700 1.801 1.646 2.020 0.154 8 0 "[ . 1 .]" 1
374 1 71 VAL MG1 1 72 GLU H 4.400 . 6.400 2.966 2.768 3.105 . 0 0 "[ . 1 .]" 1
375 1 125 THR MG 1 126 PHE H 3.600 . 5.600 3.051 2.617 3.553 . 0 0 "[ . 1 .]" 1
376 1 152 THR MG 1 153 TYR H 3.100 . 5.100 2.417 1.804 2.976 . 0 0 "[ . 1 .]" 1
377 1 35 THR MG 1 36 THR HB 3.800 . 5.800 3.344 2.610 4.584 . 0 0 "[ . 1 .]" 1
378 1 71 VAL H 1 71 VAL MG1 3.900 . 5.900 3.857 3.756 3.941 . 0 0 "[ . 1 .]" 1
379 1 35 THR H 1 35 THR MG 3.700 . 5.700 2.885 2.100 3.762 . 0 0 "[ . 1 .]" 1
380 1 32 VAL MG1 1 33 LYS HA 4.300 . 6.300 3.102 2.940 3.345 . 0 0 "[ . 1 .]" 1
381 1 142 LYS QG 1 152 THR MG 5.100 . 7.100 5.067 4.224 5.303 . 0 0 "[ . 1 .]" 1
382 1 143 GLY H 1 152 THR MG 4.900 . 6.900 3.928 3.046 4.729 . 0 0 "[ . 1 .]" 1
383 1 83 VAL HA 1 83 VAL MG2 3.300 . 5.300 2.364 2.206 2.482 . 0 0 "[ . 1 .]" 1
384 1 80 VAL H 1 80 VAL MG1 3.900 . 5.900 2.261 1.694 3.695 0.106 3 0 "[ . 1 .]" 1
385 1 80 VAL MG1 1 82 GLU H 5.000 . 7.000 4.608 4.404 4.766 . 0 0 "[ . 1 .]" 1
386 1 138 VAL MG1 1 139 PHE H 4.500 . 6.500 3.573 2.140 4.221 . 0 0 "[ . 1 .]" 1
387 1 62 ILE MD 1 71 VAL MG2 3.000 . 5.000 2.101 1.862 2.365 . 0 0 "[ . 1 .]" 1
388 1 71 VAL MG2 1 72 GLU H 4.400 . 6.400 4.172 4.016 4.352 . 0 0 "[ . 1 .]" 1
389 1 133 THR MG 1 134 ASN H 3.300 . 5.300 2.011 1.662 2.655 0.138 13 0 "[ . 1 .]" 1
390 1 140 VAL H 1 140 VAL MG1 3.900 . 5.900 2.724 2.043 3.954 . 0 0 "[ . 1 .]" 1
391 1 76 VAL H 1 76 VAL MG1 3.900 . 5.900 2.982 1.720 3.813 0.080 2 0 "[ . 1 .]" 1
392 1 133 THR MG 1 134 ASN HB2 5.000 . 7.000 3.955 2.366 4.539 . 0 0 "[ . 1 .]" 1
393 1 133 THR MG 1 134 ASN HB3 5.000 . 7.000 4.546 3.876 4.921 . 0 0 "[ . 1 .]" 1
394 1 133 THR H 1 133 THR MG 3.100 . 5.100 2.013 1.700 2.419 0.100 6 0 "[ . 1 .]" 1
395 1 140 VAL MG1 1 141 GLU H 4.300 . 6.300 3.488 2.212 4.210 . 0 0 "[ . 1 .]" 1
396 1 80 VAL HA 1 80 VAL MG2 3.300 . 5.300 2.419 2.294 2.569 . 0 0 "[ . 1 .]" 1
397 1 80 VAL MG2 1 82 GLU H 5.000 . 7.000 4.975 4.776 5.209 . 0 0 "[ . 1 .]" 1
398 1 36 THR MG 1 37 MET H 4.200 . 6.200 3.142 1.946 4.251 . 0 0 "[ . 1 .]" 1
399 1 157 VAL MG2 1 158 TYR H 4.400 . 6.400 4.137 3.996 4.242 . 0 0 "[ . 1 .]" 1
400 1 157 VAL H 1 157 VAL MG2 4.000 . 6.000 2.611 2.385 2.886 . 0 0 "[ . 1 .]" 1
401 1 32 VAL MG1 1 36 THR MG 4.000 . 7.000 3.689 3.113 4.122 . 0 0 "[ . 1 .]" 1
402 1 139 PHE HB2 1 157 VAL MG2 3.900 . 5.900 3.712 3.430 3.924 . 0 0 "[ . 1 .]" 1
403 1 101 ILE MD 1 101 ILE MG 3.100 . 5.100 1.826 1.693 2.161 0.107 11 0 "[ . 1 .]" 1
404 1 33 LYS HA 1 36 THR MG 3.800 . 5.800 2.906 2.002 4.142 . 0 0 "[ . 1 .]" 1
405 1 36 THR H 1 36 THR MG 3.200 . 5.200 2.211 1.687 2.850 0.113 15 0 "[ . 1 .]" 1
406 1 101 ILE H 1 101 ILE MG 4.000 . 6.000 3.730 3.608 3.768 . 0 0 "[ . 1 .]" 1
407 1 8 ALA MB 1 9 MET H 3.800 . 5.800 2.434 1.968 3.212 . 0 0 "[ . 1 .]" 1
408 1 8 ALA MB 1 115 THR H 4.500 . 6.500 4.091 3.797 4.413 . 0 0 "[ . 1 .]" 1
409 1 33 LYS H 1 36 THR MG 5.000 . 7.000 4.359 3.763 5.033 . 0 0 "[ . 1 .]" 1
410 1 98 GLY H 1 101 ILE MG 3.800 . 5.800 3.125 2.588 3.358 . 0 0 "[ . 1 .]" 1
411 1 35 THR H 1 36 THR MG 4.400 . 6.400 3.807 3.415 4.221 . 0 0 "[ . 1 .]" 1
412 1 32 VAL MG2 1 36 THR MG 4.100 . 6.100 2.489 2.018 3.140 . 0 0 "[ . 1 .]" 1
413 1 32 VAL H 1 36 THR MG 5.500 . 7.500 5.545 5.362 5.852 . 0 0 "[ . 1 .]" 1
414 1 101 ILE MG 1 102 TYR H 4.000 . 6.000 3.563 2.891 3.950 . 0 0 "[ . 1 .]" 1
415 1 63 VAL MG2 1 64 THR H 4.200 . 6.200 3.945 3.794 4.107 . 0 0 "[ . 1 .]" 1
416 1 120 ALA MB 1 122 GLU H 5.500 . 7.500 5.051 4.572 5.366 . 0 0 "[ . 1 .]" 1
417 1 117 ILE MG 1 120 ALA MB 5.000 . 8.000 4.107 3.535 4.954 . 0 0 "[ . 1 .]" 1
418 1 42 ILE MG 1 63 VAL H 4.300 . 6.300 3.609 3.328 3.785 . 0 0 "[ . 1 .]" 1
419 1 12 ASN HB3 1 120 ALA MB 3.900 . 5.900 3.438 2.472 3.877 . 0 0 "[ . 1 .]" 1
420 1 120 ALA MB 1 121 PHE H 3.200 . 5.200 2.827 2.532 3.134 . 0 0 "[ . 1 .]" 1
421 1 12 ASN HB2 1 120 ALA MB 3.900 . 5.900 2.337 1.974 4.433 . 0 0 "[ . 1 .]" 1
422 1 120 ALA H 1 120 ALA MB 2.900 . 4.900 2.780 2.494 2.856 . 0 0 "[ . 1 .]" 1
423 1 11 GLU QG 1 120 ALA MB 3.200 . 5.200 2.345 2.088 2.628 . 0 0 "[ . 1 .]" 1
424 1 12 ASN H 1 120 ALA MB 4.300 . 6.300 2.221 1.782 3.311 0.018 9 0 "[ . 1 .]" 1
425 1 42 ILE MG 1 43 MET H 3.500 . 5.500 2.816 2.209 3.229 . 0 0 "[ . 1 .]" 1
426 1 42 ILE H 1 42 ILE MG 4.000 . 6.000 3.715 3.658 3.777 . 0 0 "[ . 1 .]" 1
427 1 42 ILE HG13 1 42 ILE MG 2.800 . 4.800 2.619 2.417 2.806 . 0 0 "[ . 1 .]" 1
428 1 42 ILE MG 1 43 MET QB 4.800 . 6.800 4.562 4.339 4.787 . 0 0 "[ . 1 .]" 1
429 1 42 ILE MG 1 83 VAL HB 4.600 . 6.600 4.592 4.257 4.847 . 0 0 "[ . 1 .]" 1
430 1 42 ILE HG12 1 42 ILE MG 3.100 . 5.100 2.128 1.986 2.295 . 0 0 "[ . 1 .]" 1
431 1 99 ALA MB 1 127 PHE QD 5.500 . 7.500 4.648 3.063 5.766 . 0 0 "[ . 1 .]" 1
432 1 99 ALA MB 1 100 GLN H 3.600 . 5.600 2.285 2.049 2.546 . 0 0 "[ . 1 .]" 1
433 1 99 ALA MB 1 125 THR HB 4.500 . 6.500 4.086 3.605 4.442 . 0 0 "[ . 1 .]" 1
434 1 99 ALA MB 1 100 GLN HB3 4.100 . 6.100 3.910 3.669 4.206 . 0 0 "[ . 1 .]" 1
435 1 99 ALA H 1 99 ALA MB 3.100 . 5.100 2.101 2.036 2.247 . 0 0 "[ . 1 .]" 1
436 1 15 ILE H 1 99 ALA MB 4.900 . 6.900 5.112 4.723 5.549 . 0 0 "[ . 1 .]" 1
437 1 99 ALA MB 1 102 TYR H 5.300 . 7.300 4.614 4.341 4.896 . 0 0 "[ . 1 .]" 1
438 1 15 ILE MD 1 99 ALA MB 3.100 . 5.100 2.102 1.826 2.873 . 0 0 "[ . 1 .]" 1
439 1 64 THR MG 1 78 HIS HA 4.900 . 6.900 4.487 4.130 4.865 . 0 0 "[ . 1 .]" 1
440 1 99 ALA MB 1 101 ILE H 4.400 . 6.400 4.323 4.157 4.497 . 0 0 "[ . 1 .]" 1
441 1 64 THR MG 1 66 ASN H 3.500 . 5.500 3.821 3.287 4.248 . 0 0 "[ . 1 .]" 1
442 1 64 THR H 1 64 THR MG 3.000 . 5.000 2.345 2.165 2.560 . 0 0 "[ . 1 .]" 1
443 1 64 THR MG 1 66 ASN HB3 4.700 . 6.700 4.448 4.188 4.986 . 0 0 "[ . 1 .]" 1
444 1 95 ILE MG 1 96 PHE H 3.600 . 5.600 2.651 2.340 3.049 . 0 0 "[ . 1 .]" 1
445 1 95 ILE MG 1 105 PHE QE 4.000 . 7.000 3.607 2.479 4.509 . 0 0 "[ . 1 .]" 1
446 1 95 ILE H 1 95 ILE MG 4.100 . 6.100 3.861 3.809 3.913 . 0 0 "[ . 1 .]" 1
447 1 7 VAL MG2 1 8 ALA H 4.400 . 6.400 2.506 2.021 3.941 . 0 0 "[ . 1 .]" 1
448 1 6 MET HA 1 7 VAL MG2 5.500 . 7.500 5.067 3.418 5.579 . 0 0 "[ . 1 .]" 1
449 1 140 VAL H 1 140 VAL MG2 3.900 . 5.900 3.537 2.663 3.946 . 0 0 "[ . 1 .]" 1
450 1 140 VAL MG2 1 141 GLU H 4.300 . 6.300 3.074 2.223 4.129 . 0 0 "[ . 1 .]" 1
451 1 19 ASN H 1 50 ALA MB 5.500 . 7.500 5.101 3.733 5.641 . 0 0 "[ . 1 .]" 1
452 1 49 GLU H 1 50 ALA MB 4.700 . 6.700 4.309 4.136 4.652 . 0 0 "[ . 1 .]" 1
453 1 50 ALA H 1 50 ALA MB 3.000 . 5.000 2.162 2.050 2.271 . 0 0 "[ . 1 .]" 1
454 1 50 ALA MB 1 51 ILE H 3.400 . 5.400 2.520 2.333 2.822 . 0 0 "[ . 1 .]" 1
455 1 50 ALA MB 1 51 ILE HA 4.200 . 6.200 3.749 3.663 3.811 . 0 0 "[ . 1 .]" 1
456 1 48 TYR H 1 50 ALA MB 5.300 . 7.300 4.827 4.362 5.536 . 0 0 "[ . 1 .]" 1
457 1 50 ALA MB 1 52 GLY H 5.500 . 7.500 4.579 4.271 4.942 . 0 0 "[ . 1 .]" 1
458 1 49 GLU HA 1 50 ALA MB 5.100 . 7.100 5.005 4.974 5.048 . 0 0 "[ . 1 .]" 1
459 1 19 ASN HB3 1 50 ALA MB 5.100 . 7.100 3.899 2.775 5.366 . 0 0 "[ . 1 .]" 1
460 1 19 ASN HB2 1 50 ALA MB 5.100 . 7.100 4.285 3.082 5.019 . 0 0 "[ . 1 .]" 1
461 1 47 ASN QB 1 50 ALA MB 5.400 . 7.400 4.351 3.728 5.208 . 0 0 "[ . 1 .]" 1
462 1 109 VAL H 1 109 VAL MG2 4.000 . 6.000 3.242 1.853 3.806 . 0 0 "[ . 1 .]" 1
463 1 138 VAL MG2 1 158 TYR HA 5.200 . 7.200 4.022 3.014 5.904 . 0 0 "[ . 1 .]" 1
464 1 15 ILE MG 1 16 GLY H 4.300 . 6.300 3.914 3.652 4.320 . 0 0 "[ . 1 .]" 1
465 1 90 GLU H 1 93 ILE MG 3.500 . 5.500 3.267 3.035 3.520 . 0 0 "[ . 1 .]" 1
466 1 8 ALA H 1 15 ILE MG 3.700 . 5.700 2.826 2.309 3.363 . 0 0 "[ . 1 .]" 1
467 1 15 ILE H 1 15 ILE MG 4.100 . 6.100 3.242 2.991 3.485 . 0 0 "[ . 1 .]" 1
468 1 7 VAL MG1 1 15 ILE MG 4.300 . 6.300 3.824 2.246 4.414 . 0 0 "[ . 1 .]" 1
469 1 9 MET HA 1 15 ILE MG 4.500 . 6.500 3.404 3.106 3.766 . 0 0 "[ . 1 .]" 1
470 1 14 VAL HA 1 15 ILE MG 4.200 . 6.200 3.806 3.671 4.106 . 0 0 "[ . 1 .]" 1
471 1 88 LYS H 1 93 ILE MG 5.000 . 7.000 5.307 4.994 5.557 . 0 0 "[ . 1 .]" 1
472 1 7 VAL MG2 1 15 ILE MG 4.300 . 6.300 2.485 1.863 4.215 . 0 0 "[ . 1 .]" 1
473 1 138 VAL H 1 138 VAL MG2 3.800 . 5.800 2.464 1.872 3.785 . 0 0 "[ . 1 .]" 1
474 1 93 ILE H 1 93 ILE MG 3.300 . 5.300 2.995 2.737 3.487 . 0 0 "[ . 1 .]" 1
475 1 93 ILE MG 1 94 PHE QD 5.300 . 8.300 4.915 4.570 5.412 . 0 0 "[ . 1 .]" 1
476 1 117 ILE MG 1 153 TYR HE2 4.500 . 6.500 4.936 4.398 6.785 0.285 4 0 "[ . 1 .]" 1
477 1 62 ILE MG 1 63 VAL H 4.100 . 6.100 3.704 3.529 3.889 . 0 0 "[ . 1 .]" 1
478 1 62 ILE MD 1 62 ILE MG 2.800 . 4.800 1.902 1.640 2.148 0.160 11 0 "[ . 1 .]" 1
479 1 93 ILE MG 1 95 ILE MD 4.300 . 7.300 4.324 3.833 4.926 . 0 0 "[ . 1 .]" 1
480 1 48 TYR HB3 1 62 ILE MG 3.600 . 5.600 2.448 2.104 2.851 . 0 0 "[ . 1 .]" 1
481 1 45 ARG HA 1 62 ILE MG 3.600 . 5.600 2.939 2.679 3.235 . 0 0 "[ . 1 .]" 1
482 1 43 MET QB 1 62 ILE MG 3.400 . 5.400 2.570 2.190 2.821 . 0 0 "[ . 1 .]" 1
483 1 117 ILE MG 1 153 TYR QD 3.500 . 5.500 2.899 2.428 3.482 . 0 0 "[ . 1 .]" 1
484 1 117 ILE MG 1 118 HIS H 3.700 . 5.700 2.447 2.008 2.748 . 0 0 "[ . 1 .]" 1
485 1 62 ILE HG13 1 62 ILE MG 3.400 . 5.400 3.188 3.174 3.196 . 0 0 "[ . 1 .]" 1
486 1 48 TYR HB2 1 62 ILE MG 3.600 . 5.600 2.117 1.922 2.511 . 0 0 "[ . 1 .]" 1
487 1 2 ILE MG 1 111 LYS H 4.000 . 6.000 4.121 3.795 4.480 . 0 0 "[ . 1 .]" 1
488 1 2 ILE MG 1 110 ASP H 4.800 . 6.800 4.894 4.776 5.064 . 0 0 "[ . 1 .]" 1
489 1 114 ILE MG 1 115 THR H 3.600 . 5.600 2.482 2.271 2.845 . 0 0 "[ . 1 .]" 1
490 1 2 ILE MG 1 4 SER H 4.100 . 6.100 3.887 3.480 4.266 . 0 0 "[ . 1 .]" 1
491 1 51 ILE MG 1 52 GLY H 3.500 . 5.500 3.103 2.411 3.590 . 0 0 "[ . 1 .]" 1
492 1 2 ILE MG 1 4 SER HA 4.700 . 6.700 4.320 4.076 4.535 . 0 0 "[ . 1 .]" 1
493 1 51 ILE HA 1 51 ILE MG 3.000 . 5.000 2.429 2.260 2.697 . 0 0 "[ . 1 .]" 1
494 1 2 ILE H 1 2 ILE MG 4.000 . 6.000 3.873 3.823 3.911 . 0 0 "[ . 1 .]" 1
495 1 114 ILE H 1 114 ILE MG 4.000 . 6.000 3.906 3.825 3.953 . 0 0 "[ . 1 .]" 1
496 1 114 ILE MG 1 116 LYS H 4.700 . 6.700 4.300 3.828 4.691 . 0 0 "[ . 1 .]" 1
497 1 2 ILE MG 1 110 ASP QB 2.900 . 4.900 3.131 2.833 3.368 . 0 0 "[ . 1 .]" 1
498 1 51 ILE H 1 51 ILE MG 3.800 . 5.800 3.693 3.549 3.751 . 0 0 "[ . 1 .]" 1
499 1 61 ILE HG13 1 61 ILE MG 3.400 . 5.400 2.755 2.429 3.092 . 0 0 "[ . 1 .]" 1
500 1 61 ILE MG 1 75 GLU H 4.300 . 6.300 4.119 3.939 4.571 . 0 0 "[ . 1 .]" 1
501 1 61 ILE MG 1 62 ILE H 3.500 . 5.500 2.651 2.387 2.883 . 0 0 "[ . 1 .]" 1
502 1 48 TYR H 1 51 ILE MD 4.500 . 6.500 4.233 3.721 4.724 . 0 0 "[ . 1 .]" 1
503 1 51 ILE MD 1 52 GLY H 4.900 . 6.900 4.241 3.793 4.583 . 0 0 "[ . 1 .]" 1
504 1 51 ILE HA 1 51 ILE MD 4.000 . 6.000 3.472 2.174 3.914 . 0 0 "[ . 1 .]" 1
505 1 51 ILE H 1 51 ILE MD 3.500 . 5.500 3.053 1.744 3.623 0.056 14 0 "[ . 1 .]" 1
506 1 49 GLU H 1 51 ILE MD 5.500 . 7.500 5.319 4.673 5.778 . 0 0 "[ . 1 .]" 1
507 1 51 ILE HB 1 51 ILE MD 3.100 . 5.100 2.256 2.105 2.400 . 0 0 "[ . 1 .]" 1
508 1 62 ILE MD 1 77 ALA H 5.300 . 7.300 4.773 4.558 5.030 . 0 0 "[ . 1 .]" 1
509 1 42 ILE MD 1 94 PHE H 4.000 . 6.000 3.799 3.366 4.136 . 0 0 "[ . 1 .]" 1
510 1 48 TYR HB3 1 62 ILE MD 4.200 . 6.200 3.322 2.876 3.838 . 0 0 "[ . 1 .]" 1
511 1 62 ILE MD 1 74 CYS HB2 3.300 . 5.300 3.201 2.354 3.720 . 0 0 "[ . 1 .]" 1
512 1 62 ILE HB 1 62 ILE MD 2.800 . 4.800 2.268 2.145 2.401 . 0 0 "[ . 1 .]" 1
513 1 48 TYR HB2 1 62 ILE MD 4.200 . 6.200 3.733 3.252 4.389 . 0 0 "[ . 1 .]" 1
514 1 62 ILE H 1 62 ILE MD 3.800 . 5.800 3.629 3.532 3.795 . 0 0 "[ . 1 .]" 1
515 1 62 ILE MD 1 74 CYS HB3 3.300 . 5.300 2.620 2.207 3.603 . 0 0 "[ . 1 .]" 1
516 1 48 TYR H 1 62 ILE MD 5.100 . 7.100 5.123 4.726 5.513 . 0 0 "[ . 1 .]" 1
517 1 62 ILE MD 1 75 GLU H 5.400 . 7.400 4.701 4.503 4.958 . 0 0 "[ . 1 .]" 1
518 1 42 ILE MD 1 95 ILE MD 3.200 . 5.200 2.214 1.930 2.665 . 0 0 "[ . 1 .]" 1
519 1 42 ILE H 1 42 ILE MD 3.300 . 5.300 2.001 1.708 2.289 0.092 4 0 "[ . 1 .]" 1
520 1 15 ILE MD 1 102 TYR QB 5.100 . 7.100 4.874 4.397 5.321 . 0 0 "[ . 1 .]" 1
521 1 8 ALA H 1 15 ILE MD 4.800 . 6.800 4.725 3.935 5.473 . 0 0 "[ . 1 .]" 1
522 1 15 ILE HB 1 15 ILE MD 3.400 . 5.400 2.392 2.101 2.906 . 0 0 "[ . 1 .]" 1
523 1 15 ILE MD 1 99 ALA H 3.400 . 5.400 2.351 1.704 3.329 0.096 14 0 "[ . 1 .]" 1
524 1 15 ILE H 1 15 ILE MD 4.000 . 6.000 3.954 3.039 4.250 . 0 0 "[ . 1 .]" 1
525 1 60 ASN H 1 61 ILE MD 4.500 . 6.500 4.235 3.134 4.941 . 0 0 "[ . 1 .]" 1
526 1 61 ILE HB 1 61 ILE MD 2.800 . 4.800 2.424 2.114 3.207 . 0 0 "[ . 1 .]" 1
527 1 112 LEU HB3 1 114 ILE MD 3.100 . 5.100 2.999 1.914 3.834 . 0 0 "[ . 1 .]" 1
528 1 114 ILE HB 1 114 ILE MD 2.700 . 4.700 2.115 2.070 2.211 . 0 0 "[ . 1 .]" 1
529 1 88 LYS H 1 93 ILE MD 4.900 . 6.900 4.717 4.057 5.052 . 0 0 "[ . 1 .]" 1
530 1 3 VAL H 1 93 ILE MD 4.900 . 6.900 4.391 3.690 5.151 . 0 0 "[ . 1 .]" 1
531 1 114 ILE MD 1 115 THR H 5.100 . 7.100 4.999 4.780 5.384 . 0 0 "[ . 1 .]" 1
532 1 87 CYS HB2 1 93 ILE MD 4.200 . 6.200 3.808 2.243 4.457 . 0 0 "[ . 1 .]" 1
533 1 90 GLU H 1 93 ILE MD 4.400 . 6.400 3.818 3.199 4.848 . 0 0 "[ . 1 .]" 1
534 1 114 ILE MD 1 158 TYR QD 3.600 . 5.600 2.417 1.937 3.558 . 0 0 "[ . 1 .]" 1
535 1 4 SER H 1 93 ILE MD 4.500 . 6.500 4.337 3.775 4.858 . 0 0 "[ . 1 .]" 1
536 1 87 CYS HB3 1 93 ILE MD 4.200 . 6.200 2.987 2.114 4.691 . 0 0 "[ . 1 .]" 1
537 1 93 ILE HB 1 93 ILE MD 3.300 . 5.300 2.919 2.149 3.175 . 0 0 "[ . 1 .]" 1
538 1 93 ILE H 1 93 ILE MD 3.700 . 5.700 2.490 1.799 3.887 0.001 10 0 "[ . 1 .]" 1
539 1 114 ILE H 1 114 ILE MD 4.200 . 6.200 2.315 1.767 3.178 0.033 9 0 "[ . 1 .]" 1
540 1 112 LEU H 1 114 ILE MD 5.100 . 7.100 4.983 4.393 5.589 . 0 0 "[ . 1 .]" 1
541 1 114 ILE MD 1 158 TYR H 4.300 . 6.300 3.605 2.937 4.404 . 0 0 "[ . 1 .]" 1
542 1 2 ILE H 1 2 ILE MD 4.300 . 6.300 3.890 2.617 4.170 . 0 0 "[ . 1 .]" 1
543 1 98 GLY H 1 101 ILE MD 5.000 . 7.000 4.161 2.455 4.662 . 0 0 "[ . 1 .]" 1
544 1 46 LYS H 1 101 ILE MD 5.400 . 7.400 5.758 4.767 6.070 . 0 0 "[ . 1 .]" 1
545 1 100 GLN HG3 1 101 ILE MD 4.500 . 7.500 3.450 2.344 4.532 . 0 0 "[ . 1 .]" 1
546 1 44 GLY QA 1 101 ILE MD 5.300 . 7.300 3.274 2.243 3.679 . 0 0 "[ . 1 .]" 1
547 1 98 GLY HA3 1 101 ILE MD 5.500 . 7.500 4.753 3.051 5.437 . 0 0 "[ . 1 .]" 1
548 1 63 VAL H 1 101 ILE MD 5.500 . 7.500 5.070 4.371 5.917 . 0 0 "[ . 1 .]" 1
549 1 100 GLN HG2 1 101 ILE MD 4.400 . 7.900 3.955 3.374 5.263 . 0 0 "[ . 1 .]" 1
550 1 101 ILE H 1 101 ILE MD 3.500 . 5.500 3.378 2.690 3.820 . 0 0 "[ . 1 .]" 1
551 1 101 ILE HB 1 101 ILE MD 3.100 . 5.100 3.023 2.150 3.196 . 0 0 "[ . 1 .]" 1
552 1 45 ARG H 1 101 ILE MD 4.400 . 6.400 4.649 3.528 5.167 . 0 0 "[ . 1 .]" 1
553 1 101 ILE MD 1 102 TYR H 4.800 . 6.800 4.666 4.387 4.958 . 0 0 "[ . 1 .]" 1
554 1 117 ILE MD 1 153 TYR HB3 4.200 . 6.200 3.626 2.369 3.917 . 0 0 "[ . 1 .]" 1
555 1 117 ILE MD 1 153 TYR HE2 4.700 . 6.700 5.441 4.910 6.035 . 0 0 "[ . 1 .]" 1
556 1 117 ILE MD 1 153 TYR QD 3.500 . 5.500 3.941 3.294 4.202 . 0 0 "[ . 1 .]" 1
557 1 117 ILE MD 1 117 ILE MG 2.800 . 4.800 1.994 1.634 2.486 0.166 12 0 "[ . 1 .]" 1
558 1 117 ILE HB 1 117 ILE MD 3.000 . 5.000 2.350 2.100 3.198 . 0 0 "[ . 1 .]" 1
559 1 8 ALA MB 1 117 ILE MD 3.400 . 5.400 2.764 2.394 3.297 . 0 0 "[ . 1 .]" 1
560 1 117 ILE MD 1 153 TYR HB2 4.200 . 6.200 4.212 3.001 4.586 . 0 0 "[ . 1 .]" 1
561 1 117 ILE MD 1 154 TYR H 5.500 . 7.500 5.481 3.781 5.844 . 0 0 "[ . 1 .]" 1
562 1 94 PHE H 1 95 ILE MD 4.800 . 6.800 4.324 3.341 5.669 . 0 0 "[ . 1 .]" 1
563 1 95 ILE MD 1 96 PHE QB 5.400 . 8.400 5.510 5.043 6.161 . 0 0 "[ . 1 .]" 1
564 1 42 ILE H 1 95 ILE MD 4.000 . 6.000 3.419 2.859 4.320 . 0 0 "[ . 1 .]" 1
565 1 42 ILE HG12 1 95 ILE MD 3.300 . 5.300 3.047 2.690 3.604 . 0 0 "[ . 1 .]" 1
566 1 95 ILE MD 1 96 PHE H 3.900 . 5.900 3.972 3.465 4.671 . 0 0 "[ . 1 .]" 1
567 1 95 ILE MD 1 95 ILE MG 2.800 . 4.800 1.782 1.649 1.953 0.151 7 0 "[ . 1 .]" 1
568 1 42 ILE HB 1 95 ILE MD 3.000 . 5.000 2.173 1.959 2.372 . 0 0 "[ . 1 .]" 1
569 1 95 ILE H 1 95 ILE MD 3.900 . 5.900 3.632 3.159 4.387 . 0 0 "[ . 1 .]" 1
570 1 43 MET H 1 95 ILE MD 5.500 . 7.500 5.880 5.635 6.053 . 0 0 "[ . 1 .]" 1
571 1 95 ILE HB 1 96 PHE H 5.000 . 7.000 4.096 3.885 4.307 . 0 0 "[ . 1 .]" 1
572 1 42 ILE MD 1 96 PHE H 5.100 . 7.100 4.382 4.092 4.734 . 0 0 "[ . 1 .]" 1
573 1 7 VAL H 1 113 TYR HB2 5.100 . 7.100 4.010 3.481 5.904 . 0 0 "[ . 1 .]" 1
574 1 7 VAL H 1 114 ILE HG13 5.000 . 7.000 4.023 3.392 4.586 . 0 0 "[ . 1 .]" 1
575 1 7 VAL H 1 8 ALA HA 4.800 . 6.800 4.792 4.713 4.918 . 0 0 "[ . 1 .]" 1
576 1 7 VAL H 1 113 TYR HB3 5.100 . 7.100 4.606 3.791 5.308 . 0 0 "[ . 1 .]" 1
577 1 6 MET H 1 7 VAL H 5.100 . 7.100 4.148 3.729 4.427 . 0 0 "[ . 1 .]" 1
578 1 7 VAL H 1 8 ALA MB 5.500 . 7.500 5.303 5.153 5.477 . 0 0 "[ . 1 .]" 1
579 1 118 HIS H 1 118 HIS HB3 3.900 . 5.900 2.753 2.432 3.572 . 0 0 "[ . 1 .]" 1
580 1 117 ILE HB 1 118 HIS H 4.000 . 6.000 4.129 3.833 4.337 . 0 0 "[ . 1 .]" 1
581 1 118 HIS H 1 118 HIS HB2 3.900 . 5.900 2.608 2.263 3.644 . 0 0 "[ . 1 .]" 1
582 1 118 HIS H 1 153 TYR HA 4.300 . 6.300 2.872 2.476 3.231 . 0 0 "[ . 1 .]" 1
583 1 117 ILE MD 1 118 HIS H 5.000 . 7.000 4.948 3.864 5.221 . 0 0 "[ . 1 .]" 1
584 1 17 LYS HD3 1 18 ASP H 4.300 . 6.300 4.088 2.943 5.044 . 0 0 "[ . 1 .]" 1
585 1 18 ASP H 1 125 THR H 5.400 . 7.400 5.749 5.340 6.493 . 0 0 "[ . 1 .]" 1
586 1 18 ASP H 1 18 ASP HB3 4.000 . 6.000 3.222 2.798 3.949 . 0 0 "[ . 1 .]" 1
587 1 17 LYS HB3 1 18 ASP H 5.100 . 7.100 3.443 1.845 4.105 . 0 0 "[ . 1 .]" 1
588 1 8 ALA H 1 15 ILE HA 5.200 . 7.200 4.581 3.773 4.984 . 0 0 "[ . 1 .]" 1
589 1 7 VAL H 1 8 ALA H 5.200 . 7.200 4.393 4.352 4.449 . 0 0 "[ . 1 .]" 1
590 1 112 LEU MD2 1 135 TRP HE1 5.500 . 7.500 4.693 3.834 5.963 . 0 0 "[ . 1 .]" 1
591 1 135 TRP HE1 1 160 LYS HG2 5.500 . 7.500 4.872 4.135 6.191 . 0 0 "[ . 1 .]" 1
592 1 135 TRP HA 1 135 TRP HE1 5.200 . 7.200 4.939 4.611 5.227 . 0 0 "[ . 1 .]" 1
593 1 136 LYS QD 1 137 GLU H 4.300 . 6.300 2.700 1.686 4.496 0.114 2 0 "[ . 1 .]" 1
594 1 137 GLU H 1 158 TYR QD 5.000 . 7.000 4.163 3.074 5.029 . 0 0 "[ . 1 .]" 1
595 1 137 GLU H 1 158 TYR HA 5.000 . 7.000 4.729 4.482 5.140 . 0 0 "[ . 1 .]" 1
596 1 62 ILE H 1 77 ALA H 4.500 . 6.500 4.215 3.814 4.703 . 0 0 "[ . 1 .]" 1
597 1 61 ILE H 1 62 ILE H 4.500 . 6.500 4.356 4.261 4.449 . 0 0 "[ . 1 .]" 1
598 1 62 ILE H 1 76 VAL HA 4.000 . 6.000 3.432 3.130 3.631 . 0 0 "[ . 1 .]" 1
599 1 62 ILE H 1 62 ILE HG12 3.300 . 5.300 1.957 1.778 2.151 0.022 4 0 "[ . 1 .]" 1
600 1 116 LYS H 1 154 TYR QD 5.200 . 7.200 4.805 4.236 5.195 . 0 0 "[ . 1 .]" 1
601 1 116 LYS H 1 116 LYS QE 5.500 . 7.500 4.903 3.962 5.814 . 0 0 "[ . 1 .]" 1
602 1 116 LYS H 1 116 LYS QD 4.600 . 6.600 4.386 3.759 4.674 . 0 0 "[ . 1 .]" 1
603 1 9 MET H 1 116 LYS H 5.200 . 7.200 4.933 4.428 5.359 . 0 0 "[ . 1 .]" 1
604 1 116 LYS H 1 117 ILE H 5.400 . 7.400 4.496 4.294 4.600 . 0 0 "[ . 1 .]" 1
605 1 115 THR MG 1 116 LYS H 4.200 . 6.200 3.538 2.453 4.235 . 0 0 "[ . 1 .]" 1
606 1 116 LYS H 1 155 TYR HA 4.200 . 6.200 3.531 3.176 3.794 . 0 0 "[ . 1 .]" 1
607 1 142 LYS H 1 155 TYR H 4.800 . 6.800 4.517 4.279 4.771 . 0 0 "[ . 1 .]" 1
608 1 8 ALA HA 1 115 THR H 4.200 . 6.200 2.471 2.191 2.812 . 0 0 "[ . 1 .]" 1
609 1 141 GLU HB3 1 142 LYS H 3.500 . 5.500 3.810 3.523 4.183 . 0 0 "[ . 1 .]" 1
610 1 142 LYS H 1 142 LYS QG 3.900 . 5.900 2.936 1.953 3.775 . 0 0 "[ . 1 .]" 1
611 1 142 LYS H 1 142 LYS QD 2.800 . 4.800 1.947 1.611 2.492 0.189 14 0 "[ . 1 .]" 1
612 1 142 LYS H 1 142 LYS QE 4.100 . 6.100 3.406 1.671 4.094 0.129 5 0 "[ . 1 .]" 1
613 1 141 GLU QG 1 142 LYS H 3.000 . 5.000 2.175 1.859 2.846 . 0 0 "[ . 1 .]" 1
614 1 141 GLU HA 1 142 LYS H 2.900 . 4.900 2.285 2.159 2.383 . 0 0 "[ . 1 .]" 1
615 1 76 VAL HB 1 77 ALA H 4.300 . 6.300 3.987 3.712 4.174 . 0 0 "[ . 1 .]" 1
616 1 63 VAL MG2 1 77 ALA H 5.100 . 7.100 4.506 4.237 5.517 . 0 0 "[ . 1 .]" 1
617 1 76 VAL MG1 1 77 ALA H 4.300 . 6.300 2.832 1.880 4.056 . 0 0 "[ . 1 .]" 1
618 1 61 ILE MG 1 77 ALA H 3.800 . 5.800 3.690 3.403 4.161 . 0 0 "[ . 1 .]" 1
619 1 76 VAL H 1 77 ALA H 4.800 . 6.800 4.551 4.490 4.599 . 0 0 "[ . 1 .]" 1
620 1 146 ASP H 1 147 GLU H 4.800 . 6.800 4.388 4.323 4.484 . 0 0 "[ . 1 .]" 1
621 1 145 THR HA 1 146 ASP H 3.100 . 5.100 2.376 2.181 2.618 . 0 0 "[ . 1 .]" 1
622 1 45 ARG H 1 63 VAL H 5.100 . 7.100 3.698 3.241 3.998 . 0 0 "[ . 1 .]" 1
623 1 145 THR H 1 145 THR MG 3.000 . 5.000 1.990 1.619 2.899 0.181 11 0 "[ . 1 .]" 1
624 1 62 ILE HB 1 63 VAL H 3.900 . 5.900 3.095 2.976 3.252 . 0 0 "[ . 1 .]" 1
625 1 144 LEU HB3 1 145 THR H 4.100 . 6.100 3.096 1.974 3.878 . 0 0 "[ . 1 .]" 1
626 1 72 GLU H 1 74 CYS H 4.700 . 6.700 4.610 4.453 4.756 . 0 0 "[ . 1 .]" 1
627 1 63 VAL H 1 63 VAL MG2 3.900 . 5.900 2.533 1.719 2.805 0.081 5 0 "[ . 1 .]" 1
628 1 71 VAL HA 1 72 GLU H 2.700 . 4.700 2.155 2.144 2.177 . 0 0 "[ . 1 .]" 1
629 1 43 MET H 1 63 VAL H 4.800 . 6.800 3.950 3.373 4.566 . 0 0 "[ . 1 .]" 1
630 1 44 GLY QA 1 63 VAL H 4.700 . 6.700 3.169 2.791 3.488 . 0 0 "[ . 1 .]" 1
631 1 144 LEU H 1 145 THR H 4.500 . 6.500 4.298 4.166 4.426 . 0 0 "[ . 1 .]" 1
632 1 144 LEU HG 1 145 THR H 3.400 . 5.400 1.988 1.767 2.370 0.033 12 0 "[ . 1 .]" 1
633 1 145 THR H 1 145 THR HB 3.300 . 5.300 2.966 2.507 3.596 . 0 0 "[ . 1 .]" 1
634 1 144 LEU HA 1 145 THR H 2.800 . 4.800 2.457 2.179 2.928 . 0 0 "[ . 1 .]" 1
635 1 67 GLU H 1 67 GLU HG3 3.100 . 5.100 1.849 1.789 1.991 0.011 12 0 "[ . 1 .]" 1
636 1 66 ASN HA 1 67 GLU H 2.800 . 4.800 2.183 2.140 2.302 . 0 0 "[ . 1 .]" 1
637 1 67 GLU H 1 67 GLU HG2 3.100 . 5.100 2.626 2.370 2.850 . 0 0 "[ . 1 .]" 1
638 1 67 GLU H 1 68 GLY H 4.300 . 6.300 4.454 4.366 4.578 . 0 0 "[ . 1 .]" 1
639 1 2 ILE H 1 3 VAL H 4.700 . 6.700 4.278 4.039 4.397 . 0 0 "[ . 1 .]" 1
640 1 2 ILE H 1 2 ILE HB 3.400 . 5.400 2.704 2.629 2.785 . 0 0 "[ . 1 .]" 1
641 1 1 MET QB 1 2 ILE H 3.500 . 5.500 1.845 1.626 2.229 0.174 9 0 "[ . 1 .]" 1
642 1 99 ALA MB 1 126 PHE H 5.500 . 7.500 5.636 5.066 6.059 . 0 0 "[ . 1 .]" 1
643 1 125 THR H 1 126 PHE H 4.700 . 6.700 4.156 3.939 4.418 . 0 0 "[ . 1 .]" 1
644 1 126 PHE H 1 126 PHE QE 5.100 . 7.100 3.933 3.785 4.169 . 0 0 "[ . 1 .]" 1
645 1 1 MET QG 1 2 ILE H 4.200 . 6.200 3.568 2.920 3.911 . 0 0 "[ . 1 .]" 1
646 1 3 VAL H 1 4 SER H 4.600 . 6.600 4.216 4.015 4.394 . 0 0 "[ . 1 .]" 1
647 1 3 VAL HB 1 4 SER H 4.600 . 6.600 4.098 3.610 4.438 . 0 0 "[ . 1 .]" 1
648 1 125 THR HB 1 126 PHE H 4.500 . 6.500 4.152 3.942 4.343 . 0 0 "[ . 1 .]" 1
649 1 65 ARG H 1 65 ARG HD3 4.400 . 6.400 4.375 3.305 5.982 . 0 0 "[ . 1 .]" 1
650 1 64 THR MG 1 65 ARG H 3.700 . 5.700 3.759 3.431 3.932 . 0 0 "[ . 1 .]" 1
651 1 2 ILE HB 1 4 SER H 5.200 . 7.200 5.407 5.009 5.953 . 0 0 "[ . 1 .]" 1
652 1 65 ARG H 1 65 ARG QG 3.800 . 5.800 2.143 1.620 3.976 0.280 4 0 "[ . 1 .]" 1
653 1 65 ARG H 1 65 ARG HD2 4.400 . 6.400 4.442 4.014 5.334 . 0 0 "[ . 1 .]" 1
654 1 64 THR HB 1 65 ARG H 4.400 . 6.400 4.178 4.023 4.366 . 0 0 "[ . 1 .]" 1
655 1 106 LEU H 1 107 PRO HD3 3.900 . 5.900 2.558 1.977 3.332 . 0 0 "[ . 1 .]" 1
656 1 106 LEU H 1 109 VAL H 5.100 . 7.100 4.960 4.807 5.106 . 0 0 "[ . 1 .]" 1
657 1 106 LEU H 1 107 PRO HD2 3.900 . 5.900 2.347 2.071 2.555 . 0 0 "[ . 1 .]" 1
658 1 141 GLU H 1 141 GLU HB2 3.300 . 5.300 3.006 2.763 3.219 . 0 0 "[ . 1 .]" 1
659 1 141 GLU H 1 141 GLU QG 4.500 . 6.500 4.076 3.977 4.187 . 0 0 "[ . 1 .]" 1
660 1 159 GLU H 1 160 LYS H 4.700 . 6.700 4.397 4.310 4.441 . 0 0 "[ . 1 .]" 1
661 1 160 LYS H 1 160 LYS HB2 3.400 . 5.400 2.258 2.125 2.437 . 0 0 "[ . 1 .]" 1
662 1 160 LYS H 1 160 LYS HB3 3.600 . 5.600 3.368 3.006 3.591 . 0 0 "[ . 1 .]" 1
663 1 159 GLU HA 1 160 LYS H 3.500 . 5.500 2.283 2.204 2.329 . 0 0 "[ . 1 .]" 1
664 1 141 GLU H 1 155 TYR HB3 4.300 . 6.300 2.913 2.245 3.552 . 0 0 "[ . 1 .]" 1
665 1 160 LYS H 1 161 GLN H 4.600 . 6.600 4.421 2.854 4.649 . 0 0 "[ . 1 .]" 1
666 1 139 PHE QD 1 141 GLU H 4.600 . 6.600 3.861 3.192 4.490 . 0 0 "[ . 1 .]" 1
667 1 141 GLU H 1 155 TYR HB2 4.300 . 6.300 4.153 3.435 4.643 . 0 0 "[ . 1 .]" 1
668 1 141 GLU H 1 141 GLU HB3 3.400 . 5.400 2.700 2.572 2.872 . 0 0 "[ . 1 .]" 1
669 1 117 ILE H 1 119 HIS H 5.000 . 7.000 4.708 4.385 5.068 . 0 0 "[ . 1 .]" 1
670 1 117 ILE H 1 117 ILE HB 3.800 . 5.800 2.603 2.473 2.789 . 0 0 "[ . 1 .]" 1
671 1 117 ILE H 1 117 ILE HG13 4.600 . 6.600 2.899 2.200 3.735 . 0 0 "[ . 1 .]" 1
672 1 112 LEU MD1 1 113 TYR H 4.700 . 6.700 3.263 1.784 4.836 0.016 7 0 "[ . 1 .]" 1
673 1 10 ASP HA 1 117 ILE H 4.200 . 6.200 3.420 2.722 3.778 . 0 0 "[ . 1 .]" 1
674 1 112 LEU HB3 1 113 TYR H 4.800 . 6.800 4.006 3.538 4.390 . 0 0 "[ . 1 .]" 1
675 1 117 ILE H 1 117 ILE MD 4.400 . 6.400 3.714 3.291 4.129 . 0 0 "[ . 1 .]" 1
676 1 113 TYR H 1 113 TYR QD 4.300 . 6.300 3.091 2.620 3.567 . 0 0 "[ . 1 .]" 1
677 1 7 VAL H 1 113 TYR H 4.500 . 6.500 4.198 3.763 4.426 . 0 0 "[ . 1 .]" 1
678 1 113 TYR H 1 113 TYR QE 5.500 . 7.500 4.977 4.718 5.329 . 0 0 "[ . 1 .]" 1
679 1 127 PHE H 1 127 PHE HB2 4.200 . 6.200 3.066 2.399 3.965 . 0 0 "[ . 1 .]" 1
680 1 127 PHE H 1 127 PHE HB3 4.200 . 6.200 3.099 2.269 3.897 . 0 0 "[ . 1 .]" 1
681 1 13 ARG QB 1 127 PHE H 4.000 . 6.000 3.944 3.532 4.600 . 0 0 "[ . 1 .]" 1
682 1 126 PHE QD 1 127 PHE H 4.000 . 6.000 3.694 3.265 4.239 . 0 0 "[ . 1 .]" 1
683 1 127 PHE H 1 127 PHE QD 4.500 . 6.500 4.107 2.863 4.498 . 0 0 "[ . 1 .]" 1
684 1 61 ILE H 1 61 ILE MD 3.400 . 5.400 2.600 1.719 3.460 0.081 10 0 "[ . 1 .]" 1
685 1 60 ASN HB3 1 61 ILE H 4.500 . 6.500 3.920 3.233 4.381 . 0 0 "[ . 1 .]" 1
686 1 61 ILE H 1 61 ILE HG13 4.400 . 6.400 3.136 2.572 3.773 . 0 0 "[ . 1 .]" 1
687 1 60 ASN H 1 60 ASN HD22 4.400 . 6.400 3.912 2.924 4.722 . 0 0 "[ . 1 .]" 1
688 1 59 ARG QG 1 60 ASN H 4.900 . 6.900 4.035 3.503 4.769 . 0 0 "[ . 1 .]" 1
689 1 59 ARG HB2 1 60 ASN H 4.900 . 6.900 4.543 3.776 4.670 . 0 0 "[ . 1 .]" 1
690 1 60 ASN H 1 60 ASN HD21 4.400 . 6.400 3.335 1.796 4.434 0.004 4 0 "[ . 1 .]" 1
691 1 95 ILE H 1 95 ILE HG13 4.500 . 6.500 3.648 3.073 3.940 . 0 0 "[ . 1 .]" 1
692 1 95 ILE H 1 95 ILE HG12 4.300 . 6.300 2.551 2.245 3.347 . 0 0 "[ . 1 .]" 1
693 1 6 MET H 1 95 ILE H 5.200 . 7.200 3.760 3.450 4.148 . 0 0 "[ . 1 .]" 1
694 1 131 ASP HA 1 132 MET H 3.200 . 5.200 2.382 2.149 3.574 . 0 0 "[ . 1 .]" 1
695 1 69 TYR QD 1 70 HIS H 3.800 . 5.800 3.353 2.860 3.785 . 0 0 "[ . 1 .]" 1
696 1 132 MET H 1 132 MET HG3 4.200 . 6.200 3.378 2.021 4.450 . 0 0 "[ . 1 .]" 1
697 1 69 TYR HA 1 70 HIS H 2.800 . 4.800 2.199 2.143 2.236 . 0 0 "[ . 1 .]" 1
698 1 132 MET H 1 132 MET HG2 4.200 . 6.200 2.871 2.050 4.191 . 0 0 "[ . 1 .]" 1
699 1 132 MET H 1 133 THR MG 4.500 . 6.500 3.974 2.921 4.738 . 0 0 "[ . 1 .]" 1
700 1 70 HIS H 1 70 HIS QB 3.200 . 5.200 2.974 2.663 3.239 . 0 0 "[ . 1 .]" 1
701 1 132 MET H 1 133 THR H 3.700 . 5.700 2.456 1.797 3.189 0.003 2 0 "[ . 1 .]" 1
702 1 69 TYR QE 1 70 HIS H 4.800 . 6.800 4.313 3.754 4.749 . 0 0 "[ . 1 .]" 1
703 1 101 ILE H 1 103 ASP H 4.500 . 6.500 4.200 3.946 4.443 . 0 0 "[ . 1 .]" 1
704 1 28 GLU H 1 29 LEU MD2 4.800 . 6.800 5.360 4.626 5.648 . 0 0 "[ . 1 .]" 1
705 1 99 ALA HA 1 101 ILE H 4.800 . 6.800 4.557 4.224 4.817 . 0 0 "[ . 1 .]" 1
706 1 26 PRO HG2 1 28 GLU H 5.200 . 7.200 5.683 5.120 6.493 . 0 0 "[ . 1 .]" 1
707 1 94 PHE QD 1 95 ILE H 5.000 . 7.000 4.227 4.007 4.454 . 0 0 "[ . 1 .]" 1
708 1 101 ILE H 1 102 TYR QB 4.600 . 6.600 4.399 4.074 4.889 . 0 0 "[ . 1 .]" 1
709 1 28 GLU H 1 29 LEU HB3 5.400 . 7.400 4.551 4.174 5.127 . 0 0 "[ . 1 .]" 1
710 1 28 GLU H 1 29 LEU HG 5.500 . 7.500 5.787 4.293 6.983 . 0 0 "[ . 1 .]" 1
711 1 42 ILE H 1 43 MET H 4.500 . 6.500 4.353 4.127 4.563 . 0 0 "[ . 1 .]" 1
712 1 42 ILE HG12 1 43 MET H 5.500 . 7.500 5.239 4.875 5.533 . 0 0 "[ . 1 .]" 1
713 1 43 MET H 1 62 ILE MG 3.800 . 5.800 3.529 3.268 3.947 . 0 0 "[ . 1 .]" 1
714 1 42 ILE HG13 1 43 MET H 4.600 . 6.600 4.192 3.982 4.387 . 0 0 "[ . 1 .]" 1
715 1 140 VAL H 1 141 GLU HA 5.000 . 7.000 4.709 4.517 4.872 . 0 0 "[ . 1 .]" 1
716 1 42 ILE HB 1 43 MET H 4.700 . 6.700 4.390 4.148 4.537 . 0 0 "[ . 1 .]" 1
717 1 139 PHE QE 1 140 VAL H 3.900 . 5.900 3.743 3.499 3.971 . 0 0 "[ . 1 .]" 1
718 1 140 VAL H 1 140 VAL HB 3.500 . 5.500 3.189 2.708 3.527 . 0 0 "[ . 1 .]" 1
719 1 139 PHE HB3 1 140 VAL H 3.700 . 5.700 3.620 3.423 3.829 . 0 0 "[ . 1 .]" 1
720 1 140 VAL H 1 141 GLU H 4.400 . 6.400 4.201 3.957 4.362 . 0 0 "[ . 1 .]" 1
721 1 42 ILE H 1 96 PHE H 5.000 . 7.000 3.187 2.850 3.618 . 0 0 "[ . 1 .]" 1
722 1 119 HIS HB2 1 120 ALA H 4.800 . 6.800 4.406 4.049 4.598 . 0 0 "[ . 1 .]" 1
723 1 42 ILE H 1 96 PHE QB 4.800 . 6.800 4.163 3.683 5.308 . 0 0 "[ . 1 .]" 1
724 1 119 HIS HB3 1 120 ALA H 4.800 . 6.800 4.125 3.503 4.437 . 0 0 "[ . 1 .]" 1
725 1 158 TYR H 1 159 GLU QG 5.400 . 7.400 4.925 3.733 5.737 . 0 0 "[ . 1 .]" 1
726 1 112 LEU HB3 1 158 TYR H 4.600 . 6.600 3.855 3.419 4.328 . 0 0 "[ . 1 .]" 1
727 1 158 TYR H 1 158 TYR QD 4.200 . 6.200 3.182 2.771 3.510 . 0 0 "[ . 1 .]" 1
728 1 114 ILE H 1 158 TYR H 4.700 . 6.700 4.179 3.804 4.590 . 0 0 "[ . 1 .]" 1
729 1 157 VAL H 1 158 TYR H 5.100 . 7.100 4.256 4.122 4.392 . 0 0 "[ . 1 .]" 1
730 1 157 VAL HB 1 158 TYR H 4.500 . 6.500 4.271 3.946 4.401 . 0 0 "[ . 1 .]" 1
731 1 68 GLY HA3 1 69 TYR H 3.400 . 5.400 3.329 3.240 3.390 . 0 0 "[ . 1 .]" 1
732 1 68 GLY HA2 1 69 TYR H 3.400 . 5.400 3.242 3.170 3.337 . 0 0 "[ . 1 .]" 1
733 1 67 GLU H 1 69 TYR H 4.800 . 6.800 4.709 4.465 4.986 . 0 0 "[ . 1 .]" 1
734 1 143 GLY H 1 153 TYR H 4.900 . 6.900 3.925 3.635 4.173 . 0 0 "[ . 1 .]" 1
735 1 117 ILE MG 1 153 TYR H 4.900 . 6.900 5.084 4.521 5.582 . 0 0 "[ . 1 .]" 1
736 1 29 LEU HA 1 32 VAL H 4.100 . 6.100 3.914 3.744 4.272 . 0 0 "[ . 1 .]" 1
737 1 32 VAL H 1 32 VAL MG1 3.200 . 5.200 2.092 1.830 2.286 . 0 0 "[ . 1 .]" 1
738 1 109 VAL HB 1 110 ASP H 4.300 . 6.300 3.942 3.690 4.398 . 0 0 "[ . 1 .]" 1
739 1 109 VAL MG2 1 110 ASP H 4.000 . 6.000 2.677 1.603 3.980 0.197 6 0 "[ . 1 .]" 1
740 1 110 ASP H 1 110 ASP QB 3.700 . 5.700 2.466 2.362 2.627 . 0 0 "[ . 1 .]" 1
741 1 153 TYR H 1 153 TYR HE1 4.400 . 6.400 4.394 3.869 4.863 . 0 0 "[ . 1 .]" 1
742 1 4 SER HA 1 110 ASP H 4.700 . 6.700 4.230 3.859 4.713 . 0 0 "[ . 1 .]" 1
743 1 153 TYR H 1 153 TYR HB2 4.100 . 6.100 3.716 3.563 3.848 . 0 0 "[ . 1 .]" 1
744 1 153 TYR H 1 153 TYR QD 4.300 . 6.300 2.976 2.401 3.203 . 0 0 "[ . 1 .]" 1
745 1 29 LEU H 1 32 VAL H 5.000 . 7.000 4.922 4.719 5.080 . 0 0 "[ . 1 .]" 1
746 1 31 TYR QD 1 32 VAL H 4.700 . 6.700 3.829 3.146 4.473 . 0 0 "[ . 1 .]" 1
747 1 153 TYR H 1 153 TYR HH 5.400 . 7.400 5.302 4.879 5.692 . 0 0 "[ . 1 .]" 1
748 1 152 THR HA 1 153 TYR H 3.100 . 5.100 2.214 2.149 2.418 . 0 0 "[ . 1 .]" 1
749 1 153 TYR H 1 153 TYR HB3 4.100 . 6.100 3.568 3.444 3.794 . 0 0 "[ . 1 .]" 1
750 1 5 PHE H 1 5 PHE HD1 5.500 . 7.500 3.983 2.588 5.071 . 0 0 "[ . 1 .]" 1
751 1 5 PHE H 1 5 PHE HD2 5.500 . 7.500 5.137 4.486 5.440 . 0 0 "[ . 1 .]" 1
752 1 4 SER H 1 5 PHE H 5.200 . 7.200 4.520 4.464 4.591 . 0 0 "[ . 1 .]" 1
753 1 5 PHE H 1 6 MET H 5.500 . 7.500 4.371 4.220 4.508 . 0 0 "[ . 1 .]" 1
754 1 30 GLN H 1 32 VAL H 4.300 . 6.300 4.166 3.951 4.440 . 0 0 "[ . 1 .]" 1
755 1 5 PHE H 1 113 TYR QD 4.700 . 6.700 3.500 3.002 4.539 . 0 0 "[ . 1 .]" 1
756 1 5 PHE H 1 113 TYR H 4.700 . 6.700 3.327 3.013 3.848 . 0 0 "[ . 1 .]" 1
757 1 31 TYR HB3 1 32 VAL H 4.500 . 6.500 2.802 2.278 3.454 . 0 0 "[ . 1 .]" 1
758 1 31 TYR HB2 1 32 VAL H 4.500 . 6.500 3.213 2.450 3.857 . 0 0 "[ . 1 .]" 1
759 1 114 ILE H 1 114 ILE HG13 4.100 . 6.100 3.105 2.671 3.474 . 0 0 "[ . 1 .]" 1
760 1 70 HIS QB 1 71 VAL H 3.500 . 5.500 3.228 2.905 3.735 . 0 0 "[ . 1 .]" 1
761 1 71 VAL H 1 72 GLU H 4.500 . 6.500 4.186 4.037 4.378 . 0 0 "[ . 1 .]" 1
762 1 70 HIS HA 1 71 VAL H 3.000 . 5.000 2.182 2.152 2.228 . 0 0 "[ . 1 .]" 1
763 1 71 VAL H 1 72 GLU QG 5.500 . 7.500 5.118 4.847 5.570 . 0 0 "[ . 1 .]" 1
764 1 114 ILE H 1 156 HIS H 4.600 . 6.600 3.607 3.260 3.931 . 0 0 "[ . 1 .]" 1
765 1 62 ILE MD 1 71 VAL H 4.800 . 6.800 4.294 3.577 4.626 . 0 0 "[ . 1 .]" 1
766 1 157 VAL H 1 157 VAL HB 3.500 . 5.500 2.653 2.505 2.858 . 0 0 "[ . 1 .]" 1
767 1 71 VAL H 1 71 VAL HB 3.800 . 5.800 2.695 2.453 2.861 . 0 0 "[ . 1 .]" 1
768 1 71 VAL H 1 71 VAL MG2 3.900 . 5.900 2.617 1.817 2.903 . 0 0 "[ . 1 .]" 1
769 1 156 HIS HB2 1 157 VAL H 4.400 . 6.400 3.930 3.372 4.324 . 0 0 "[ . 1 .]" 1
770 1 156 HIS HA 1 157 VAL H 3.200 . 5.200 2.224 2.169 2.321 . 0 0 "[ . 1 .]" 1
771 1 139 PHE QD 1 157 VAL H 5.200 . 7.200 4.991 4.773 5.409 . 0 0 "[ . 1 .]" 1
772 1 139 PHE H 1 157 VAL H 3.700 . 5.700 3.614 3.319 3.799 . 0 0 "[ . 1 .]" 1
773 1 138 VAL H 1 157 VAL H 4.700 . 6.700 4.361 4.051 4.728 . 0 0 "[ . 1 .]" 1
774 1 157 VAL H 1 158 TYR QD 4.600 . 6.600 3.895 3.435 4.547 . 0 0 "[ . 1 .]" 1
775 1 121 PHE H 1 121 PHE QD 4.200 . 6.200 4.143 3.510 4.419 . 0 0 "[ . 1 .]" 1
776 1 12 ASN H 1 121 PHE H 5.500 . 7.500 5.875 5.173 6.218 . 0 0 "[ . 1 .]" 1
777 1 121 PHE H 1 121 PHE HB3 4.000 . 6.000 3.291 2.680 3.809 . 0 0 "[ . 1 .]" 1
778 1 120 ALA HA 1 121 PHE H 3.400 . 5.400 2.242 2.150 2.324 . 0 0 "[ . 1 .]" 1
779 1 160 LYS HA 1 161 GLN H 3.000 . 5.000 2.480 2.206 3.566 . 0 0 "[ . 1 .]" 1
780 1 121 PHE H 1 122 GLU H 4.500 . 6.500 4.213 3.755 4.514 . 0 0 "[ . 1 .]" 1
781 1 160 LYS HB2 1 161 GLN H 4.000 . 6.000 3.926 3.080 4.350 . 0 0 "[ . 1 .]" 1
782 1 160 LYS HB3 1 161 GLN H 3.300 . 5.300 2.637 1.957 3.264 . 0 0 "[ . 1 .]" 1
783 1 121 PHE H 1 121 PHE HB2 4.000 . 6.000 2.946 2.428 3.491 . 0 0 "[ . 1 .]" 1
784 1 160 LYS QE 1 161 GLN H 4.000 . 6.000 3.687 1.877 4.612 . 0 0 "[ . 1 .]" 1
785 1 156 HIS HB3 1 157 VAL H 4.400 . 6.400 3.181 2.772 4.407 . 0 0 "[ . 1 .]" 1
786 1 31 TYR H 1 32 VAL H 4.300 . 6.300 2.715 2.547 2.863 . 0 0 "[ . 1 .]" 1
787 1 31 TYR H 1 31 TYR QD 4.400 . 6.400 3.355 1.956 4.203 . 0 0 "[ . 1 .]" 1
788 1 31 TYR H 1 31 TYR HB2 4.100 . 6.100 2.384 2.199 2.572 . 0 0 "[ . 1 .]" 1
789 1 14 VAL H 1 14 VAL MG1 3.900 . 5.900 2.635 2.138 3.955 . 0 0 "[ . 1 .]" 1
790 1 13 ARG H 1 14 VAL H 5.000 . 7.000 3.776 3.436 4.046 . 0 0 "[ . 1 .]" 1
791 1 136 LYS H 1 160 LYS HA 4.500 . 6.500 4.177 3.961 4.817 . 0 0 "[ . 1 .]" 1
792 1 135 TRP QB 1 136 LYS H 3.800 . 5.800 2.590 2.358 3.179 . 0 0 "[ . 1 .]" 1
793 1 13 ARG QB 1 14 VAL H 4.000 . 6.000 1.595 1.452 1.768 0.348 2 0 "[ . 1 .]" 1
794 1 135 TRP H 1 136 LYS H 4.600 . 6.600 4.549 4.453 4.647 . 0 0 "[ . 1 .]" 1
795 1 135 TRP HA 1 136 LYS H 3.400 . 5.400 2.355 2.173 2.438 . 0 0 "[ . 1 .]" 1
796 1 139 PHE H 1 139 PHE QD 4.700 . 6.700 4.469 4.333 4.550 . 0 0 "[ . 1 .]" 1
797 1 139 PHE H 1 157 VAL HB 3.100 . 5.100 2.332 2.006 2.591 . 0 0 "[ . 1 .]" 1
798 1 138 VAL H 1 139 PHE H 3.100 . 5.100 1.965 1.746 2.396 0.054 5 0 "[ . 1 .]" 1
799 1 137 GLU HA 1 139 PHE H 3.800 . 5.800 3.808 3.345 4.414 . 0 0 "[ . 1 .]" 1
800 1 139 PHE H 1 139 PHE HB2 3.600 . 5.600 3.208 2.984 3.387 . 0 0 "[ . 1 .]" 1
801 1 139 PHE H 1 139 PHE HB3 3.500 . 5.500 3.133 2.778 3.386 . 0 0 "[ . 1 .]" 1
802 1 138 VAL MG2 1 139 PHE H 4.500 . 6.500 2.798 1.669 4.236 0.131 14 0 "[ . 1 .]" 1
803 1 144 LEU H 1 153 TYR QD 4.000 . 6.000 3.950 3.234 4.780 . 0 0 "[ . 1 .]" 1
804 1 4 SER HA 1 112 LEU H 5.500 . 7.500 4.996 4.680 5.420 . 0 0 "[ . 1 .]" 1
805 1 144 LEU H 1 144 LEU HB3 3.500 . 5.500 3.263 3.098 3.422 . 0 0 "[ . 1 .]" 1
806 1 144 LEU H 1 144 LEU HB2 3.500 . 5.500 3.147 2.831 3.473 . 0 0 "[ . 1 .]" 1
807 1 112 LEU H 1 159 GLU HA 4.600 . 6.600 2.883 2.465 3.124 . 0 0 "[ . 1 .]" 1
808 1 144 LEU H 1 153 TYR H 4.800 . 6.800 3.797 3.206 4.374 . 0 0 "[ . 1 .]" 1
809 1 112 LEU H 1 158 TYR HB3 4.800 . 6.800 4.138 3.515 4.885 . 0 0 "[ . 1 .]" 1
810 1 111 LYS H 1 112 LEU H 4.700 . 6.700 4.409 4.263 4.529 . 0 0 "[ . 1 .]" 1
811 1 112 LEU H 1 160 LYS H 5.100 . 7.100 4.622 4.358 4.961 . 0 0 "[ . 1 .]" 1
812 1 112 LEU H 1 158 TYR HB2 4.800 . 6.800 3.795 3.237 4.433 . 0 0 "[ . 1 .]" 1
813 1 112 LEU H 1 158 TYR H 4.500 . 6.500 3.744 3.457 4.047 . 0 0 "[ . 1 .]" 1
814 1 144 LEU H 1 152 THR HA 4.500 . 6.500 4.183 3.508 5.055 . 0 0 "[ . 1 .]" 1
815 1 99 ALA H 1 101 ILE H 5.000 . 7.000 3.987 3.776 4.318 . 0 0 "[ . 1 .]" 1
816 1 32 VAL MG2 1 33 LYS H 4.100 . 6.100 3.540 3.226 3.826 . 0 0 "[ . 1 .]" 1
817 1 33 LYS H 1 34 LYS H 4.400 . 6.400 2.732 2.538 3.041 . 0 0 "[ . 1 .]" 1
818 1 49 GLU H 1 50 ALA H 3.900 . 5.900 2.660 2.478 2.964 . 0 0 "[ . 1 .]" 1
819 1 99 ALA H 1 100 GLN HG3 5.200 . 7.200 5.194 3.756 6.353 . 0 0 "[ . 1 .]" 1
820 1 32 VAL HB 1 33 LYS H 4.200 . 6.200 3.809 3.707 4.007 . 0 0 "[ . 1 .]" 1
821 1 98 GLY H 1 99 ALA H 4.700 . 6.700 4.309 4.240 4.380 . 0 0 "[ . 1 .]" 1
822 1 30 GLN HA 1 33 LYS H 4.300 . 6.300 3.663 3.377 4.065 . 0 0 "[ . 1 .]" 1
823 1 30 GLN H 1 33 LYS H 4.700 . 6.700 4.676 4.549 4.866 . 0 0 "[ . 1 .]" 1
824 1 29 LEU HA 1 33 LYS H 4.700 . 6.700 3.949 3.724 4.378 . 0 0 "[ . 1 .]" 1
825 1 31 TYR HA 1 33 LYS H 5.300 . 7.300 4.629 4.268 4.944 . 0 0 "[ . 1 .]" 1
826 1 117 ILE MG 1 119 HIS H 3.700 . 5.700 2.134 1.712 2.712 0.088 6 0 "[ . 1 .]" 1
827 1 33 LYS H 1 33 LYS QB 3.600 . 5.600 2.243 2.130 2.408 . 0 0 "[ . 1 .]" 1
828 1 117 ILE HB 1 119 HIS H 3.900 . 5.900 3.455 2.932 4.029 . 0 0 "[ . 1 .]" 1
829 1 119 HIS H 1 120 ALA MB 4.400 . 6.400 3.728 3.447 4.445 . 0 0 "[ . 1 .]" 1
830 1 47 ASN QB 1 50 ALA H 5.100 . 7.100 4.902 4.473 5.289 . 0 0 "[ . 1 .]" 1
831 1 33 LYS H 1 33 LYS QE 5.400 . 7.400 4.975 4.364 5.824 . 0 0 "[ . 1 .]" 1
832 1 99 ALA H 1 102 TYR QB 5.000 . 7.000 4.665 4.293 5.182 . 0 0 "[ . 1 .]" 1
833 1 66 ASN H 1 67 GLU H 4.100 . 6.100 3.635 3.078 4.068 . 0 0 "[ . 1 .]" 1
834 1 11 GLU QG 1 119 HIS H 3.300 . 5.300 2.600 2.029 3.641 . 0 0 "[ . 1 .]" 1
835 1 65 ARG QG 1 66 ASN H 5.000 . 7.000 4.292 3.097 4.548 . 0 0 "[ . 1 .]" 1
836 1 11 GLU H 1 119 HIS H 3.900 . 5.900 3.636 3.070 4.813 . 0 0 "[ . 1 .]" 1
837 1 118 HIS H 1 119 HIS H 4.200 . 6.200 3.218 2.435 3.724 . 0 0 "[ . 1 .]" 1
838 1 117 ILE MD 1 119 HIS H 5.000 . 7.000 4.837 4.353 5.441 . 0 0 "[ . 1 .]" 1
839 1 66 ASN H 1 66 ASN HB2 4.000 . 6.000 3.348 2.807 4.042 . 0 0 "[ . 1 .]" 1
840 1 118 HIS HA 1 119 HIS H 3.200 . 5.200 2.781 2.504 3.289 . 0 0 "[ . 1 .]" 1
841 1 10 ASP HA 1 119 HIS H 5.000 . 7.000 4.579 4.167 5.433 . 0 0 "[ . 1 .]" 1
842 1 65 ARG H 1 66 ASN H 4.100 . 6.100 4.271 3.931 4.468 . 0 0 "[ . 1 .]" 1
843 1 119 HIS H 1 120 ALA H 4.200 . 6.200 3.926 3.748 4.326 . 0 0 "[ . 1 .]" 1
844 1 5 PHE HD1 1 6 MET H 5.500 . 7.500 3.601 2.037 5.462 . 0 0 "[ . 1 .]" 1
845 1 5 PHE HD2 1 6 MET H 5.500 . 7.500 4.838 4.009 5.807 . 0 0 "[ . 1 .]" 1
846 1 66 ASN H 1 66 ASN HB3 4.000 . 6.000 3.846 3.700 3.953 . 0 0 "[ . 1 .]" 1
847 1 74 CYS HB3 1 75 GLU H 4.200 . 6.200 3.221 2.548 3.881 . 0 0 "[ . 1 .]" 1
848 1 61 ILE HA 1 75 GLU H 4.200 . 6.200 2.890 2.659 3.303 . 0 0 "[ . 1 .]" 1
849 1 66 ASN H 1 69 TYR H 5.000 . 7.000 5.073 4.769 5.412 . 0 0 "[ . 1 .]" 1
850 1 62 ILE HG12 1 75 GLU H 4.800 . 6.800 3.825 3.633 4.089 . 0 0 "[ . 1 .]" 1
851 1 129 GLU H 1 130 MET H 4.100 . 6.100 4.136 3.644 4.577 . 0 0 "[ . 1 .]" 1
852 1 71 VAL HB 1 75 GLU H 5.500 . 7.500 5.434 5.118 5.674 . 0 0 "[ . 1 .]" 1
853 1 75 GLU H 1 75 GLU HB3 3.800 . 5.800 3.346 2.592 3.659 . 0 0 "[ . 1 .]" 1
854 1 63 VAL HA 1 64 THR H 3.500 . 5.500 2.151 2.133 2.167 . 0 0 "[ . 1 .]" 1
855 1 129 GLU HA 1 130 MET H 2.800 . 4.800 2.357 2.144 2.829 . 0 0 "[ . 1 .]" 1
856 1 130 MET H 1 130 MET QG 3.000 . 5.000 2.648 2.213 3.140 . 0 0 "[ . 1 .]" 1
857 1 6 MET H 1 95 ILE MG 5.300 . 7.300 4.926 4.699 5.155 . 0 0 "[ . 1 .]" 1
858 1 63 VAL MG1 1 64 THR H 4.200 . 6.200 2.676 2.358 4.114 . 0 0 "[ . 1 .]" 1
859 1 64 THR H 1 78 HIS HA 4.200 . 6.200 3.685 3.389 4.059 . 0 0 "[ . 1 .]" 1
860 1 64 THR H 1 77 ALA H 4.500 . 6.500 3.217 3.024 3.327 . 0 0 "[ . 1 .]" 1
861 1 63 VAL H 1 64 THR H 4.700 . 6.700 4.444 4.318 4.531 . 0 0 "[ . 1 .]" 1
862 1 51 ILE H 1 52 GLY H 4.100 . 6.100 2.677 2.419 2.865 . 0 0 "[ . 1 .]" 1
863 1 48 TYR HA 1 51 ILE H 4.000 . 6.000 3.500 3.136 3.836 . 0 0 "[ . 1 .]" 1
864 1 10 ASP H 1 117 ILE MD 5.500 . 7.500 5.339 4.876 5.746 . 0 0 "[ . 1 .]" 1
865 1 131 ASP H 1 131 ASP HB2 4.100 . 6.100 3.097 2.114 4.079 . 0 0 "[ . 1 .]" 1
866 1 10 ASP H 1 13 ARG QB 4.400 . 6.400 4.253 3.977 5.123 . 0 0 "[ . 1 .]" 1
867 1 10 ASP H 1 11 GLU H 4.900 . 6.900 4.509 4.402 4.569 . 0 0 "[ . 1 .]" 1
868 1 10 ASP H 1 14 VAL H 4.500 . 6.500 3.645 3.130 4.043 . 0 0 "[ . 1 .]" 1
869 1 10 ASP H 1 12 ASN H 5.500 . 7.500 5.234 4.950 5.407 . 0 0 "[ . 1 .]" 1
870 1 10 ASP H 1 117 ILE H 5.500 . 7.500 5.045 4.789 5.215 . 0 0 "[ . 1 .]" 1
871 1 10 ASP H 1 15 ILE MG 4.900 . 6.900 3.985 3.639 4.426 . 0 0 "[ . 1 .]" 1
872 1 131 ASP H 1 131 ASP HB3 4.100 . 6.100 3.294 2.519 3.992 . 0 0 "[ . 1 .]" 1
873 1 90 GLU H 1 91 GLU H 4.800 . 6.800 4.330 4.147 4.410 . 0 0 "[ . 1 .]" 1
874 1 91 GLU H 1 91 GLU HG2 3.900 . 5.900 2.009 1.799 2.879 0.001 12 0 "[ . 1 .]" 1
875 1 161 GLN H 1 162 GLN H 3.800 . 5.800 2.692 1.796 3.723 0.004 12 0 "[ . 1 .]" 1
876 1 90 GLU QB 1 91 GLU H 4.200 . 6.200 3.159 2.818 3.799 . 0 0 "[ . 1 .]" 1
877 1 130 MET H 1 131 ASP H 4.500 . 6.500 3.045 1.971 4.406 . 0 0 "[ . 1 .]" 1
878 1 154 TYR QD 1 155 TYR H 4.400 . 6.400 4.217 4.052 4.439 . 0 0 "[ . 1 .]" 1
879 1 37 MET H 1 37 MET HB2 3.700 . 5.700 3.290 2.131 3.638 . 0 0 "[ . 1 .]" 1
880 1 160 LYS HB2 1 162 GLN H 5.300 . 7.300 4.545 3.761 5.500 . 0 0 "[ . 1 .]" 1
881 1 160 LYS HB3 1 162 GLN H 4.900 . 6.900 3.000 2.132 3.925 . 0 0 "[ . 1 .]" 1
882 1 33 LYS HA 1 37 MET H 4.800 . 6.800 4.081 3.656 4.394 . 0 0 "[ . 1 .]" 1
883 1 35 THR HA 1 37 MET H 5.400 . 7.400 4.077 3.854 4.363 . 0 0 "[ . 1 .]" 1
884 1 36 THR HB 1 37 MET H 5.300 . 7.300 4.274 3.936 4.637 . 0 0 "[ . 1 .]" 1
885 1 36 THR H 1 37 MET H 4.000 . 6.000 2.247 2.042 2.577 . 0 0 "[ . 1 .]" 1
886 1 37 MET H 1 37 MET HB3 3.700 . 5.700 2.654 2.231 3.932 . 0 0 "[ . 1 .]" 1
887 1 155 TYR H 1 155 TYR HB3 3.700 . 5.700 2.982 2.674 3.445 . 0 0 "[ . 1 .]" 1
888 1 155 TYR H 1 155 TYR QD 4.200 . 6.200 4.112 3.547 4.310 . 0 0 "[ . 1 .]" 1
889 1 99 ALA H 1 102 TYR H 4.800 . 6.800 4.521 4.273 4.754 . 0 0 "[ . 1 .]" 1
890 1 35 THR H 1 37 MET H 5.000 . 7.000 3.615 3.469 3.897 . 0 0 "[ . 1 .]" 1
891 1 141 GLU H 1 155 TYR H 3.900 . 5.900 3.586 3.389 3.970 . 0 0 "[ . 1 .]" 1
892 1 37 MET H 1 37 MET HG3 4.300 . 6.300 3.698 2.624 4.023 . 0 0 "[ . 1 .]" 1
893 1 102 TYR H 1 102 TYR QB 3.600 . 5.600 2.187 2.040 2.616 . 0 0 "[ . 1 .]" 1
894 1 154 TYR HB3 1 155 TYR H 3.700 . 5.700 2.960 2.442 3.234 . 0 0 "[ . 1 .]" 1
895 1 155 TYR H 1 155 TYR HB2 3.700 . 5.700 2.502 2.246 2.823 . 0 0 "[ . 1 .]" 1
896 1 101 ILE H 1 102 TYR H 4.100 . 6.100 2.658 2.414 2.867 . 0 0 "[ . 1 .]" 1
897 1 101 ILE HB 1 102 TYR H 4.000 . 6.000 2.624 2.295 2.850 . 0 0 "[ . 1 .]" 1
898 1 102 TYR H 1 103 ASP H 3.900 . 5.900 2.717 2.523 2.897 . 0 0 "[ . 1 .]" 1
899 1 138 VAL H 1 157 VAL HA 5.100 . 7.100 5.194 5.054 5.415 . 0 0 "[ . 1 .]" 1
900 1 137 GLU H 1 138 VAL H 4.700 . 6.700 4.519 4.266 4.634 . 0 0 "[ . 1 .]" 1
901 1 138 VAL H 1 157 VAL HB 3.800 . 5.800 3.355 3.021 3.798 . 0 0 "[ . 1 .]" 1
902 1 100 GLN H 1 102 TYR H 4.900 . 6.900 4.218 3.947 4.516 . 0 0 "[ . 1 .]" 1
903 1 138 VAL H 1 158 TYR HA 4.200 . 6.200 3.386 2.235 3.955 . 0 0 "[ . 1 .]" 1
904 1 138 VAL H 1 138 VAL MG1 3.800 . 5.800 2.881 2.248 3.281 . 0 0 "[ . 1 .]" 1
905 1 102 TYR H 1 102 TYR QE 5.500 . 7.500 5.426 4.017 6.081 . 0 0 "[ . 1 .]" 1
906 1 102 TYR H 1 102 TYR QD 5.000 . 7.000 3.454 2.532 4.082 . 0 0 "[ . 1 .]" 1
907 1 45 ARG H 1 62 ILE MG 4.400 . 6.400 4.340 4.013 4.770 . 0 0 "[ . 1 .]" 1
908 1 45 ARG H 1 62 ILE MD 5.200 . 7.200 5.033 4.628 5.518 . 0 0 "[ . 1 .]" 1
909 1 45 ARG H 1 46 LYS H 4.800 . 6.800 2.770 2.568 2.906 . 0 0 "[ . 1 .]" 1
910 1 128 PRO HA 1 129 GLU H 2.800 . 4.800 2.639 2.492 2.779 . 0 0 "[ . 1 .]" 1
911 1 84 PHE QE 1 85 GLU H 5.500 . 7.500 4.192 3.969 4.557 . 0 0 "[ . 1 .]" 1
912 1 128 PRO HB3 1 129 GLU H 3.600 . 5.600 3.248 3.097 3.430 . 0 0 "[ . 1 .]" 1
913 1 84 PHE QB 1 85 GLU H 3.400 . 5.400 2.733 2.621 2.865 . 0 0 "[ . 1 .]" 1
914 1 92 GLU H 1 93 ILE H 4.700 . 6.700 4.337 4.120 4.460 . 0 0 "[ . 1 .]" 1
915 1 17 LYS H 1 18 ASP H 4.800 . 6.800 2.390 2.146 3.078 . 0 0 "[ . 1 .]" 1
916 1 79 SER H 1 80 VAL H 4.800 . 6.800 4.544 4.502 4.578 . 0 0 "[ . 1 .]" 1
917 1 91 GLU H 1 92 GLU H 3.800 . 5.800 3.057 2.514 3.473 . 0 0 "[ . 1 .]" 1
918 1 121 PHE QD 1 122 GLU H 3.800 . 5.800 3.382 2.627 4.010 . 0 0 "[ . 1 .]" 1
919 1 83 VAL H 1 85 GLU H 4.800 . 6.800 4.600 4.397 4.704 . 0 0 "[ . 1 .]" 1
920 1 90 GLU HA 1 92 GLU H 5.100 . 7.100 4.667 3.868 5.154 . 0 0 "[ . 1 .]" 1
921 1 80 VAL H 1 82 GLU H 4.600 . 6.600 4.547 4.151 4.842 . 0 0 "[ . 1 .]" 1
922 1 80 VAL H 1 80 VAL HB 3.300 . 5.300 2.671 2.529 2.842 . 0 0 "[ . 1 .]" 1
923 1 92 GLU H 1 92 GLU QB 3.500 . 5.500 2.649 2.277 3.078 . 0 0 "[ . 1 .]" 1
924 1 79 SER HA 1 80 VAL H 3.400 . 5.400 2.623 2.589 2.655 . 0 0 "[ . 1 .]" 1
925 1 91 GLU HG3 1 92 GLU H 4.600 . 6.600 2.564 1.870 4.230 . 0 0 "[ . 1 .]" 1
926 1 16 GLY H 1 17 LYS H 4.600 . 6.600 4.100 3.279 4.396 . 0 0 "[ . 1 .]" 1
927 1 80 VAL H 1 80 VAL MG2 3.900 . 5.900 3.340 1.789 3.744 0.011 15 0 "[ . 1 .]" 1
928 1 85 GLU H 1 88 LYS QD 4.700 . 6.700 4.915 4.825 5.258 . 0 0 "[ . 1 .]" 1
929 1 100 GLN H 1 101 ILE MD 5.200 . 7.200 5.340 4.707 5.988 . 0 0 "[ . 1 .]" 1
930 1 99 ALA H 1 100 GLN H 4.200 . 6.200 2.868 2.788 3.035 . 0 0 "[ . 1 .]" 1
931 1 100 GLN H 1 101 ILE H 4.200 . 6.200 2.752 2.669 2.954 . 0 0 "[ . 1 .]" 1
932 1 81 GLU HA 1 85 GLU H 5.200 . 7.200 5.009 4.907 5.085 . 0 0 "[ . 1 .]" 1
933 1 80 VAL H 1 81 GLU HA 5.500 . 7.500 5.280 5.207 5.419 . 0 0 "[ . 1 .]" 1
934 1 100 GLN H 1 100 GLN HB3 4.100 . 6.100 2.556 2.257 2.959 . 0 0 "[ . 1 .]" 1
935 1 98 GLY HA3 1 100 GLN H 4.400 . 6.400 4.127 3.847 4.266 . 0 0 "[ . 1 .]" 1
936 1 121 PHE HA 1 122 GLU H 3.200 . 5.200 2.206 2.130 2.316 . 0 0 "[ . 1 .]" 1
937 1 100 GLN H 1 100 GLN HG3 4.100 . 6.100 3.194 1.977 3.862 . 0 0 "[ . 1 .]" 1
938 1 100 GLN H 1 125 THR MG 4.500 . 6.500 4.359 4.104 4.699 . 0 0 "[ . 1 .]" 1
939 1 100 GLN H 1 100 GLN HB2 4.100 . 6.100 3.563 3.490 3.593 . 0 0 "[ . 1 .]" 1
940 1 122 GLU H 1 122 GLU HG3 3.900 . 5.900 2.977 2.079 3.803 . 0 0 "[ . 1 .]" 1
941 1 122 GLU H 1 122 GLU QB 3.200 . 5.200 2.863 2.270 3.179 . 0 0 "[ . 1 .]" 1
942 1 110 ASP QB 1 111 LYS H 3.500 . 5.500 2.480 2.163 2.969 . 0 0 "[ . 1 .]" 1
943 1 4 SER HA 1 111 LYS H 3.900 . 5.900 2.913 2.596 3.358 . 0 0 "[ . 1 .]" 1
944 1 109 VAL HA 1 111 LYS H 4.400 . 6.400 4.194 3.776 4.532 . 0 0 "[ . 1 .]" 1
945 1 135 TRP HE3 1 159 GLU H 4.700 . 6.700 2.861 2.515 3.210 . 0 0 "[ . 1 .]" 1
946 1 5 PHE H 1 111 LYS H 4.600 . 6.600 4.410 4.152 4.611 . 0 0 "[ . 1 .]" 1
947 1 110 ASP H 1 111 LYS H 3.500 . 5.500 2.143 1.889 2.396 . 0 0 "[ . 1 .]" 1
948 1 137 GLU HA 1 159 GLU H 4.300 . 6.300 3.729 3.289 4.375 . 0 0 "[ . 1 .]" 1
949 1 158 TYR HB3 1 159 GLU H 4.500 . 6.500 2.926 2.453 3.293 . 0 0 "[ . 1 .]" 1
950 1 158 TYR QD 1 159 GLU H 4.300 . 6.300 3.740 3.057 4.150 . 0 0 "[ . 1 .]" 1
951 1 138 VAL MG1 1 159 GLU H 4.600 . 6.600 4.018 3.077 5.318 . 0 0 "[ . 1 .]" 1
952 1 159 GLU H 1 159 GLU HB2 4.200 . 6.200 3.337 2.492 3.994 . 0 0 "[ . 1 .]" 1
953 1 138 VAL H 1 159 GLU H 4.500 . 6.500 4.525 3.710 5.306 . 0 0 "[ . 1 .]" 1
954 1 158 TYR HB2 1 159 GLU H 4.500 . 6.500 4.080 3.661 4.369 . 0 0 "[ . 1 .]" 1
955 1 159 GLU H 1 159 GLU QG 3.800 . 5.800 2.773 2.159 3.840 . 0 0 "[ . 1 .]" 1
956 1 138 VAL MG2 1 159 GLU H 4.600 . 6.600 4.211 3.599 5.399 . 0 0 "[ . 1 .]" 1
957 1 135 TRP HZ3 1 159 GLU H 4.900 . 6.900 4.172 3.807 4.682 . 0 0 "[ . 1 .]" 1
958 1 88 LYS HG2 1 90 GLU H 4.600 . 6.600 4.821 4.579 5.097 . 0 0 "[ . 1 .]" 1
959 1 136 LYS HA 1 159 GLU H 5.500 . 7.500 4.989 4.796 5.174 . 0 0 "[ . 1 .]" 1
960 1 88 LYS H 1 90 GLU H 4.500 . 6.500 4.447 4.285 4.670 . 0 0 "[ . 1 .]" 1
961 1 89 ASN H 1 90 GLU H 3.200 . 5.200 2.426 2.204 2.552 . 0 0 "[ . 1 .]" 1
962 1 88 LYS HA 1 90 GLU H 3.800 . 5.800 3.674 3.362 3.869 . 0 0 "[ . 1 .]" 1
963 1 90 GLU H 1 90 GLU QB 2.800 . 4.800 2.578 2.406 2.742 . 0 0 "[ . 1 .]" 1
964 1 89 ASN HA 1 90 GLU H 3.500 . 5.500 3.447 3.344 3.494 . 0 0 "[ . 1 .]" 1
965 1 89 ASN HB3 1 90 GLU H 4.200 . 6.200 3.155 2.936 3.945 . 0 0 "[ . 1 .]" 1
966 1 89 ASN HB2 1 90 GLU H 4.200 . 6.200 3.835 2.919 4.071 . 0 0 "[ . 1 .]" 1
967 1 62 ILE MD 1 76 VAL H 5.500 . 7.500 5.139 4.410 5.600 . 0 0 "[ . 1 .]" 1
968 1 134 ASN HA 1 135 TRP H 3.400 . 5.400 3.264 2.633 3.557 . 0 0 "[ . 1 .]" 1
969 1 135 TRP H 1 135 TRP QB 2.900 . 4.900 2.315 2.133 2.536 . 0 0 "[ . 1 .]" 1
970 1 133 THR HA 1 135 TRP H 4.500 . 6.500 3.868 3.077 5.083 . 0 0 "[ . 1 .]" 1
971 1 76 VAL H 1 76 VAL HB 3.100 . 5.100 2.643 2.365 2.951 . 0 0 "[ . 1 .]" 1
972 1 135 TRP H 1 135 TRP HD1 3.500 . 5.500 2.866 2.399 3.398 . 0 0 "[ . 1 .]" 1
973 1 134 ASN H 1 135 TRP H 3.500 . 5.500 2.711 2.596 2.972 . 0 0 "[ . 1 .]" 1
974 1 75 GLU HA 1 76 VAL H 3.100 . 5.100 2.221 2.150 2.323 . 0 0 "[ . 1 .]" 1
975 1 133 THR MG 1 135 TRP H 4.600 . 6.600 3.472 1.970 4.532 . 0 0 "[ . 1 .]" 1
976 1 88 LYS H 1 88 LYS QD 3.100 . 5.100 3.193 2.957 3.581 . 0 0 "[ . 1 .]" 1
977 1 87 CYS H 1 88 LYS H 3.200 . 5.200 2.732 2.583 2.875 . 0 0 "[ . 1 .]" 1
978 1 88 LYS H 1 89 ASN H 3.600 . 5.600 2.651 2.541 2.811 . 0 0 "[ . 1 .]" 1
979 1 88 LYS H 1 88 LYS HA 2.900 . 4.900 2.845 2.826 2.872 . 0 0 "[ . 1 .]" 1
980 1 81 GLU H 1 83 VAL H 4.600 . 6.600 4.148 3.939 4.444 . 0 0 "[ . 1 .]" 1
981 1 88 LYS H 1 88 LYS QB 2.600 . 4.600 2.262 2.175 2.342 . 0 0 "[ . 1 .]" 1
982 1 86 LEU H 1 88 LYS H 4.800 . 6.800 4.535 4.395 4.675 . 0 0 "[ . 1 .]" 1
983 1 88 LYS H 1 88 LYS HG2 3.000 . 5.000 2.678 2.523 2.855 . 0 0 "[ . 1 .]" 1
984 1 83 VAL H 1 84 PHE H 3.300 . 5.300 2.681 2.558 2.764 . 0 0 "[ . 1 .]" 1
985 1 85 GLU H 1 86 LEU H 3.800 . 5.800 2.599 2.514 2.687 . 0 0 "[ . 1 .]" 1
986 1 87 CYS HB2 1 88 LYS H 3.700 . 5.700 3.005 2.497 3.998 . 0 0 "[ . 1 .]" 1
987 1 80 VAL HA 1 83 VAL H 3.400 . 5.400 3.221 3.105 3.385 . 0 0 "[ . 1 .]" 1
988 1 82 GLU HB3 1 83 VAL H 2.900 . 4.900 2.597 2.360 2.836 . 0 0 "[ . 1 .]" 1
989 1 85 GLU H 1 88 LYS H 5.500 . 7.500 5.347 5.201 5.485 . 0 0 "[ . 1 .]" 1
990 1 83 VAL H 1 83 VAL HB 2.900 . 4.900 2.562 2.409 2.699 . 0 0 "[ . 1 .]" 1
991 1 81 GLU HA 1 83 VAL H 5.200 . 7.200 4.709 4.422 5.001 . 0 0 "[ . 1 .]" 1
992 1 87 CYS HB3 1 88 LYS H 3.700 . 5.700 3.241 2.506 3.798 . 0 0 "[ . 1 .]" 1
993 1 84 PHE QB 1 86 LEU H 4.800 . 6.800 4.839 4.655 5.102 . 0 0 "[ . 1 .]" 1
994 1 44 GLY QA 1 47 ASN H 3.600 . 5.600 3.147 2.877 3.306 . 0 0 "[ . 1 .]" 1
995 1 82 GLU H 1 83 VAL H 3.400 . 5.400 2.507 2.413 2.608 . 0 0 "[ . 1 .]" 1
996 1 80 VAL HA 1 82 GLU H 4.300 . 6.300 4.232 3.881 4.590 . 0 0 "[ . 1 .]" 1
997 1 82 GLU H 1 82 GLU HB3 3.100 . 5.100 2.465 2.196 2.602 . 0 0 "[ . 1 .]" 1
998 1 104 LEU H 1 104 LEU HB3 3.800 . 5.800 3.220 2.272 3.594 . 0 0 "[ . 1 .]" 1
999 1 104 LEU H 1 104 LEU MD2 4.500 . 6.500 3.358 1.989 4.285 . 0 0 "[ . 1 .]" 1
1000 1 104 LEU H 1 104 LEU MD1 4.500 . 6.500 3.185 1.888 4.084 . 0 0 "[ . 1 .]" 1
1001 1 104 LEU H 1 104 LEU HB2 3.800 . 5.800 2.550 2.142 3.611 . 0 0 "[ . 1 .]" 1
1002 1 103 ASP QB 1 104 LEU H 3.600 . 5.600 2.419 2.191 2.689 . 0 0 "[ . 1 .]" 1
1003 1 104 LEU H 1 104 LEU HG 4.000 . 6.000 3.241 1.935 4.484 . 0 0 "[ . 1 .]" 1
1004 1 141 GLU HB3 1 156 HIS H 5.500 . 7.500 5.821 5.433 6.121 . 0 0 "[ . 1 .]" 1
1005 1 115 THR MG 1 156 HIS H 5.400 . 7.400 4.828 4.227 5.313 . 0 0 "[ . 1 .]" 1
1006 1 116 LYS H 1 156 HIS H 4.500 . 6.500 4.233 3.740 4.702 . 0 0 "[ . 1 .]" 1
1007 1 155 TYR HB2 1 156 HIS H 4.400 . 6.400 4.354 4.124 4.490 . 0 0 "[ . 1 .]" 1
1008 1 155 TYR QE 1 156 HIS H 5.000 . 7.000 4.274 3.690 4.804 . 0 0 "[ . 1 .]" 1
1009 1 29 LEU MD1 1 30 GLN H 4.400 . 6.400 3.728 2.734 4.722 . 0 0 "[ . 1 .]" 1
1010 1 155 TYR HB3 1 156 HIS H 4.400 . 6.400 3.702 3.213 4.162 . 0 0 "[ . 1 .]" 1
1011 1 156 HIS H 1 157 VAL H 4.600 . 6.600 4.429 4.279 4.530 . 0 0 "[ . 1 .]" 1
1012 1 29 LEU HG 1 30 GLN H 3.800 . 5.800 2.934 2.089 4.470 . 0 0 "[ . 1 .]" 1
1013 1 140 VAL HA 1 156 HIS H 5.500 . 7.500 5.025 4.782 5.342 . 0 0 "[ . 1 .]" 1
1014 1 30 GLN H 1 30 GLN HE21 4.300 . 6.300 4.589 3.812 5.972 . 0 0 "[ . 1 .]" 1
1015 1 53 ARG H 1 53 ARG HB3 4.000 . 6.000 3.684 3.008 4.105 . 0 0 "[ . 1 .]" 1
1016 1 53 ARG H 1 53 ARG HB2 4.000 . 6.000 3.079 2.183 3.827 . 0 0 "[ . 1 .]" 1
1017 1 30 GLN H 1 30 GLN HE22 5.500 . 7.500 5.690 5.299 6.513 . 0 0 "[ . 1 .]" 1
1018 1 29 LEU HB2 1 30 GLN H 4.100 . 6.100 4.156 3.469 4.338 . 0 0 "[ . 1 .]" 1
1019 1 81 GLU H 1 82 GLU H 3.500 . 5.500 2.807 2.674 2.935 . 0 0 "[ . 1 .]" 1
1020 1 79 SER QB 1 81 GLU H 3.400 . 5.400 2.833 2.245 3.630 . 0 0 "[ . 1 .]" 1
1021 1 81 GLU H 1 81 GLU HB3 3.600 . 5.600 3.557 3.455 3.586 . 0 0 "[ . 1 .]" 1
1022 1 81 GLU H 1 81 GLU HG3 3.200 . 5.200 2.088 1.784 2.920 0.016 10 0 "[ . 1 .]" 1
1023 1 81 GLU H 1 81 GLU HG2 3.500 . 5.500 2.976 2.039 3.459 . 0 0 "[ . 1 .]" 1
1024 1 80 VAL H 1 81 GLU H 3.400 . 5.400 2.730 2.654 2.872 . 0 0 "[ . 1 .]" 1
1025 1 80 VAL MG2 1 81 GLU H 3.700 . 5.700 3.532 3.283 3.801 . 0 0 "[ . 1 .]" 1
1026 1 80 VAL MG1 1 81 GLU H 3.700 . 5.700 2.458 1.972 3.373 . 0 0 "[ . 1 .]" 1
1027 1 79 SER HA 1 81 GLU H 4.500 . 6.500 4.310 4.135 4.826 . 0 0 "[ . 1 .]" 1
1028 1 10 ASP HB3 1 12 ASN H 4.800 . 6.800 2.611 2.383 2.752 . 0 0 "[ . 1 .]" 1
1029 1 11 GLU QG 1 12 ASN H 3.900 . 5.900 2.225 1.969 2.772 . 0 0 "[ . 1 .]" 1
1030 1 11 GLU QB 1 12 ASN H 3.900 . 5.900 3.565 3.455 3.676 . 0 0 "[ . 1 .]" 1
1031 1 148 LYS QB 1 149 ASN H 3.800 . 5.800 3.385 2.602 3.979 . 0 0 "[ . 1 .]" 1
1032 1 10 ASP HB2 1 12 ASN H 4.800 . 6.800 3.991 3.770 4.262 . 0 0 "[ . 1 .]" 1
1033 1 149 ASN H 1 149 ASN HD22 4.600 . 6.600 4.212 3.027 4.994 . 0 0 "[ . 1 .]" 1
1034 1 149 ASN H 1 149 ASN HD21 4.600 . 6.600 3.399 2.383 4.773 . 0 0 "[ . 1 .]" 1
1035 1 146 ASP HA 1 149 ASN H 4.700 . 6.700 4.494 4.237 4.900 . 0 0 "[ . 1 .]" 1
1036 1 148 LYS HA 1 149 ASN H 3.400 . 5.400 3.375 3.110 3.548 . 0 0 "[ . 1 .]" 1
1037 1 147 GLU H 1 149 ASN H 4.500 . 6.500 3.747 3.348 4.106 . 0 0 "[ . 1 .]" 1
1038 1 109 VAL H 1 110 ASP H 4.700 . 6.700 4.578 4.388 4.649 . 0 0 "[ . 1 .]" 1
1039 1 106 LEU HA 1 109 VAL H 3.900 . 5.900 3.748 3.439 4.138 . 0 0 "[ . 1 .]" 1
1040 1 116 LYS H 1 154 TYR H 4.600 . 6.600 3.404 3.042 3.704 . 0 0 "[ . 1 .]" 1
1041 1 117 ILE MG 1 154 TYR H 5.000 . 7.000 5.151 4.737 5.526 . 0 0 "[ . 1 .]" 1
1042 1 93 ILE H 1 94 PHE QD 4.700 . 6.700 4.196 3.855 4.911 . 0 0 "[ . 1 .]" 1
1043 1 92 GLU QB 1 93 ILE H 3.800 . 5.800 3.372 3.203 3.629 . 0 0 "[ . 1 .]" 1
1044 1 109 VAL H 1 109 VAL HB 3.300 . 5.300 2.606 2.344 3.023 . 0 0 "[ . 1 .]" 1
1045 1 108 TYR QD 1 109 VAL H 4.600 . 6.600 4.499 4.252 4.753 . 0 0 "[ . 1 .]" 1
1046 1 108 TYR HB2 1 109 VAL H 4.300 . 6.300 3.219 2.496 3.999 . 0 0 "[ . 1 .]" 1
1047 1 154 TYR H 1 155 TYR H 4.700 . 6.700 4.371 4.231 4.449 . 0 0 "[ . 1 .]" 1
1048 1 153 TYR QD 1 154 TYR H 5.500 . 7.500 3.770 3.264 4.271 . 0 0 "[ . 1 .]" 1
1049 1 81 GLU HA 1 84 PHE H 4.100 . 6.100 3.846 3.702 3.967 . 0 0 "[ . 1 .]" 1
1050 1 84 PHE H 1 84 PHE QB 3.200 . 5.200 2.083 2.053 2.126 . 0 0 "[ . 1 .]" 1
1051 1 83 VAL MG2 1 84 PHE H 4.200 . 6.200 3.834 3.706 3.974 . 0 0 "[ . 1 .]" 1
1052 1 83 VAL HB 1 84 PHE H 3.400 . 5.400 2.735 2.604 2.833 . 0 0 "[ . 1 .]" 1
1053 1 84 PHE H 1 84 PHE QD 4.200 . 6.200 3.842 3.718 3.985 . 0 0 "[ . 1 .]" 1
1054 1 83 VAL MG1 1 84 PHE H 4.200 . 6.200 3.619 3.433 3.797 . 0 0 "[ . 1 .]" 1
1055 1 31 TYR HA 1 34 LYS H 4.000 . 6.000 3.746 3.604 3.973 . 0 0 "[ . 1 .]" 1
1056 1 34 LYS H 1 34 LYS QE 4.700 . 6.700 4.457 3.377 5.183 . 0 0 "[ . 1 .]" 1
1057 1 34 LYS H 1 34 LYS HB2 3.700 . 5.700 2.912 2.361 3.618 . 0 0 "[ . 1 .]" 1
1058 1 34 LYS H 1 34 LYS HB3 3.700 . 5.700 2.549 2.230 2.754 . 0 0 "[ . 1 .]" 1
1059 1 17 LYS HA 1 125 THR H 4.500 . 6.500 4.357 2.103 4.969 . 0 0 "[ . 1 .]" 1
1060 1 125 THR H 1 125 THR HB 3.900 . 5.900 2.958 2.700 3.197 . 0 0 "[ . 1 .]" 1
1061 1 124 ASP H 1 125 THR H 3.500 . 5.500 2.126 1.787 2.910 0.013 11 0 "[ . 1 .]" 1
1062 1 34 LYS H 1 35 THR H 3.300 . 5.300 2.557 2.468 2.757 . 0 0 "[ . 1 .]" 1
1063 1 125 THR H 1 125 THR MG 3.900 . 5.900 3.858 3.685 3.985 . 0 0 "[ . 1 .]" 1
1064 1 34 LYS H 1 35 THR MG 5.500 . 7.500 4.819 3.924 5.942 . 0 0 "[ . 1 .]" 1
1065 1 133 THR H 1 135 TRP H 4.800 . 6.800 4.533 4.045 5.323 . 0 0 "[ . 1 .]" 1
1066 1 131 ASP HA 1 133 THR H 4.400 . 6.400 3.842 3.323 4.754 . 0 0 "[ . 1 .]" 1
1067 1 132 MET HA 1 133 THR H 3.400 . 5.400 2.951 2.548 3.514 . 0 0 "[ . 1 .]" 1
1068 1 133 THR H 1 133 THR HB 3.200 . 5.200 2.559 2.318 2.783 . 0 0 "[ . 1 .]" 1
1069 1 103 ASP H 1 104 LEU HG 5.500 . 7.500 5.598 4.091 7.140 . 0 0 "[ . 1 .]" 1
1070 1 102 TYR QB 1 103 ASP H 3.300 . 5.300 2.807 2.312 3.233 . 0 0 "[ . 1 .]" 1
1071 1 26 PRO HA 1 29 LEU H 4.300 . 6.300 3.525 3.306 3.987 . 0 0 "[ . 1 .]" 1
1072 1 29 LEU H 1 30 GLN H 3.700 . 5.700 2.689 2.520 2.870 . 0 0 "[ . 1 .]" 1
1073 1 9 MET H 1 114 ILE HA 5.400 . 7.400 5.361 4.187 5.745 . 0 0 "[ . 1 .]" 1
1074 1 29 LEU H 1 29 LEU HB3 3.500 . 5.500 2.203 2.033 2.762 . 0 0 "[ . 1 .]" 1
1075 1 29 LEU H 1 29 LEU HG 3.900 . 5.900 3.626 2.431 4.543 . 0 0 "[ . 1 .]" 1
1076 1 29 LEU H 1 29 LEU MD2 3.600 . 5.600 3.680 3.049 4.015 . 0 0 "[ . 1 .]" 1
1077 1 28 GLU H 1 29 LEU H 3.900 . 5.900 2.626 2.458 2.825 . 0 0 "[ . 1 .]" 1
1078 1 29 LEU H 1 29 LEU HB2 3.900 . 5.900 3.125 2.221 3.605 . 0 0 "[ . 1 .]" 1
1079 1 8 ALA H 1 9 MET H 4.800 . 6.800 4.544 4.412 4.595 . 0 0 "[ . 1 .]" 1
1080 1 101 ILE MG 1 103 ASP H 5.000 . 7.000 5.071 4.700 5.463 . 0 0 "[ . 1 .]" 1
1081 1 9 MET H 1 117 ILE MD 4.800 . 6.800 3.639 2.929 4.850 . 0 0 "[ . 1 .]" 1
1082 1 9 MET H 1 15 ILE MG 4.800 . 6.800 4.422 3.763 4.971 . 0 0 "[ . 1 .]" 1
1083 1 9 MET H 1 115 THR HB 5.200 . 7.200 4.676 3.177 5.850 . 0 0 "[ . 1 .]" 1
1084 1 89 ASN H 1 89 ASN HD21 4.500 . 6.500 4.352 4.145 4.632 . 0 0 "[ . 1 .]" 1
1085 1 147 GLU H 1 147 GLU QB 3.200 . 5.200 2.407 2.199 2.649 . 0 0 "[ . 1 .]" 1
1086 1 89 ASN H 1 89 ASN HB3 3.300 . 5.300 2.839 2.713 3.602 . 0 0 "[ . 1 .]" 1
1087 1 98 GLY H 1 99 ALA HA 5.000 . 7.000 4.967 4.886 5.031 . 0 0 "[ . 1 .]" 1
1088 1 88 LYS HG3 1 89 ASN H 4.100 . 6.100 3.994 3.842 4.178 . 0 0 "[ . 1 .]" 1
1089 1 9 MET H 1 115 THR H 4.600 . 6.600 3.664 2.761 3.996 . 0 0 "[ . 1 .]" 1
1090 1 88 LYS QD 1 89 ASN H 4.100 . 6.100 4.441 4.178 4.882 . 0 0 "[ . 1 .]" 1
1091 1 98 GLY H 1 101 ILE HB 4.900 . 6.900 1.831 1.727 1.965 0.073 10 0 "[ . 1 .]" 1
1092 1 89 ASN H 1 89 ASN HB2 3.300 . 5.300 2.376 2.300 2.567 . 0 0 "[ . 1 .]" 1
1093 1 88 LYS HA 1 89 ASN H 3.500 . 5.500 3.308 3.224 3.369 . 0 0 "[ . 1 .]" 1
1094 1 89 ASN H 1 93 ILE MG 4.700 . 6.700 4.434 4.096 4.752 . 0 0 "[ . 1 .]" 1
1095 1 88 LYS HG2 1 89 ASN H 3.600 . 5.600 2.738 2.475 3.017 . 0 0 "[ . 1 .]" 1
1096 1 148 LYS H 1 148 LYS QB 2.800 . 4.800 2.512 2.045 2.944 . 0 0 "[ . 1 .]" 1
1097 1 147 GLU H 1 148 LYS H 3.900 . 5.900 2.609 2.393 2.899 . 0 0 "[ . 1 .]" 1
1098 1 148 LYS H 1 148 LYS QE 4.200 . 6.200 3.782 2.957 4.584 . 0 0 "[ . 1 .]" 1
1099 1 143 GLY H 1 155 TYR H 4.400 . 6.400 4.302 3.817 4.634 . 0 0 "[ . 1 .]" 1
1100 1 142 LYS H 1 143 GLY H 4.500 . 6.500 4.518 4.413 4.597 . 0 0 "[ . 1 .]" 1
1101 1 143 GLY H 1 153 TYR QD 4.400 . 6.400 3.816 3.055 4.397 . 0 0 "[ . 1 .]" 1
1102 1 143 GLY H 1 154 TYR H 4.900 . 6.900 4.912 4.642 5.129 . 0 0 "[ . 1 .]" 1
1103 1 143 GLY H 1 144 LEU H 4.500 . 6.500 4.263 4.021 4.453 . 0 0 "[ . 1 .]" 1
1104 1 143 GLY H 1 154 TYR HA 3.700 . 5.700 2.744 2.370 3.058 . 0 0 "[ . 1 .]" 1
1105 1 142 LYS QG 1 143 GLY H 4.000 . 6.000 3.343 2.625 3.759 . 0 0 "[ . 1 .]" 1
1106 1 143 GLY H 1 154 TYR QE 4.300 . 6.300 4.070 3.561 4.452 . 0 0 "[ . 1 .]" 1
1107 1 49 GLU H 1 62 ILE MG 4.600 . 6.600 4.672 4.203 5.133 . 0 0 "[ . 1 .]" 1
1108 1 48 TYR QD 1 49 GLU H 4.500 . 6.500 2.854 1.955 4.254 . 0 0 "[ . 1 .]" 1
1109 1 71 VAL HB 1 74 CYS H 3.800 . 5.800 3.606 3.155 4.145 . 0 0 "[ . 1 .]" 1
1110 1 73 GLY HA3 1 74 CYS H 3.500 . 5.500 3.044 2.771 3.174 . 0 0 "[ . 1 .]" 1
1111 1 72 GLU HA 1 74 CYS H 4.000 . 6.000 3.577 3.272 3.943 . 0 0 "[ . 1 .]" 1
1112 1 73 GLY H 1 74 CYS H 3.300 . 5.300 2.478 2.238 3.072 . 0 0 "[ . 1 .]" 1
1113 1 74 CYS H 1 74 CYS HB3 3.500 . 5.500 3.260 2.419 3.829 . 0 0 "[ . 1 .]" 1
1114 1 48 TYR H 1 49 GLU H 4.200 . 6.200 2.709 2.406 2.990 . 0 0 "[ . 1 .]" 1
1115 1 73 GLY HA2 1 74 CYS H 3.500 . 5.500 3.445 3.371 3.561 . 0 0 "[ . 1 .]" 1
1116 1 62 ILE MD 1 74 CYS H 4.700 . 6.700 4.723 4.249 5.066 . 0 0 "[ . 1 .]" 1
1117 1 74 CYS H 1 74 CYS HB2 3.500 . 5.500 2.910 2.576 3.644 . 0 0 "[ . 1 .]" 1
1118 1 49 GLU H 1 49 GLU QB 3.500 . 5.500 2.268 2.145 2.582 . 0 0 "[ . 1 .]" 1
1119 1 49 GLU H 1 49 GLU HG3 3.900 . 5.900 3.365 2.650 4.076 . 0 0 "[ . 1 .]" 1
1120 1 74 CYS H 1 75 GLU H 4.500 . 6.500 4.426 4.357 4.519 . 0 0 "[ . 1 .]" 1
1121 1 47 ASN HA 1 49 GLU H 5.100 . 7.100 4.530 4.189 4.930 . 0 0 "[ . 1 .]" 1
1122 1 49 GLU H 1 62 ILE MD 5.100 . 7.100 5.068 4.675 5.428 . 0 0 "[ . 1 .]" 1
1123 1 44 GLY H 1 48 TYR H 5.000 . 7.000 4.435 4.082 4.709 . 0 0 "[ . 1 .]" 1
1124 1 27 SER H 1 30 GLN H 5.100 . 7.100 4.854 4.698 5.009 . 0 0 "[ . 1 .]" 1
1125 1 27 SER H 1 29 LEU H 4.500 . 6.500 3.955 3.511 4.259 . 0 0 "[ . 1 .]" 1
1126 1 45 ARG H 1 48 TYR H 5.100 . 7.100 4.810 4.587 5.158 . 0 0 "[ . 1 .]" 1
1127 1 48 TYR H 1 51 ILE HB 5.500 . 7.500 4.978 4.231 5.520 . 0 0 "[ . 1 .]" 1
1128 1 48 TYR H 1 62 ILE HB 5.500 . 7.500 5.263 4.852 5.730 . 0 0 "[ . 1 .]" 1
1129 1 47 ASN QB 1 48 TYR H 3.900 . 5.900 2.580 2.082 3.347 . 0 0 "[ . 1 .]" 1
1130 1 47 ASN H 1 48 TYR H 4.400 . 6.400 2.686 2.445 2.990 . 0 0 "[ . 1 .]" 1
1131 1 43 MET QB 1 48 TYR H 4.000 . 6.000 3.896 3.551 4.704 . 0 0 "[ . 1 .]" 1
1132 1 27 SER H 1 27 SER QB 3.300 . 5.300 2.486 2.209 2.719 . 0 0 "[ . 1 .]" 1
1133 1 48 TYR H 1 48 TYR QD 4.400 . 6.400 3.956 3.445 4.171 . 0 0 "[ . 1 .]" 1
1134 1 27 SER H 1 148 LYS QG 5.500 . 7.500 5.066 4.601 6.005 . 0 0 "[ . 1 .]" 1
1135 1 26 PRO HB2 1 27 SER H 3.900 . 5.900 3.381 2.754 3.768 . 0 0 "[ . 1 .]" 1
1136 1 26 PRO HG3 1 27 SER H 4.100 . 6.100 4.444 4.196 4.748 . 0 0 "[ . 1 .]" 1
1137 1 27 SER H 1 28 GLU H 4.000 . 6.000 2.486 2.340 2.694 . 0 0 "[ . 1 .]" 1
1138 1 48 TYR H 1 62 ILE MG 4.800 . 6.800 3.614 3.306 3.992 . 0 0 "[ . 1 .]" 1
1139 1 11 GLU H 1 11 GLU QB 3.400 . 5.400 2.534 2.311 2.693 . 0 0 "[ . 1 .]" 1
1140 1 10 ASP HB3 1 11 GLU H 4.500 . 6.500 3.323 3.118 3.500 . 0 0 "[ . 1 .]" 1
1141 1 10 ASP HB2 1 11 GLU H 4.500 . 6.500 4.335 4.181 4.458 . 0 0 "[ . 1 .]" 1
1142 1 78 HIS H 1 78 HIS HB3 4.000 . 6.000 3.248 3.176 3.413 . 0 0 "[ . 1 .]" 1
1143 1 11 GLU H 1 12 ASN H 4.000 . 6.000 2.772 2.674 2.883 . 0 0 "[ . 1 .]" 1
1144 1 11 GLU H 1 117 ILE MG 4.900 . 6.900 4.398 4.058 4.779 . 0 0 "[ . 1 .]" 1
1145 1 11 GLU H 1 120 ALA MB 4.000 . 6.000 3.068 2.748 4.528 . 0 0 "[ . 1 .]" 1
1146 1 78 HIS H 1 82 GLU H 5.400 . 7.400 5.197 4.875 5.626 . 0 0 "[ . 1 .]" 1
1147 1 78 HIS H 1 82 GLU HB3 3.800 . 5.800 2.960 2.633 3.332 . 0 0 "[ . 1 .]" 1
1148 1 78 HIS H 1 78 HIS HB2 4.000 . 6.000 2.170 2.106 2.263 . 0 0 "[ . 1 .]" 1
1149 1 77 ALA HA 1 78 HIS H 3.500 . 5.500 2.415 2.297 2.566 . 0 0 "[ . 1 .]" 1
1150 1 17 LYS HA 1 124 ASP H 3.800 . 5.800 3.489 1.852 4.098 . 0 0 "[ . 1 .]" 1
1151 1 64 THR H 1 78 HIS H 5.300 . 7.300 4.885 4.712 5.052 . 0 0 "[ . 1 .]" 1
1152 1 18 ASP H 1 124 ASP H 5.000 . 7.000 4.667 3.954 5.233 . 0 0 "[ . 1 .]" 1
1153 1 124 ASP H 1 125 THR HB 5.500 . 7.500 4.858 4.546 5.582 . 0 0 "[ . 1 .]" 1
1154 1 15 ILE H 1 125 THR HB 4.800 . 6.800 2.932 2.419 3.528 . 0 0 "[ . 1 .]" 1
1155 1 15 ILE H 1 127 PHE H 5.500 . 7.500 5.109 4.501 5.840 . 0 0 "[ . 1 .]" 1
1156 1 87 CYS H 1 87 CYS HB2 3.600 . 5.600 2.461 2.111 2.779 . 0 0 "[ . 1 .]" 1
1157 1 85 GLU H 1 87 CYS H 4.100 . 6.100 4.000 3.776 4.096 . 0 0 "[ . 1 .]" 1
1158 1 86 LEU HA 1 87 CYS H 3.500 . 5.500 3.483 3.467 3.510 . 0 0 "[ . 1 .]" 1
1159 1 87 CYS H 1 89 ASN H 4.800 . 6.800 3.900 3.775 4.034 . 0 0 "[ . 1 .]" 1
1160 1 87 CYS H 1 87 CYS HB3 3.600 . 5.600 3.244 2.311 3.591 . 0 0 "[ . 1 .]" 1
1161 1 86 LEU HB2 1 87 CYS H 3.800 . 5.800 3.342 2.811 3.566 . 0 0 "[ . 1 .]" 1
1162 1 86 LEU H 1 87 CYS H 3.500 . 5.500 2.757 2.653 2.836 . 0 0 "[ . 1 .]" 1
1163 1 86 LEU HB3 1 87 CYS H 3.800 . 5.800 3.324 3.158 3.845 . 0 0 "[ . 1 .]" 1
1164 1 72 GLU H 1 73 GLY H 4.600 . 6.600 4.475 4.309 4.567 . 0 0 "[ . 1 .]" 1
1165 1 72 GLU QB 1 73 GLY H 3.900 . 5.900 3.360 3.158 3.628 . 0 0 "[ . 1 .]" 1
1166 1 71 VAL HB 1 73 GLY H 5.500 . 7.500 5.479 4.863 5.948 . 0 0 "[ . 1 .]" 1
1167 1 72 GLU HA 1 73 GLY H 3.300 . 5.300 2.154 2.144 2.190 . 0 0 "[ . 1 .]" 1
1168 1 72 GLU QG 1 73 GLY H 4.500 . 6.500 4.201 3.708 4.455 . 0 0 "[ . 1 .]" 1
1169 1 18 ASP HB3 1 19 ASN H 4.600 . 6.600 4.217 1.765 4.603 0.035 6 0 "[ . 1 .]" 1
1170 1 18 ASP H 1 19 ASN H 4.000 . 6.000 3.230 2.692 3.824 . 0 0 "[ . 1 .]" 1
1171 1 18 ASP HA 1 19 ASN H 3.500 . 5.500 2.447 2.202 3.256 . 0 0 "[ . 1 .]" 1
1172 1 18 ASP HB2 1 19 ASN H 4.600 . 6.600 4.434 2.159 4.664 . 0 0 "[ . 1 .]" 1
1173 1 107 PRO QG 1 108 TYR H 3.800 . 5.800 3.585 2.886 4.170 . 0 0 "[ . 1 .]" 1
1174 1 108 TYR H 1 109 VAL HB 4.700 . 6.700 4.332 3.800 4.633 . 0 0 "[ . 1 .]" 1
1175 1 107 PRO HB3 1 108 TYR H 4.600 . 6.600 4.541 4.371 4.681 . 0 0 "[ . 1 .]" 1
1176 1 108 TYR H 1 108 TYR HB3 3.800 . 5.800 3.551 2.785 3.785 . 0 0 "[ . 1 .]" 1
1177 1 108 TYR H 1 109 VAL H 3.100 . 5.100 2.022 1.771 2.353 0.029 12 0 "[ . 1 .]" 1
1178 1 107 PRO HB2 1 108 TYR H 4.000 . 6.000 4.022 3.687 4.329 . 0 0 "[ . 1 .]" 1
1179 1 108 TYR H 1 108 TYR HB2 3.800 . 5.800 2.524 2.315 2.856 . 0 0 "[ . 1 .]" 1
1180 1 108 TYR H 1 108 TYR QD 4.400 . 6.400 3.337 2.407 4.332 . 0 0 "[ . 1 .]" 1
1181 1 105 PHE H 1 105 PHE HB2 3.900 . 5.900 2.390 2.150 3.584 . 0 0 "[ . 1 .]" 1
1182 1 105 PHE H 1 105 PHE HB3 3.900 . 5.900 3.391 2.780 3.639 . 0 0 "[ . 1 .]" 1
1183 1 13 ARG H 1 13 ARG QD 4.800 . 6.800 4.043 2.726 4.761 . 0 0 "[ . 1 .]" 1
1184 1 13 ARG H 1 13 ARG QB 3.400 . 5.400 2.800 2.398 3.410 . 0 0 "[ . 1 .]" 1
1185 1 12 ASN H 1 13 ARG H 3.100 . 5.100 2.065 1.887 2.668 . 0 0 "[ . 1 .]" 1
1186 1 11 GLU H 1 13 ARG H 4.400 . 6.400 3.947 3.797 4.247 . 0 0 "[ . 1 .]" 1
1187 1 44 GLY H 1 101 ILE MG 5.100 . 7.100 5.132 4.649 5.645 . 0 0 "[ . 1 .]" 1
1188 1 44 GLY H 1 47 ASN QB 4.500 . 6.500 2.813 2.099 3.892 . 0 0 "[ . 1 .]" 1
1189 1 44 GLY H 1 101 ILE MD 4.500 . 6.500 4.910 3.749 5.389 . 0 0 "[ . 1 .]" 1
1190 1 44 GLY H 1 98 GLY H 5.100 . 7.100 4.963 4.643 5.297 . 0 0 "[ . 1 .]" 1
1191 1 43 MET QB 1 44 GLY H 4.200 . 6.200 2.576 2.294 3.074 . 0 0 "[ . 1 .]" 1
1192 1 44 GLY H 1 47 ASN H 5.100 . 7.100 4.149 3.656 4.458 . 0 0 "[ . 1 .]" 1
1193 1 79 SER H 1 81 GLU H 4.800 . 6.800 4.593 4.328 5.245 . 0 0 "[ . 1 .]" 1
1194 1 78 HIS HA 1 79 SER H 3.500 . 5.500 2.660 2.568 2.787 . 0 0 "[ . 1 .]" 1
1195 1 78 HIS HB3 1 79 SER H 4.100 . 6.100 2.183 1.818 2.386 . 0 0 "[ . 1 .]" 1
1196 1 79 SER H 1 79 SER QB 3.300 . 5.300 2.291 2.042 2.523 . 0 0 "[ . 1 .]" 1
1197 1 78 HIS HB2 1 79 SER H 4.100 . 6.100 3.637 3.409 3.774 . 0 0 "[ . 1 .]" 1
1198 1 67 GLU HA 1 68 GLY H 2.800 . 4.800 2.160 2.146 2.175 . 0 0 "[ . 1 .]" 1
1199 1 68 GLY H 1 69 TYR H 3.100 . 5.100 2.210 2.050 2.350 . 0 0 "[ . 1 .]" 1
1200 1 122 GLU QB 1 123 GLY H 3.900 . 5.900 3.363 2.291 3.752 . 0 0 "[ . 1 .]" 1
1201 1 122 GLU HA 1 123 GLY H 3.000 . 5.000 2.205 2.144 2.523 . 0 0 "[ . 1 .]" 1
1202 1 51 ILE HB 1 52 GLY H 4.000 . 6.000 2.563 2.230 3.146 . 0 0 "[ . 1 .]" 1
1203 1 49 GLU QB 1 52 GLY H 5.500 . 7.500 5.243 4.831 5.541 . 0 0 "[ . 1 .]" 1
1204 1 15 ILE MD 1 16 GLY H 3.800 . 5.800 3.604 1.714 4.881 0.086 7 0 "[ . 1 .]" 1
1205 1 15 ILE H 1 16 GLY H 4.000 . 6.000 2.066 1.683 3.015 0.117 14 0 "[ . 1 .]" 1
1206 1 16 GLY H 1 125 THR MG 4.200 . 6.200 3.774 3.383 4.509 . 0 0 "[ . 1 .]" 1
1207 1 50 ALA H 1 52 GLY H 4.500 . 6.500 4.088 3.687 4.383 . 0 0 "[ . 1 .]" 1
1208 1 16 GLY H 1 125 THR HB 3.900 . 5.900 2.190 1.771 3.017 0.029 2 0 "[ . 1 .]" 1
1209 1 35 THR H 1 36 THR H 4.500 . 6.500 2.372 2.211 2.693 . 0 0 "[ . 1 .]" 1
1210 1 1 MET HA 1 2 ILE QG 5.200 . 7.200 3.759 3.135 4.041 . 0 0 "[ . 1 .]" 1
1211 1 2 ILE H 1 2 ILE QG 3.300 . 5.300 2.663 2.452 3.064 . 0 0 "[ . 1 .]" 1
1212 1 2 ILE QG 1 2 ILE MG 2.600 . 4.600 2.269 2.089 2.434 . 0 0 "[ . 1 .]" 1
1213 1 2 ILE MG 1 4 SER QB 4.400 . 6.400 3.793 3.180 4.346 . 0 0 "[ . 1 .]" 1
1214 1 2 ILE MG 1 111 LYS QB 3.200 . 5.200 3.235 2.789 3.677 . 0 0 "[ . 1 .]" 1
1215 1 3 VAL H 1 109 VAL QG 5.300 . 7.300 4.385 3.985 5.023 . 0 0 "[ . 1 .]" 1
1216 1 3 VAL QG 1 4 SER H 3.500 . 5.500 3.059 2.570 3.451 . 0 0 "[ . 1 .]" 1
1217 1 3 VAL QG 1 4 SER HA 5.200 . 7.200 4.096 3.348 4.465 . 0 0 "[ . 1 .]" 1
1218 1 4 SER H 1 109 VAL QG 5.000 . 7.000 4.201 3.505 5.057 . 0 0 "[ . 1 .]" 1
1219 1 4 SER HA 1 109 VAL QG 4.000 . 6.000 3.054 2.600 3.852 . 0 0 "[ . 1 .]" 1
1220 1 4 SER HA 1 111 LYS QB 4.100 . 6.100 2.375 2.119 4.179 . 0 0 "[ . 1 .]" 1
1221 1 4 SER HA 1 112 LEU QD 5.400 . 7.400 5.060 4.507 5.523 . 0 0 "[ . 1 .]" 1
1222 1 5 PHE H 1 109 VAL QG 3.600 . 5.600 3.141 2.751 3.777 . 0 0 "[ . 1 .]" 1
1223 1 5 PHE H 1 112 LEU QD 4.100 . 6.100 3.743 3.399 4.198 . 0 0 "[ . 1 .]" 1
1224 1 5 PHE HA 1 109 VAL QG 4.500 . 6.500 3.905 3.503 4.323 . 0 0 "[ . 1 .]" 1
1225 1 5 PHE HA 1 112 LEU QD 5.400 . 7.400 4.404 4.205 4.725 . 0 0 "[ . 1 .]" 1
1226 1 5 PHE QB 1 5 PHE HE2 4.800 . 6.800 4.374 4.320 4.406 . 0 0 "[ . 1 .]" 1
1227 1 5 PHE QB 1 109 VAL QG 5.000 . 7.000 2.216 1.952 2.739 . 0 0 "[ . 1 .]" 1
1228 1 5 PHE QB 1 112 LEU QD 3.300 . 5.300 2.008 1.915 2.159 . 0 0 "[ . 1 .]" 1
1229 1 5 PHE QB 1 113 TYR QD 5.300 . 7.300 4.787 4.225 5.325 . 0 0 "[ . 1 .]" 1
1230 1 5 PHE HE2 1 109 VAL QG 4.900 . 6.900 3.960 2.285 4.816 . 0 0 "[ . 1 .]" 1
1231 1 6 MET H 1 112 LEU QD 5.400 . 8.100 4.875 4.471 5.417 . 0 0 "[ . 1 .]" 1
1232 1 6 MET HA 1 7 VAL QG 4.400 . 6.400 3.606 3.302 3.955 . 0 0 "[ . 1 .]" 1
1233 1 6 MET QB 1 7 VAL QG 5.300 . 7.300 4.472 3.902 4.859 . 0 0 "[ . 1 .]" 1
1234 1 6 MET QG 1 7 VAL H 4.300 . 6.300 3.553 2.794 4.392 . 0 0 "[ . 1 .]" 1
1235 1 7 VAL H 1 7 VAL QG 3.400 . 5.400 2.211 2.004 2.811 . 0 0 "[ . 1 .]" 1
1236 1 7 VAL H 1 113 TYR QB 4.500 . 6.500 3.732 3.380 4.946 . 0 0 "[ . 1 .]" 1
1237 1 7 VAL QG 1 8 ALA H 3.200 . 5.200 2.237 2.014 3.281 . 0 0 "[ . 1 .]" 1
1238 1 7 VAL QG 1 8 ALA MB 4.500 . 6.500 3.539 3.315 4.156 . 0 0 "[ . 1 .]" 1
1239 1 7 VAL QG 1 9 MET H 5.400 . 7.400 4.483 3.734 5.061 . 0 0 "[ . 1 .]" 1
1240 1 7 VAL QG 1 15 ILE MG 2.900 . 4.900 2.212 1.860 3.004 . 0 0 "[ . 1 .]" 1
1241 1 7 VAL QG 1 15 ILE MD 5.400 . 7.400 3.306 2.916 3.915 . 0 0 "[ . 1 .]" 1
1242 1 7 VAL QG 1 102 TYR QB 4.500 . 6.500 3.079 2.430 4.336 . 0 0 "[ . 1 .]" 1
1243 1 7 VAL QG 1 102 TYR QD 4.300 . 6.300 3.019 2.106 3.929 . 0 0 "[ . 1 .]" 1
1244 1 7 VAL QG 1 112 LEU QD 4.400 . 6.400 2.677 2.010 3.245 . 0 0 "[ . 1 .]" 1
1245 1 7 VAL QG 1 114 ILE H 5.000 . 7.000 4.622 4.079 5.258 . 0 0 "[ . 1 .]" 1
1246 1 7 VAL QG 1 114 ILE MG 3.200 . 5.200 2.349 2.046 2.867 . 0 0 "[ . 1 .]" 1
1247 1 7 VAL QG 1 114 ILE HG12 3.900 . 5.900 3.026 1.975 3.812 . 0 0 "[ . 1 .]" 1
1248 1 7 VAL QG 1 114 ILE HG13 3.200 . 5.200 2.667 2.043 3.278 . 0 0 "[ . 1 .]" 1
1249 1 7 VAL QG 1 114 ILE MD 3.700 . 7.300 3.712 3.103 4.277 . 0 0 "[ . 1 .]" 1
1250 1 7 VAL QG 1 115 THR H 4.600 . 6.600 3.808 3.499 4.507 . 0 0 "[ . 1 .]" 1
1251 1 9 MET H 1 9 MET QG 4.700 . 6.700 3.938 3.539 4.310 . 0 0 "[ . 1 .]" 1
1252 1 10 ASP H 1 14 VAL QG 5.100 . 7.100 3.636 3.289 3.893 . 0 0 "[ . 1 .]" 1
1253 1 10 ASP QB 1 11 GLU H 3.600 . 5.600 3.222 3.037 3.380 . 0 0 "[ . 1 .]" 1
1254 1 10 ASP QB 1 12 ASN H 4.000 . 6.000 2.577 2.362 2.701 . 0 0 "[ . 1 .]" 1
1255 1 10 ASP QB 1 13 ARG H 3.700 . 5.700 2.095 1.740 3.335 0.060 6 0 "[ . 1 .]" 1
1256 1 11 GLU QG 1 12 ASN QB 4.200 . 6.200 2.928 2.576 3.419 . 0 0 "[ . 1 .]" 1
1257 1 11 GLU QG 1 12 ASN QD 3.800 . 5.800 2.265 1.692 3.265 0.208 15 0 "[ . 1 .]" 1
1258 1 12 ASN H 1 12 ASN QB 3.600 . 5.600 2.392 2.198 2.764 . 0 0 "[ . 1 .]" 1
1259 1 12 ASN H 1 12 ASN QD 4.000 . 6.000 3.127 1.446 3.862 0.354 3 0 "[ . 1 .]" 1
1260 1 12 ASN QB 1 13 ARG H 4.400 . 6.400 3.328 3.101 3.708 . 0 0 "[ . 1 .]" 1
1261 1 12 ASN QB 1 13 ARG QB 5.300 . 7.300 4.112 3.635 4.445 . 0 0 "[ . 1 .]" 1
1262 1 12 ASN QB 1 122 GLU H 5.200 . 7.200 4.358 2.721 5.898 . 0 0 "[ . 1 .]" 1
1263 1 12 ASN QD 1 120 ALA MB 3.300 . 5.300 3.139 1.705 3.573 0.095 3 0 "[ . 1 .]" 1
1264 1 14 VAL H 1 14 VAL QG 3.000 . 5.000 2.464 2.129 2.814 . 0 0 "[ . 1 .]" 1
1265 1 14 VAL QG 1 15 ILE H 3.300 . 5.300 1.824 1.530 3.147 0.270 14 0 "[ . 1 .]" 1
1266 1 15 ILE H 1 15 ILE QG 4.800 . 6.800 2.334 2.099 2.592 . 0 0 "[ . 1 .]" 1
1267 1 15 ILE QG 1 16 GLY H 3.600 . 5.600 1.987 1.709 3.235 0.091 7 0 "[ . 1 .]" 1
1268 1 15 ILE QG 1 99 ALA MB 4.500 . 6.500 3.221 2.407 4.643 . 0 0 "[ . 1 .]" 1
1269 1 17 LYS H 1 17 LYS QG 3.900 . 5.900 2.773 1.932 3.997 . 0 0 "[ . 1 .]" 1
1270 1 17 LYS H 1 17 LYS QD 4.400 . 6.400 3.952 3.259 4.382 . 0 0 "[ . 1 .]" 1
1271 1 17 LYS H 1 17 LYS QE 4.500 . 6.500 5.026 4.091 5.885 . 0 0 "[ . 1 .]" 1
1272 1 17 LYS QB 1 17 LYS QD 3.100 . 5.100 2.118 2.047 2.234 . 0 0 "[ . 1 .]" 1
1273 1 17 LYS QB 1 17 LYS QE 4.300 . 6.300 3.225 2.112 3.588 . 0 0 "[ . 1 .]" 1
1274 1 17 LYS QB 1 18 ASP H 4.300 . 6.300 3.167 1.837 3.649 . 0 0 "[ . 1 .]" 1
1275 1 17 LYS QB 1 18 ASP QB 4.700 . 6.700 3.869 3.383 4.299 . 0 0 "[ . 1 .]" 1
1276 1 17 LYS QB 1 124 ASP H 5.300 . 7.300 4.855 2.167 5.527 . 0 0 "[ . 1 .]" 1
1277 1 17 LYS QE 1 17 LYS QG 2.700 . 4.700 2.284 2.058 2.739 . 0 0 "[ . 1 .]" 1
1278 1 17 LYS QG 1 18 ASP H 3.800 . 5.800 2.242 1.664 3.529 0.136 12 0 "[ . 1 .]" 1
1279 1 17 LYS QG 1 18 ASP QB 3.500 . 5.500 2.616 2.103 3.279 . 0 0 "[ . 1 .]" 1
1280 1 17 LYS QD 1 17 LYS QE 2.300 . 4.300 2.042 1.944 2.108 . 0 0 "[ . 1 .]" 1
1281 1 17 LYS QD 1 18 ASP H 3.800 . 5.800 3.691 2.811 4.215 . 0 0 "[ . 1 .]" 1
1282 1 17 LYS QD 1 18 ASP QB 3.000 . 5.000 3.231 1.866 4.085 . 0 0 "[ . 1 .]" 1
1283 1 17 LYS QD 1 19 ASN H 5.300 . 7.300 6.224 5.369 6.633 . 0 0 "[ . 1 .]" 1
1284 1 19 ASN H 1 19 ASN QB 3.500 . 5.500 3.179 2.694 3.514 . 0 0 "[ . 1 .]" 1
1285 1 19 ASN QB 1 50 ALA MB 4.200 . 6.200 3.509 2.584 4.386 . 0 0 "[ . 1 .]" 1
1286 1 26 PRO HB2 1 149 ASN QD 5.300 . 7.300 5.198 4.426 5.980 . 0 0 "[ . 1 .]" 1
1287 1 26 PRO HB3 1 149 ASN QD 4.800 . 6.800 4.763 3.823 5.506 . 0 0 "[ . 1 .]" 1
1288 1 26 PRO HG2 1 149 ASN QD 4.500 . 6.500 3.740 2.620 4.946 . 0 0 "[ . 1 .]" 1
1289 1 26 PRO HG3 1 149 ASN QD 4.000 . 6.000 3.316 2.008 4.010 . 0 0 "[ . 1 .]" 1
1290 1 26 PRO QD 1 27 SER H 4.800 . 6.800 2.877 2.729 3.199 . 0 0 "[ . 1 .]" 1
1291 1 27 SER H 1 28 GLU QB 5.200 . 7.200 4.243 4.101 4.422 . 0 0 "[ . 1 .]" 1
1292 1 29 LEU H 1 30 GLN QB 4.800 . 6.800 4.702 4.284 5.428 . 0 0 "[ . 1 .]" 1
1293 1 29 LEU HG 1 30 GLN QB 4.200 . 6.200 4.130 3.436 5.476 . 0 0 "[ . 1 .]" 1
1294 1 30 GLN H 1 30 GLN QB 3.000 . 5.000 2.365 2.060 3.026 . 0 0 "[ . 1 .]" 1
1295 1 30 GLN HA 1 33 LYS QD 5.300 . 7.300 3.203 2.190 5.227 . 0 0 "[ . 1 .]" 1
1296 1 30 GLN QB 1 31 TYR H 3.900 . 5.900 2.744 2.461 3.479 . 0 0 "[ . 1 .]" 1
1297 1 31 TYR H 1 31 TYR QB 3.500 . 5.500 2.246 2.178 2.345 . 0 0 "[ . 1 .]" 1
1298 1 31 TYR QB 1 32 VAL H 4.000 . 6.000 2.445 2.256 2.665 . 0 0 "[ . 1 .]" 1
1299 1 33 LYS H 1 33 LYS QG 4.100 . 6.100 3.360 2.298 4.019 . 0 0 "[ . 1 .]" 1
1300 1 33 LYS H 1 33 LYS QD 4.500 . 6.500 4.084 3.538 4.634 . 0 0 "[ . 1 .]" 1
1301 1 33 LYS HA 1 33 LYS QD 4.500 . 6.500 3.909 2.567 4.257 . 0 0 "[ . 1 .]" 1
1302 1 33 LYS QG 1 34 LYS H 4.700 . 6.700 2.924 1.809 4.310 . 0 0 "[ . 1 .]" 1
1303 1 33 LYS QD 1 34 LYS H 4.900 . 6.900 3.971 2.889 5.011 . 0 0 "[ . 1 .]" 1
1304 1 34 LYS H 1 34 LYS QB 3.100 . 5.100 2.307 2.207 2.521 . 0 0 "[ . 1 .]" 1
1305 1 34 LYS H 1 34 LYS QG 4.100 . 6.100 3.323 2.022 4.055 . 0 0 "[ . 1 .]" 1
1306 1 34 LYS QB 1 34 LYS QE 3.300 . 5.300 2.331 2.057 3.396 . 0 0 "[ . 1 .]" 1
1307 1 34 LYS QB 1 35 THR HA 4.500 . 6.500 4.314 3.997 4.758 . 0 0 "[ . 1 .]" 1
1308 1 34 LYS QG 1 35 THR HA 4.200 . 6.200 3.685 3.102 4.182 . 0 0 "[ . 1 .]" 1
1309 1 36 THR H 1 37 MET QG 5.300 . 7.300 4.368 3.614 5.364 . 0 0 "[ . 1 .]" 1
1310 1 37 MET H 1 37 MET QB 3.200 . 5.200 2.353 2.104 3.341 . 0 0 "[ . 1 .]" 1
1311 1 37 MET H 1 37 MET QG 3.700 . 5.700 2.648 2.069 3.572 . 0 0 "[ . 1 .]" 1
1312 1 37 MET QG 1 38 GLY H 4.800 . 6.800 3.795 3.110 4.732 . 0 0 "[ . 1 .]" 1
1313 1 39 HIS H 1 39 HIS QB 3.500 . 5.500 2.670 2.236 3.154 . 0 0 "[ . 1 .]" 1
1314 1 41 LEU QB 1 42 ILE H 3.900 . 5.900 3.623 3.288 3.901 . 0 0 "[ . 1 .]" 1
1315 1 41 LEU HG 1 94 PHE QB 4.800 . 6.800 3.472 2.183 4.682 . 0 0 "[ . 1 .]" 1
1316 1 41 LEU QD 1 42 ILE H 3.900 . 5.900 3.102 2.441 4.128 . 0 0 "[ . 1 .]" 1
1317 1 41 LEU QD 1 94 PHE H 4.400 . 6.400 3.935 3.032 4.691 . 0 0 "[ . 1 .]" 1
1318 1 41 LEU QD 1 94 PHE QB 3.200 . 5.200 2.173 1.767 2.827 0.033 11 0 "[ . 1 .]" 1
1319 1 41 LEU QD 1 94 PHE QD 4.000 . 6.000 3.249 2.140 3.792 . 0 0 "[ . 1 .]" 1
1320 1 41 LEU QD 1 96 PHE H 5.300 . 7.300 3.746 2.861 5.060 . 0 0 "[ . 1 .]" 1
1321 1 42 ILE MG 1 43 MET QG 5.100 . 7.100 4.280 3.975 5.061 . 0 0 "[ . 1 .]" 1
1322 1 43 MET H 1 43 MET QG 4.000 . 6.000 2.643 1.716 4.048 0.084 13 0 "[ . 1 .]" 1
1323 1 43 MET QB 1 48 TYR QB 4.000 . 6.000 3.211 2.734 3.528 . 0 0 "[ . 1 .]" 1
1324 1 43 MET QB 1 97 GLY QA 4.800 . 6.800 3.915 3.603 4.363 . 0 0 "[ . 1 .]" 1
1325 1 43 MET QG 1 96 PHE H 4.800 . 6.800 3.692 3.030 5.121 . 0 0 "[ . 1 .]" 1
1326 1 43 MET QG 1 96 PHE QB 4.400 . 6.400 2.366 1.934 4.777 . 0 0 "[ . 1 .]" 1
1327 1 43 MET QG 1 96 PHE QD 4.500 . 6.500 3.591 2.211 4.040 . 0 0 "[ . 1 .]" 1
1328 1 44 GLY H 1 97 GLY QA 4.900 . 6.900 2.473 2.093 3.167 . 0 0 "[ . 1 .]" 1
1329 1 44 GLY H 1 101 ILE QG 5.300 . 7.300 4.492 3.886 6.132 . 0 0 "[ . 1 .]" 1
1330 1 45 ARG QB 1 46 LYS H 4.200 . 6.200 3.116 2.128 3.586 . 0 0 "[ . 1 .]" 1
1331 1 45 ARG QB 1 62 ILE HG13 4.700 . 6.700 4.774 4.177 5.521 . 0 0 "[ . 1 .]" 1
1332 1 45 ARG QB 1 62 ILE MD 4.000 . 6.000 3.473 3.056 4.255 . 0 0 "[ . 1 .]" 1
1333 1 48 TYR H 1 48 TYR QB 3.600 . 5.600 2.164 2.046 2.263 . 0 0 "[ . 1 .]" 1
1334 1 48 TYR QB 1 62 ILE HB 4.400 . 6.400 3.642 3.372 4.331 . 0 0 "[ . 1 .]" 1
1335 1 48 TYR QB 1 62 ILE MD 3.600 . 5.600 3.096 2.695 3.543 . 0 0 "[ . 1 .]" 1
1336 1 49 GLU QG 1 50 ALA H 4.800 . 6.800 3.272 1.937 4.423 . 0 0 "[ . 1 .]" 1
1337 1 50 ALA MB 1 51 ILE QG 4.600 . 6.600 3.348 2.685 4.387 . 0 0 "[ . 1 .]" 1
1338 1 51 ILE HA 1 52 GLY QA 4.800 . 6.800 4.338 4.250 4.448 . 0 0 "[ . 1 .]" 1
1339 1 51 ILE MG 1 52 GLY QA 4.200 . 6.200 3.556 2.963 3.949 . 0 0 "[ . 1 .]" 1
1340 1 51 ILE QG 1 52 GLY H 5.000 . 7.000 4.157 3.715 4.698 . 0 0 "[ . 1 .]" 1
1341 1 59 ARG QB 1 60 ASN H 4.100 . 6.100 3.827 2.379 4.051 . 0 0 "[ . 1 .]" 1
1342 1 60 ASN H 1 60 ASN QB 3.600 . 5.600 2.653 2.260 3.175 . 0 0 "[ . 1 .]" 1
1343 1 60 ASN H 1 60 ASN QD 3.700 . 5.700 3.059 1.790 3.844 0.010 4 0 "[ . 1 .]" 1
1344 1 60 ASN QB 1 61 ILE MD 5.200 . 7.200 4.619 4.138 5.329 . 0 0 "[ . 1 .]" 1
1345 1 61 ILE H 1 61 ILE QG 3.700 . 5.700 2.666 1.987 3.066 . 0 0 "[ . 1 .]" 1
1346 1 61 ILE QG 1 61 ILE MG 2.800 . 4.800 2.134 1.909 2.376 . 0 0 "[ . 1 .]" 1
1347 1 61 ILE MG 1 75 GLU QB 3.300 . 5.300 2.325 2.047 2.878 . 0 0 "[ . 1 .]" 1
1348 1 61 ILE QG 1 62 ILE H 4.600 . 6.600 4.422 4.168 4.849 . 0 0 "[ . 1 .]" 1
1349 1 61 ILE QG 1 75 GLU H 5.300 . 7.300 4.218 3.573 5.423 . 0 0 "[ . 1 .]" 1
1350 1 61 ILE QG 1 75 GLU QB 3.200 . 5.200 2.716 2.052 4.110 . 0 0 "[ . 1 .]" 1
1351 1 62 ILE H 1 75 GLU QB 4.300 . 6.300 3.774 3.598 3.963 . 0 0 "[ . 1 .]" 1
1352 1 62 ILE HG12 1 75 GLU QB 5.000 . 7.000 4.664 4.447 4.859 . 0 0 "[ . 1 .]" 1
1353 1 63 VAL H 1 63 VAL QG 3.000 . 5.000 2.487 1.697 2.723 0.103 5 0 "[ . 1 .]" 1
1354 1 63 VAL QG 1 77 ALA H 4.200 . 6.200 4.070 3.923 4.263 . 0 0 "[ . 1 .]" 1
1355 1 63 VAL QG 1 77 ALA MB 2.900 . 4.900 2.342 2.017 2.671 . 0 0 "[ . 1 .]" 1
1356 1 63 VAL QG 1 78 HIS H 4.500 . 6.500 4.004 3.715 4.392 . 0 0 "[ . 1 .]" 1
1357 1 63 VAL QG 1 78 HIS HA 5.300 . 7.300 3.856 3.523 4.706 . 0 0 "[ . 1 .]" 1
1358 1 63 VAL QG 1 79 SER H 4.900 . 6.900 3.952 3.640 4.953 . 0 0 "[ . 1 .]" 1
1359 1 63 VAL QG 1 82 GLU HB3 4.500 . 6.500 4.404 4.141 4.751 . 0 0 "[ . 1 .]" 1
1360 1 63 VAL QG 1 83 VAL H 4.100 . 6.100 4.067 3.995 4.219 . 0 0 "[ . 1 .]" 1
1361 1 63 VAL QG 1 83 VAL HB 4.300 . 6.300 3.851 3.576 4.217 . 0 0 "[ . 1 .]" 1
1362 1 64 THR H 1 76 VAL QG 3.700 . 5.700 3.532 3.332 3.708 . 0 0 "[ . 1 .]" 1
1363 1 64 THR MG 1 66 ASN QB 4.000 . 6.000 3.349 2.733 4.323 . 0 0 "[ . 1 .]" 1
1364 1 64 THR MG 1 66 ASN QD 3.600 . 7.600 3.584 1.739 5.300 0.061 5 0 "[ . 1 .]" 1
1365 1 65 ARG H 1 65 ARG QD 3.600 . 5.600 3.892 3.187 4.735 . 0 0 "[ . 1 .]" 1
1366 1 65 ARG H 1 66 ASN QD 3.900 . 5.900 4.163 3.329 5.055 . 0 0 "[ . 1 .]" 1
1367 1 66 ASN H 1 66 ASN QB 3.100 . 5.100 3.105 2.726 3.455 . 0 0 "[ . 1 .]" 1
1368 1 66 ASN H 1 66 ASN QD 4.200 . 6.200 3.999 2.073 4.529 . 0 0 "[ . 1 .]" 1
1369 1 66 ASN HA 1 66 ASN QD 4.300 . 6.300 3.261 1.602 4.348 0.198 13 0 "[ . 1 .]" 1
1370 1 66 ASN QB 1 67 GLU H 3.800 . 5.800 3.578 3.420 3.804 . 0 0 "[ . 1 .]" 1
1371 1 66 ASN QB 1 67 GLU QG 5.100 . 7.100 4.548 4.207 4.983 . 0 0 "[ . 1 .]" 1
1372 1 66 ASN QB 1 68 GLY H 4.700 . 6.700 4.915 4.603 5.507 . 0 0 "[ . 1 .]" 1
1373 1 66 ASN QB 1 69 TYR H 3.500 . 5.500 3.536 3.158 4.037 . 0 0 "[ . 1 .]" 1
1374 1 67 GLU H 1 67 GLU QG 2.600 . 4.600 1.813 1.739 1.950 0.061 12 0 "[ . 1 .]" 1
1375 1 67 GLU HA 1 67 GLU QG 3.400 . 5.400 2.949 2.494 3.319 . 0 0 "[ . 1 .]" 1
1376 1 67 GLU QG 1 68 GLY H 5.300 . 7.300 4.454 4.339 4.528 . 0 0 "[ . 1 .]" 1
1377 1 67 GLU QG 1 69 TYR H 5.300 . 7.300 5.198 4.827 5.480 . 0 0 "[ . 1 .]" 1
1378 1 68 GLY H 1 68 GLY QA 2.600 . 4.600 2.299 2.263 2.325 . 0 0 "[ . 1 .]" 1
1379 1 69 TYR H 1 69 TYR QB 2.900 . 4.900 2.247 2.116 2.498 . 0 0 "[ . 1 .]" 1
1380 1 70 HIS H 1 71 VAL QG 4.800 . 6.800 3.715 3.421 4.399 . 0 0 "[ . 1 .]" 1
1381 1 70 HIS QB 1 76 VAL QG 3.900 . 6.900 3.558 2.059 4.038 . 0 0 "[ . 1 .]" 1
1382 1 71 VAL H 1 71 VAL QG 3.300 . 5.300 2.571 1.813 2.820 . 0 0 "[ . 1 .]" 1
1383 1 71 VAL H 1 76 VAL QG 3.300 . 5.300 2.776 2.074 3.556 . 0 0 "[ . 1 .]" 1
1384 1 71 VAL HB 1 74 CYS QB 3.400 . 5.400 2.829 2.426 3.295 . 0 0 "[ . 1 .]" 1
1385 1 71 VAL QG 1 72 GLU H 2.900 . 4.900 2.906 2.731 3.032 . 0 0 "[ . 1 .]" 1
1386 1 71 VAL QG 1 73 GLY H 4.800 . 6.800 4.495 4.256 4.949 . 0 0 "[ . 1 .]" 1
1387 1 71 VAL QG 1 74 CYS H 3.500 . 5.500 3.130 2.692 3.605 . 0 0 "[ . 1 .]" 1
1388 1 71 VAL QG 1 74 CYS QB 3.000 . 5.000 2.654 2.435 3.223 . 0 0 "[ . 1 .]" 1
1389 1 73 GLY QA 1 74 CYS H 3.100 . 5.100 2.846 2.680 2.907 . 0 0 "[ . 1 .]" 1
1390 1 74 CYS H 1 74 CYS QB 3.000 . 5.000 2.651 2.386 2.752 . 0 0 "[ . 1 .]" 1
1391 1 74 CYS QB 1 75 GLU H 3.600 . 5.600 3.023 2.516 3.333 . 0 0 "[ . 1 .]" 1
1392 1 76 VAL H 1 76 VAL QG 2.900 . 4.900 2.187 1.717 2.638 0.083 2 0 "[ . 1 .]" 1
1393 1 76 VAL QG 1 77 ALA H 3.000 . 5.000 2.088 1.868 2.488 . 0 0 "[ . 1 .]" 1
1394 1 76 VAL QG 1 78 HIS H 5.200 . 7.200 4.602 4.432 4.750 . 0 0 "[ . 1 .]" 1
1395 1 78 HIS H 1 78 HIS QB 3.600 . 5.600 2.139 2.081 2.218 . 0 0 "[ . 1 .]" 1
1396 1 78 HIS H 1 82 GLU QG 4.300 . 6.300 2.736 2.036 3.019 . 0 0 "[ . 1 .]" 1
1397 1 78 HIS QB 1 79 SER H 3.400 . 5.400 2.166 1.811 2.361 . 0 0 "[ . 1 .]" 1
1398 1 80 VAL H 1 80 VAL QG 2.900 . 4.900 1.879 1.691 2.161 0.109 3 0 "[ . 1 .]" 1
1399 1 80 VAL HA 1 80 VAL QG 2.900 . 4.900 2.284 2.020 2.460 . 0 0 "[ . 1 .]" 1
1400 1 80 VAL HA 1 83 VAL QG 3.500 . 5.500 2.554 2.243 3.031 . 0 0 "[ . 1 .]" 1
1401 1 80 VAL QG 1 81 GLU H 3.100 . 5.100 2.366 1.965 2.978 . 0 0 "[ . 1 .]" 1
1402 1 80 VAL QG 1 81 GLU QB 4.100 . 6.100 3.920 3.767 4.245 . 0 0 "[ . 1 .]" 1
1403 1 80 VAL QG 1 81 GLU HG2 4.200 . 6.200 3.288 2.462 4.495 . 0 0 "[ . 1 .]" 1
1404 1 80 VAL QG 1 81 GLU HG3 3.900 . 5.900 3.070 2.431 4.429 . 0 0 "[ . 1 .]" 1
1405 1 80 VAL QG 1 82 GLU H 4.400 . 6.400 4.245 4.089 4.341 . 0 0 "[ . 1 .]" 1
1406 1 80 VAL QG 1 83 VAL H 4.600 . 6.600 4.141 3.980 4.357 . 0 0 "[ . 1 .]" 1
1407 1 80 VAL QG 1 83 VAL HB 3.700 . 5.700 3.104 2.809 3.361 . 0 0 "[ . 1 .]" 1
1408 1 80 VAL QG 1 83 VAL QG 4.100 . 7.100 3.368 3.092 3.577 . 0 0 "[ . 1 .]" 1
1409 1 80 VAL QG 1 84 PHE H 4.600 . 6.600 3.423 3.149 3.779 . 0 0 "[ . 1 .]" 1
1410 1 80 VAL QG 1 104 LEU QB 3.700 . 5.700 3.396 3.181 3.601 . 0 0 "[ . 1 .]" 1
1411 1 80 VAL QG 1 105 PHE H 5.300 . 8.300 5.085 4.847 5.407 . 0 0 "[ . 1 .]" 1
1412 1 81 GLU QB 1 82 GLU H 3.600 . 5.600 2.478 2.181 2.812 . 0 0 "[ . 1 .]" 1
1413 1 82 GLU H 1 82 GLU QG 4.200 . 6.200 4.018 3.949 4.051 . 0 0 "[ . 1 .]" 1
1414 1 82 GLU QG 1 83 VAL H 3.500 . 5.500 3.595 3.287 3.972 . 0 0 "[ . 1 .]" 1
1415 1 83 VAL H 1 83 VAL QG 3.100 . 5.100 2.018 1.734 2.275 0.066 14 0 "[ . 1 .]" 1
1416 1 83 VAL HA 1 83 VAL QG 2.900 . 4.900 2.071 2.020 2.143 . 0 0 "[ . 1 .]" 1
1417 1 83 VAL HA 1 86 LEU QB 3.500 . 5.500 2.276 2.098 2.593 . 0 0 "[ . 1 .]" 1
1418 1 83 VAL HA 1 86 LEU QD 3.600 . 5.600 3.404 2.197 3.946 . 0 0 "[ . 1 .]" 1
1419 1 83 VAL QG 1 84 PHE H 3.500 . 5.500 3.304 3.240 3.371 . 0 0 "[ . 1 .]" 1
1420 1 85 GLU H 1 85 GLU QB 2.700 . 4.700 2.659 2.184 2.759 . 0 0 "[ . 1 .]" 1
1421 1 85 GLU H 1 86 LEU QB 4.500 . 6.500 4.266 4.162 4.593 . 0 0 "[ . 1 .]" 1
1422 1 85 GLU H 1 86 LEU QD 5.000 . 7.000 4.512 4.314 4.793 . 0 0 "[ . 1 .]" 1
1423 1 85 GLU QB 1 86 LEU H 3.500 . 5.500 3.224 2.380 3.399 . 0 0 "[ . 1 .]" 1
1424 1 85 GLU QG 1 86 LEU H 3.300 . 5.300 1.932 1.762 2.828 0.038 8 0 "[ . 1 .]" 1
1425 1 85 GLU QG 1 86 LEU QD 3.300 . 5.300 2.515 2.161 3.044 . 0 0 "[ . 1 .]" 1
1426 1 86 LEU H 1 86 LEU QB 3.500 . 5.500 2.112 2.043 2.495 . 0 0 "[ . 1 .]" 1
1427 1 86 LEU H 1 86 LEU QD 3.000 . 5.000 2.658 2.262 3.089 . 0 0 "[ . 1 .]" 1
1428 1 86 LEU QB 1 86 LEU QD 2.200 . 4.200 1.952 1.849 2.070 . 0 0 "[ . 1 .]" 1
1429 1 86 LEU QB 1 87 CYS H 3.300 . 5.300 2.935 2.739 3.020 . 0 0 "[ . 1 .]" 1
1430 1 86 LEU QD 1 87 CYS H 4.300 . 6.300 4.078 3.895 4.284 . 0 0 "[ . 1 .]" 1
1431 1 87 CYS QB 1 88 LYS H 3.200 . 5.200 2.571 2.430 2.782 . 0 0 "[ . 1 .]" 1
1432 1 87 CYS QB 1 88 LYS QB 4.400 . 6.400 3.875 3.746 4.022 . 0 0 "[ . 1 .]" 1
1433 1 87 CYS QB 1 88 LYS QD 4.900 . 6.900 4.821 4.555 5.282 . 0 0 "[ . 1 .]" 1
1434 1 87 CYS QB 1 93 ILE MG 4.100 . 6.100 3.916 3.603 4.292 . 0 0 "[ . 1 .]" 1
1435 1 87 CYS QB 1 93 ILE MD 3.600 . 5.600 2.729 2.095 3.986 . 0 0 "[ . 1 .]" 1
1436 1 89 ASN QB 1 90 GLU H 3.400 . 5.400 2.974 2.837 3.258 . 0 0 "[ . 1 .]" 1
1437 1 90 GLU H 1 90 GLU QG 3.800 . 5.800 3.599 3.354 4.083 . 0 0 "[ . 1 .]" 1
1438 1 91 GLU H 1 91 GLU QB 3.500 . 5.500 2.659 2.465 2.840 . 0 0 "[ . 1 .]" 1
1439 1 91 GLU QB 1 92 GLU H 3.500 . 5.500 2.620 1.742 3.615 0.058 10 0 "[ . 1 .]" 1
1440 1 91 GLU QG 1 92 GLU H 3.800 . 5.800 2.103 1.787 3.727 0.013 5 0 "[ . 1 .]" 1
1441 1 92 GLU H 1 92 GLU QG 4.500 . 6.500 2.434 1.752 3.475 0.048 14 0 "[ . 1 .]" 1
1442 1 92 GLU QG 1 93 ILE H 4.800 . 6.800 4.204 3.891 4.393 . 0 0 "[ . 1 .]" 1
1443 1 95 ILE MG 1 105 PHE QB 4.500 . 6.500 3.688 3.282 4.641 . 0 0 "[ . 1 .]" 1
1444 1 95 ILE HG13 1 105 PHE QB 4.800 . 6.800 4.895 4.329 5.711 . 0 0 "[ . 1 .]" 1
1445 1 95 ILE MD 1 105 PHE QB 5.300 . 7.300 4.910 3.899 5.383 . 0 0 "[ . 1 .]" 1
1446 1 97 GLY QA 1 101 ILE MG 4.000 . 6.000 2.167 1.964 2.716 . 0 0 "[ . 1 .]" 1
1447 1 99 ALA MB 1 127 PHE QB 4.700 . 6.700 4.467 3.762 4.863 . 0 0 "[ . 1 .]" 1
1448 1 100 GLN H 1 101 ILE QG 4.900 . 6.900 4.110 3.568 5.167 . 0 0 "[ . 1 .]" 1
1449 1 101 ILE H 1 101 ILE QG 4.000 . 6.000 2.003 1.714 2.862 0.086 9 0 "[ . 1 .]" 1
1450 1 101 ILE QG 1 101 ILE MG 3.100 . 5.100 2.385 2.185 2.561 . 0 0 "[ . 1 .]" 1
1451 1 103 ASP H 1 104 LEU QD 5.400 . 7.400 4.349 3.663 5.402 . 0 0 "[ . 1 .]" 1
1452 1 104 LEU H 1 104 LEU QB 3.300 . 5.300 2.275 2.101 2.514 . 0 0 "[ . 1 .]" 1
1453 1 104 LEU H 1 104 LEU QD 3.500 . 5.500 2.625 1.881 3.493 . 0 0 "[ . 1 .]" 1
1454 1 104 LEU HA 1 104 LEU QD 3.900 . 5.900 2.341 1.878 3.392 . 0 0 "[ . 1 .]" 1
1455 1 104 LEU QB 1 104 LEU HG 2.600 . 4.600 2.381 2.188 2.520 . 0 0 "[ . 1 .]" 1
1456 1 104 LEU QB 1 104 LEU QD 2.700 . 4.700 1.913 1.842 2.027 . 0 0 "[ . 1 .]" 1
1457 1 104 LEU QB 1 105 PHE H 3.900 . 5.900 3.077 2.442 3.683 . 0 0 "[ . 1 .]" 1
1458 1 105 PHE H 1 105 PHE QB 3.400 . 5.400 2.317 2.127 3.163 . 0 0 "[ . 1 .]" 1
1459 1 106 LEU H 1 106 LEU QD 4.400 . 6.400 3.125 2.438 3.718 . 0 0 "[ . 1 .]" 1
1460 1 106 LEU H 1 107 PRO QD 3.400 . 5.400 2.095 1.897 2.357 . 0 0 "[ . 1 .]" 1
1461 1 106 LEU H 1 109 VAL QG 4.700 . 6.700 4.163 3.622 4.477 . 0 0 "[ . 1 .]" 1
1462 1 106 LEU QB 1 106 LEU QD 2.700 . 4.700 1.892 1.842 1.950 . 0 0 "[ . 1 .]" 1
1463 1 106 LEU QB 1 107 PRO QD 3.300 . 5.300 2.035 1.894 2.144 . 0 0 "[ . 1 .]" 1
1464 1 106 LEU HG 1 107 PRO QD 4.100 . 6.100 4.038 2.376 4.370 . 0 0 "[ . 1 .]" 1
1465 1 106 LEU QD 1 107 PRO QG 5.100 . 7.100 4.392 3.049 4.805 . 0 0 "[ . 1 .]" 1
1466 1 106 LEU QD 1 107 PRO QD 4.300 . 6.300 3.247 2.391 3.626 . 0 0 "[ . 1 .]" 1
1467 1 107 PRO QD 1 108 TYR H 4.100 . 6.100 2.766 2.347 3.414 . 0 0 "[ . 1 .]" 1
1468 1 107 PRO QD 1 109 VAL QG 5.200 . 8.200 4.327 4.010 4.664 . 0 0 "[ . 1 .]" 1
1469 1 108 TYR H 1 108 TYR QB 3.300 . 5.300 2.457 2.286 2.646 . 0 0 "[ . 1 .]" 1
1470 1 108 TYR H 1 109 VAL QG 3.500 . 5.500 3.180 2.762 3.591 . 0 0 "[ . 1 .]" 1
1471 1 108 TYR QB 1 109 VAL H 3.500 . 5.500 2.964 2.359 3.453 . 0 0 "[ . 1 .]" 1
1472 1 109 VAL H 1 109 VAL QG 2.700 . 4.700 2.157 1.683 2.681 0.117 14 0 "[ . 1 .]" 1
1473 1 109 VAL QG 1 110 ASP H 3.200 . 5.200 2.031 1.599 2.775 0.201 6 0 "[ . 1 .]" 1
1474 1 109 VAL QG 1 111 LYS H 3.200 . 5.200 2.366 1.864 2.906 . 0 0 "[ . 1 .]" 1
1475 1 109 VAL QG 1 111 LYS QB 4.200 . 7.200 3.711 3.294 4.251 . 0 0 "[ . 1 .]" 1
1476 1 109 VAL QG 1 112 LEU HB2 4.300 . 6.300 3.168 2.382 4.098 . 0 0 "[ . 1 .]" 1
1477 1 109 VAL QG 1 112 LEU QD 3.000 . 6.000 2.443 1.868 2.968 . 0 0 "[ . 1 .]" 1
1478 1 110 ASP H 1 111 LYS QB 4.600 . 6.600 4.272 3.937 4.803 . 0 0 "[ . 1 .]" 1
1479 1 111 LYS H 1 111 LYS QB 3.600 . 5.600 2.412 2.199 3.029 . 0 0 "[ . 1 .]" 1
1480 1 111 LYS QB 1 112 LEU H 3.700 . 5.700 3.250 2.968 3.501 . 0 0 "[ . 1 .]" 1
1481 1 112 LEU H 1 112 LEU QD 3.900 . 5.900 3.807 3.432 3.953 . 0 0 "[ . 1 .]" 1
1482 1 112 LEU H 1 158 TYR QB 4.100 . 6.100 3.481 3.033 3.864 . 0 0 "[ . 1 .]" 1
1483 1 112 LEU HB2 1 158 TYR QB 4.100 . 6.100 3.310 2.038 4.094 . 0 0 "[ . 1 .]" 1
1484 1 112 LEU HB3 1 158 TYR QB 4.300 . 6.300 2.178 1.923 2.474 . 0 0 "[ . 1 .]" 1
1485 1 112 LEU QD 1 113 TYR H 3.800 . 5.800 2.538 1.777 3.518 0.023 7 0 "[ . 1 .]" 1
1486 1 112 LEU QD 1 114 ILE MG 5.000 . 7.000 3.916 3.338 4.267 . 0 0 "[ . 1 .]" 1
1487 1 112 LEU QD 1 114 ILE HG12 4.300 . 6.300 2.822 2.365 3.330 . 0 0 "[ . 1 .]" 1
1488 1 112 LEU QD 1 114 ILE HG13 4.900 . 6.900 2.607 1.942 3.236 . 0 0 "[ . 1 .]" 1
1489 1 112 LEU QD 1 114 ILE MD 2.800 . 4.800 2.022 1.862 2.237 . 0 0 "[ . 1 .]" 1
1490 1 112 LEU QD 1 135 TRP HE1 4.800 . 6.800 3.960 3.064 4.941 . 0 0 "[ . 1 .]" 1
1491 1 112 LEU QD 1 135 TRP HZ3 4.400 . 6.400 4.050 3.192 4.818 . 0 0 "[ . 1 .]" 1
1492 1 112 LEU QD 1 158 TYR H 5.200 . 7.200 4.428 3.937 4.738 . 0 0 "[ . 1 .]" 1
1493 1 112 LEU QD 1 158 TYR HA 5.400 . 7.400 5.247 4.974 5.506 . 0 0 "[ . 1 .]" 1
1494 1 112 LEU QD 1 158 TYR QB 3.600 . 5.600 2.780 2.436 3.147 . 0 0 "[ . 1 .]" 1
1495 1 112 LEU QD 1 158 TYR QD 3.900 . 6.900 3.376 2.323 4.200 . 0 0 "[ . 1 .]" 1
1496 1 113 TYR QB 1 114 ILE H 4.400 . 6.400 3.342 2.895 3.717 . 0 0 "[ . 1 .]" 1
1497 1 114 ILE H 1 156 HIS QB 4.700 . 6.700 3.361 2.932 4.836 . 0 0 "[ . 1 .]" 1
1498 1 114 ILE HB 1 156 HIS QB 4.500 . 6.500 3.097 2.392 4.494 . 0 0 "[ . 1 .]" 1
1499 1 114 ILE MG 1 156 HIS QB 4.800 . 6.800 4.212 3.535 4.889 . 0 0 "[ . 1 .]" 1
1500 1 114 ILE MD 1 158 TYR QB 4.000 . 6.000 2.632 1.979 3.170 . 0 0 "[ . 1 .]" 1
1501 1 115 THR MG 1 117 ILE QG 3.600 . 5.600 2.997 2.324 3.858 . 0 0 "[ . 1 .]" 1
1502 1 116 LYS QB 1 116 LYS QD 3.000 . 5.000 2.178 2.085 2.349 . 0 0 "[ . 1 .]" 1
1503 1 116 LYS QB 1 117 ILE H 4.500 . 6.500 3.554 2.913 3.852 . 0 0 "[ . 1 .]" 1
1504 1 117 ILE H 1 117 ILE QG 4.000 . 6.000 2.742 2.153 3.325 . 0 0 "[ . 1 .]" 1
1505 1 117 ILE H 1 153 TYR QB 5.100 . 7.100 4.419 4.123 4.604 . 0 0 "[ . 1 .]" 1
1506 1 117 ILE MG 1 119 HIS QB 3.500 . 5.500 2.427 2.129 3.056 . 0 0 "[ . 1 .]" 1
1507 1 117 ILE QG 1 118 HIS H 4.600 . 6.600 4.095 3.643 4.689 . 0 0 "[ . 1 .]" 1
1508 1 117 ILE QG 1 153 TYR QB 4.100 . 6.100 2.253 1.984 4.085 . 0 0 "[ . 1 .]" 1
1509 1 117 ILE QG 1 154 TYR H 4.500 . 6.500 4.136 3.798 5.310 . 0 0 "[ . 1 .]" 1
1510 1 117 ILE MD 1 153 TYR QB 3.600 . 5.600 3.419 2.285 3.689 . 0 0 "[ . 1 .]" 1
1511 1 118 HIS H 1 153 TYR QB 4.100 . 6.100 3.354 3.066 3.967 . 0 0 "[ . 1 .]" 1
1512 1 118 HIS QB 1 119 HIS H 4.300 . 6.300 3.914 3.603 4.052 . 0 0 "[ . 1 .]" 1
1513 1 119 HIS H 1 119 HIS QB 3.400 . 5.400 2.832 2.629 2.968 . 0 0 "[ . 1 .]" 1
1514 1 119 HIS QB 1 120 ALA H 4.200 . 6.200 3.759 3.383 3.902 . 0 0 "[ . 1 .]" 1
1515 1 120 ALA MB 1 121 PHE QB 4.900 . 6.900 4.467 4.317 4.709 . 0 0 "[ . 1 .]" 1
1516 1 121 PHE H 1 121 PHE QB 3.400 . 5.400 2.684 2.394 2.819 . 0 0 "[ . 1 .]" 1
1517 1 121 PHE QB 1 122 GLU H 3.600 . 5.600 3.433 2.679 3.849 . 0 0 "[ . 1 .]" 1
1518 1 122 GLU H 1 122 GLU QG 3.200 . 5.200 2.488 1.758 3.077 0.042 14 0 "[ . 1 .]" 1
1519 1 122 GLU QG 1 123 GLY H 4.500 . 6.500 4.117 3.620 4.576 . 0 0 "[ . 1 .]" 1
1520 1 124 ASP QB 1 125 THR H 3.500 . 5.500 2.742 1.869 3.659 . 0 0 "[ . 1 .]" 1
1521 1 126 PHE H 1 126 PHE QB 3.700 . 5.700 2.863 2.647 3.008 . 0 0 "[ . 1 .]" 1
1522 1 126 PHE QB 1 127 PHE H 3.700 . 5.700 2.898 2.416 3.199 . 0 0 "[ . 1 .]" 1
1523 1 127 PHE H 1 127 PHE QB 3.600 . 5.600 2.663 2.226 2.934 . 0 0 "[ . 1 .]" 1
1524 1 128 PRO QB 1 129 GLU H 3.000 . 5.000 2.122 1.812 2.419 . 0 0 "[ . 1 .]" 1
1525 1 128 PRO QG 1 129 GLU H 4.200 . 6.200 3.827 3.494 4.094 . 0 0 "[ . 1 .]" 1
1526 1 129 GLU H 1 129 GLU QB 3.100 . 5.100 2.889 2.427 3.236 . 0 0 "[ . 1 .]" 1
1527 1 129 GLU H 1 129 GLU QG 2.800 . 4.800 1.941 1.683 2.287 0.117 13 0 "[ . 1 .]" 1
1528 1 129 GLU HA 1 129 GLU QG 3.700 . 5.700 3.209 2.363 3.313 . 0 0 "[ . 1 .]" 1
1529 1 129 GLU QG 1 130 MET H 5.000 . 7.000 4.113 3.196 4.491 . 0 0 "[ . 1 .]" 1
1530 1 130 MET H 1 130 MET QB 3.000 . 5.000 2.793 2.284 3.329 . 0 0 "[ . 1 .]" 1
1531 1 130 MET H 1 131 ASP QB 5.300 . 7.300 4.715 3.470 5.671 . 0 0 "[ . 1 .]" 1
1532 1 130 MET QB 1 131 ASP H 4.300 . 6.300 2.847 1.818 4.055 . 0 0 "[ . 1 .]" 1
1533 1 131 ASP H 1 131 ASP QB 3.500 . 5.500 2.738 2.079 3.267 . 0 0 "[ . 1 .]" 1
1534 1 131 ASP QB 1 132 MET H 4.200 . 6.200 3.363 2.108 4.023 . 0 0 "[ . 1 .]" 1
1535 1 132 MET H 1 132 MET QG 3.400 . 5.400 2.610 2.008 3.405 . 0 0 "[ . 1 .]" 1
1536 1 132 MET QB 1 133 THR H 4.500 . 6.500 3.893 3.491 4.051 . 0 0 "[ . 1 .]" 1
1537 1 134 ASN H 1 134 ASN QB 3.600 . 5.600 2.658 2.159 3.301 . 0 0 "[ . 1 .]" 1
1538 1 134 ASN QB 1 135 TRP H 4.200 . 6.200 3.237 2.455 3.912 . 0 0 "[ . 1 .]" 1
1539 1 135 TRP HE1 1 160 LYS QD 5.300 . 7.300 5.141 3.693 5.990 . 0 0 "[ . 1 .]" 1
1540 1 135 TRP HZ3 1 160 LYS QD 5.300 . 7.300 4.907 4.502 5.416 . 0 0 "[ . 1 .]" 1
1541 1 135 TRP HZ2 1 160 LYS QG 5.000 . 7.000 3.082 2.670 3.688 . 0 0 "[ . 1 .]" 1
1542 1 136 LYS H 1 161 GLN QE 4.100 . 6.100 3.684 2.371 4.480 . 0 0 "[ . 1 .]" 1
1543 1 136 LYS QB 1 137 GLU H 4.000 . 6.000 3.519 3.146 3.697 . 0 0 "[ . 1 .]" 1
1544 1 136 LYS QB 1 138 VAL H 5.300 . 7.300 5.336 4.341 5.769 . 0 0 "[ . 1 .]" 1
1545 1 136 LYS QB 1 138 VAL QG 4.600 . 6.600 3.656 3.353 4.249 . 0 0 "[ . 1 .]" 1
1546 1 136 LYS QB 1 161 GLN QE 3.900 . 5.900 2.974 2.179 3.974 . 0 0 "[ . 1 .]" 1
1547 1 136 LYS QE 1 138 VAL QG 3.500 . 6.500 3.343 2.709 3.852 . 0 0 "[ . 1 .]" 1
1548 1 137 GLU H 1 137 GLU QB 3.400 . 5.400 2.476 2.290 2.855 . 0 0 "[ . 1 .]" 1
1549 1 137 GLU QB 1 158 TYR HA 4.600 . 6.600 4.011 3.554 4.735 . 0 0 "[ . 1 .]" 1
1550 1 138 VAL H 1 138 VAL QG 2.900 . 4.900 2.175 1.855 2.948 . 0 0 "[ . 1 .]" 1
1551 1 138 VAL H 1 157 VAL QG 3.900 . 5.900 3.509 3.213 3.938 . 0 0 "[ . 1 .]" 1
1552 1 138 VAL QG 1 139 PHE H 3.000 . 5.000 2.285 1.668 2.734 0.132 14 0 "[ . 1 .]" 1
1553 1 138 VAL QG 1 139 PHE HB2 3.400 . 5.400 2.666 2.156 3.435 . 0 0 "[ . 1 .]" 1
1554 1 138 VAL QG 1 157 VAL HB 3.000 . 5.000 2.563 2.199 2.897 . 0 0 "[ . 1 .]" 1
1555 1 138 VAL QG 1 157 VAL QG 2.700 . 5.700 2.082 1.829 2.328 . 0 0 "[ . 1 .]" 1
1556 1 138 VAL QG 1 158 TYR HA 4.400 . 6.400 3.544 2.947 4.468 . 0 0 "[ . 1 .]" 1
1557 1 138 VAL QG 1 159 GLU H 3.800 . 5.800 3.596 2.979 4.294 . 0 0 "[ . 1 .]" 1
1558 1 138 VAL QG 1 159 GLU QG 3.300 . 5.300 2.170 1.859 2.965 . 0 0 "[ . 1 .]" 1
1559 1 139 PHE H 1 140 VAL QG 5.100 . 7.100 4.287 3.469 4.747 . 0 0 "[ . 1 .]" 1
1560 1 139 PHE H 1 157 VAL QG 3.800 . 5.800 3.193 2.875 3.485 . 0 0 "[ . 1 .]" 1
1561 1 139 PHE HB2 1 157 VAL QG 3.300 . 5.300 3.300 3.077 3.584 . 0 0 "[ . 1 .]" 1
1562 1 139 PHE HB3 1 157 VAL QG 3.100 . 5.100 2.237 2.047 2.414 . 0 0 "[ . 1 .]" 1
1563 1 139 PHE QE 1 140 VAL QG 5.400 . 7.400 4.570 4.282 5.100 . 0 0 "[ . 1 .]" 1
1564 1 140 VAL H 1 140 VAL QG 3.000 . 5.000 2.332 2.035 2.922 . 0 0 "[ . 1 .]" 1
1565 1 140 VAL QG 1 141 GLU H 3.000 . 5.000 2.516 2.202 2.889 . 0 0 "[ . 1 .]" 1
1566 1 140 VAL QG 1 142 LYS H 5.000 . 7.000 4.413 4.036 4.604 . 0 0 "[ . 1 .]" 1
1567 1 140 VAL QG 1 154 TYR HB3 4.000 . 6.000 3.609 3.262 3.807 . 0 0 "[ . 1 .]" 1
1568 1 140 VAL QG 1 154 TYR QD 5.100 . 8.100 4.550 3.820 5.047 . 0 0 "[ . 1 .]" 1
1569 1 140 VAL QG 1 155 TYR H 4.400 . 6.400 3.870 3.603 4.104 . 0 0 "[ . 1 .]" 1
1570 1 140 VAL QG 1 156 HIS H 5.200 . 7.200 4.521 4.260 4.810 . 0 0 "[ . 1 .]" 1
1571 1 141 GLU H 1 155 TYR QB 3.800 . 5.800 2.845 2.231 3.408 . 0 0 "[ . 1 .]" 1
1572 1 141 GLU QG 1 155 TYR QB 4.300 . 6.300 3.579 3.177 3.810 . 0 0 "[ . 1 .]" 1
1573 1 142 LYS HA 1 143 GLY QA 4.500 . 6.500 3.917 3.893 3.945 . 0 0 "[ . 1 .]" 1
1574 1 142 LYS QB 1 143 GLY H 3.300 . 5.300 2.571 2.221 3.305 . 0 0 "[ . 1 .]" 1
1575 1 143 GLY QA 1 144 LEU H 3.000 . 5.000 2.235 2.150 2.305 . 0 0 "[ . 1 .]" 1
1576 1 143 GLY QA 1 144 LEU QB 5.000 . 7.000 3.575 3.509 3.647 . 0 0 "[ . 1 .]" 1
1577 1 143 GLY QA 1 153 TYR H 5.000 . 7.000 3.259 2.671 3.790 . 0 0 "[ . 1 .]" 1
1578 1 143 GLY QA 1 155 TYR H 5.300 . 7.300 4.870 4.503 5.288 . 0 0 "[ . 1 .]" 1
1579 1 144 LEU QB 1 144 LEU QD 2.600 . 4.600 1.872 1.844 1.915 . 0 0 "[ . 1 .]" 1
1580 1 144 LEU QB 1 145 THR H 3.300 . 5.300 2.961 1.961 3.544 . 0 0 "[ . 1 .]" 1
1581 1 144 LEU QD 1 145 THR H 2.800 . 4.800 2.716 2.133 3.334 . 0 0 "[ . 1 .]" 1
1582 1 146 ASP H 1 146 ASP QB 3.300 . 5.300 2.767 2.377 2.979 . 0 0 "[ . 1 .]" 1
1583 1 146 ASP QB 1 149 ASN H 3.700 . 5.700 2.418 1.955 3.116 . 0 0 "[ . 1 .]" 1
1584 1 148 LYS QB 1 149 ASN QD 3.700 . 5.700 2.737 1.750 3.782 0.050 7 0 "[ . 1 .]" 1
1585 1 149 ASN H 1 149 ASN QD 3.900 . 5.900 3.222 2.315 4.320 . 0 0 "[ . 1 .]" 1
1586 1 153 TYR QB 1 154 TYR H 3.700 . 5.700 2.284 1.938 2.685 . 0 0 "[ . 1 .]" 1
1587 1 155 TYR H 1 155 TYR QB 3.200 . 5.200 2.359 2.210 2.471 . 0 0 "[ . 1 .]" 1
1588 1 156 HIS H 1 157 VAL QG 4.700 . 6.700 4.207 3.818 4.407 . 0 0 "[ . 1 .]" 1
1589 1 156 HIS QB 1 157 VAL H 3.600 . 5.600 2.967 2.677 3.347 . 0 0 "[ . 1 .]" 1
1590 1 156 HIS QB 1 158 TYR QD 5.000 . 7.000 3.254 2.488 4.681 . 0 0 "[ . 1 .]" 1
1591 1 156 HIS QB 1 158 TYR QE 5.100 . 7.100 2.599 1.996 4.502 . 0 0 "[ . 1 .]" 1
1592 1 157 VAL H 1 157 VAL QG 3.300 . 5.300 2.568 2.364 2.807 . 0 0 "[ . 1 .]" 1
1593 1 157 VAL QG 1 158 TYR H 3.200 . 5.200 2.797 2.215 2.993 . 0 0 "[ . 1 .]" 1
1594 1 157 VAL QG 1 158 TYR HA 5.100 . 7.100 3.773 3.559 4.018 . 0 0 "[ . 1 .]" 1
1595 1 157 VAL QG 1 159 GLU QG 3.800 . 7.400 3.548 2.548 4.372 . 0 0 "[ . 1 .]" 1
1596 1 158 TYR HA 1 159 GLU QB 5.300 . 7.300 4.210 3.945 4.548 . 0 0 "[ . 1 .]" 1
1597 1 159 GLU H 1 159 GLU QB 3.400 . 5.400 2.899 2.448 3.239 . 0 0 "[ . 1 .]" 1
1598 1 159 GLU QB 1 160 LYS H 3.900 . 5.900 2.749 2.591 3.070 . 0 0 "[ . 1 .]" 1
1599 1 160 LYS H 1 160 LYS QG 3.500 . 5.500 3.458 2.995 3.766 . 0 0 "[ . 1 .]" 1
1600 1 160 LYS H 1 160 LYS QD 5.300 . 7.300 4.530 4.322 4.811 . 0 0 "[ . 1 .]" 1
1601 1 160 LYS HA 1 160 LYS QG 3.300 . 5.300 2.229 2.107 2.439 . 0 0 "[ . 1 .]" 1
1602 1 160 LYS HA 1 160 LYS QD 4.000 . 6.000 2.580 2.175 3.980 . 0 0 "[ . 1 .]" 1
1603 1 160 LYS HA 1 161 GLN QB 5.200 . 7.200 4.651 4.193 5.381 . 0 0 "[ . 1 .]" 1
1604 1 160 LYS HA 1 161 GLN QE 4.300 . 6.300 2.385 1.969 3.318 . 0 0 "[ . 1 .]" 1
1605 1 160 LYS HB2 1 160 LYS QG 2.600 . 4.600 2.193 2.170 2.266 . 0 0 "[ . 1 .]" 1
1606 1 160 LYS HB2 1 161 GLN QE 5.300 . 7.300 4.794 4.412 5.876 . 0 0 "[ . 1 .]" 1
1607 1 160 LYS HB3 1 160 LYS QD 3.000 . 5.000 2.270 2.133 2.513 . 0 0 "[ . 1 .]" 1
1608 1 160 LYS HB3 1 161 GLN QE 5.300 . 7.300 4.144 3.450 5.472 . 0 0 "[ . 1 .]" 1
1609 1 160 LYS QG 1 161 GLN H 3.800 . 5.800 3.636 2.246 4.044 . 0 0 "[ . 1 .]" 1
1610 1 160 LYS QD 1 161 GLN H 4.400 . 6.400 2.397 1.774 4.178 0.026 7 0 "[ . 1 .]" 1
1611 1 160 LYS QD 1 161 GLN QE 3.800 . 5.800 2.991 1.742 4.266 0.158 11 0 "[ . 1 .]" 1
1612 1 161 GLN H 1 161 GLN QB 3.300 . 5.300 2.791 2.532 3.229 . 0 0 "[ . 1 .]" 1
1613 1 161 GLN H 1 161 GLN QE 4.200 . 6.200 2.307 1.199 3.873 0.601 5 1 "[ + 1 .]" 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 3
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 1.204
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0268
_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 29 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 51 ILE 0.080 0.044 5 0 "[ . 1 .]"
3 1 N22 0.080 0.044 5 0 "[ . 1 .]"
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 51 ILE HA 3 1 N22 C16 4.000 . 6.000 5.793 5.136 6.044 0.044 5 0 "[ . 1 .]" 2
2 1 29 LEU MD1 3 1 N22 C7 4.000 . 6.000 3.945 2.380 4.810 . 0 0 "[ . 1 .]" 2
3 1 29 LEU MD2 3 1 N22 C7 4.000 . 6.000 4.168 2.416 5.065 . 0 0 "[ . 1 .]" 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 93
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 568.940
_Distance_constraint_stats_list.Viol_max 2.918
_Distance_constraint_stats_list.Viol_rms 0.1765
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0272
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_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 2 ILE 0.193 0.075 3 0 "[ . 1 .]"
1 3 VAL 0.261 0.059 5 0 "[ . 1 .]"
1 4 SER 0.048 0.018 10 0 "[ . 1 .]"
1 5 PHE 0.056 0.027 13 0 "[ . 1 .]"
1 6 MET 0.107 0.068 9 0 "[ . 1 .]"
1 7 VAL 0.631 0.155 9 0 "[ . 1 .]"
1 8 ALA 0.067 0.025 14 0 "[ . 1 .]"
1 9 MET 0.015 0.015 13 0 "[ . 1 .]"
1 10 ASP 1.034 0.126 8 0 "[ . 1 .]"
1 13 ARG 1.008 0.097 3 0 "[ . 1 .]"
1 14 VAL 0.685 0.126 8 0 "[ . 1 .]"
1 15 ILE 2.673 0.248 9 0 "[ . 1 .]"
1 16 GLY 0.431 0.145 10 0 "[ . 1 .]"
1 17 LYS 0.121 0.069 14 0 "[ . 1 .]"
1 18 ASP 0.758 0.130 14 0 "[ . 1 .]"
1 20 ASN 0.970 0.130 14 0 "[ . 1 .]"
1 25 LEU 1.358 0.137 5 0 "[ . 1 .]"
1 27 SER 0.777 0.153 10 0 "[ . 1 .]"
1 28 GLU 1.068 0.360 12 0 "[ . 1 .]"
1 29 LEU 1.312 0.137 5 0 "[ . 1 .]"
1 30 GLN 0.777 0.153 10 0 "[ . 1 .]"
1 31 TYR 0.187 0.039 11 0 "[ . 1 .]"
1 32 VAL 0.082 0.041 2 0 "[ . 1 .]"
1 33 LYS 0.537 0.112 10 0 "[ . 1 .]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 35 THR 0.187 0.039 11 0 "[ . 1 .]"
1 36 THR 0.019 0.019 1 0 "[ . 1 .]"
1 37 MET 0.014 0.014 8 0 "[ . 1 .]"
1 38 GLY 0.078 0.041 12 0 "[ . 1 .]"
1 40 PRO 0.646 0.079 2 0 "[ . 1 .]"
1 41 LEU 0.354 0.090 11 0 "[ . 1 .]"
1 42 ILE 0.578 0.078 6 0 "[ . 1 .]"
1 43 MET 0.189 0.090 6 0 "[ . 1 .]"
1 44 GLY 0.422 0.071 10 0 "[ . 1 .]"
1 45 ARG 22.035 2.918 4 13 "[ *-+.**********]"
1 46 LYS 0.202 0.091 5 0 "[ . 1 .]"
1 47 ASN 0.192 0.046 13 0 "[ . 1 .]"
1 48 TYR 0.143 0.042 13 0 "[ . 1 .]"
1 49 GLU 0.072 0.043 6 0 "[ . 1 .]"
1 50 ALA 0.202 0.091 5 0 "[ . 1 .]"
1 51 ILE 0.050 0.026 9 0 "[ . 1 .]"
1 52 GLY 0.139 0.042 13 0 "[ . 1 .]"
1 55 LEU 0.333 0.097 3 0 "[ . 1 .]"
1 57 GLY 0.078 0.041 12 0 "[ . 1 .]"
1 58 ARG 0.333 0.097 3 0 "[ . 1 .]"
1 59 ARG 0.312 0.090 11 0 "[ . 1 .]"
1 60 ASN 0.092 0.036 6 0 "[ . 1 .]"
1 61 ILE 0.071 0.020 4 0 "[ . 1 .]"
1 62 ILE 0.062 0.028 3 0 "[ . 1 .]"
1 63 VAL 0.159 0.090 6 0 "[ . 1 .]"
1 64 THR 0.141 0.052 9 0 "[ . 1 .]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 66 ASN 0.077 0.018 15 0 "[ . 1 .]"
1 69 TYR 0.077 0.018 15 0 "[ . 1 .]"
1 71 VAL 0.017 0.008 3 0 "[ . 1 .]"
1 74 CYS 0.017 0.008 3 0 "[ . 1 .]"
1 75 GLU 0.121 0.036 6 0 "[ . 1 .]"
1 77 ALA 0.032 0.013 9 0 "[ . 1 .]"
1 79 SER 0.187 0.052 8 0 "[ . 1 .]"
1 80 VAL 0.028 0.028 1 0 "[ . 1 .]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 83 VAL 0.238 0.052 8 0 "[ . 1 .]"
1 84 PHE 0.028 0.028 1 0 "[ . 1 .]"
1 85 GLU 0.010 0.009 11 0 "[ . 1 .]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 87 CYS 0.051 0.016 4 0 "[ . 1 .]"
1 88 LYS 0.010 0.009 11 0 "[ . 1 .]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 91 GLU 0.004 0.004 1 0 "[ . 1 .]"
1 93 ILE 0.206 0.075 3 0 "[ . 1 .]"
1 94 PHE 0.744 0.079 2 0 "[ . 1 .]"
1 95 ILE 0.137 0.068 9 0 "[ . 1 .]"
1 96 PHE 0.229 0.059 7 0 "[ . 1 .]"
1 97 GLY 0.669 0.078 6 0 "[ . 1 .]"
1 98 GLY 0.196 0.064 12 0 "[ . 1 .]"
1 99 ALA 0.042 0.020 13 0 "[ . 1 .]"
1 100 GLN 0.311 0.116 7 0 "[ . 1 .]"
1 101 ILE 0.212 0.143 9 0 "[ . 1 .]"
1 102 TYR 0.102 0.064 12 0 "[ . 1 .]"
1 103 ASP 0.113 0.032 13 0 "[ . 1 .]"
1 104 LEU 0.067 0.049 13 0 "[ . 1 .]"
1 105 PHE 0.377 0.143 9 0 "[ . 1 .]"
1 106 LEU 0.071 0.032 13 0 "[ . 1 .]"
1 108 TYR 0.090 0.037 4 0 "[ . 1 .]"
1 109 VAL 0.141 0.097 9 0 "[ . 1 .]"
1 110 ASP 0.123 0.039 13 0 "[ . 1 .]"
1 111 LYS 0.193 0.059 5 0 "[ . 1 .]"
1 112 LEU 0.207 0.071 13 0 "[ . 1 .]"
1 113 TYR 0.084 0.034 6 0 "[ . 1 .]"
1 114 ILE 0.013 0.013 15 0 "[ . 1 .]"
1 115 THR 0.579 0.155 9 0 "[ . 1 .]"
1 116 LYS 0.078 0.034 4 0 "[ . 1 .]"
1 117 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 118 HIS 0.172 0.036 3 0 "[ . 1 .]"
1 125 THR 3.104 0.248 9 0 "[ . 1 .]"
1 127 PHE 0.659 0.097 3 0 "[ . 1 .]"
1 136 LYS 0.008 0.008 10 0 "[ . 1 .]"
1 138 VAL 0.019 0.016 7 0 "[ . 1 .]"
1 139 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 143 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 146 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 149 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 151 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 152 THR 0.172 0.036 3 0 "[ . 1 .]"
1 153 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 154 TYR 0.078 0.034 4 0 "[ . 1 .]"
1 156 HIS 0.013 0.013 15 0 "[ . 1 .]"
1 157 VAL 0.019 0.016 7 0 "[ . 1 .]"
1 158 TYR 0.207 0.071 13 0 "[ . 1 .]"
1 159 GLU 0.008 0.008 10 0 "[ . 1 .]"
1 160 LYS 0.015 0.015 10 0 "[ . 1 .]"
2 1 NAP 22.811 2.918 4 13 "[ *-+.**********]"
3 1 N22 0.435 0.360 12 0 "[ . 1 .]"
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 2 ILE H 1 91 GLU O 2.000 . 2.300 2.150 1.842 2.304 0.004 1 0 "[ . 1 .]" 3
2 1 4 SER H 1 93 ILE O 2.000 . 2.300 2.138 1.933 2.318 0.018 10 0 "[ . 1 .]" 3
3 1 5 PHE H 1 111 LYS O 2.000 . 2.300 2.162 1.792 2.327 0.027 13 0 "[ . 1 .]" 3
4 1 6 MET H 1 95 ILE O 2.000 . 2.300 2.220 1.930 2.368 0.068 9 0 "[ . 1 .]" 3
5 1 7 VAL H 1 113 TYR O 2.000 . 2.300 2.192 1.828 2.334 0.034 6 0 "[ . 1 .]" 3
6 1 9 MET H 1 115 THR O 2.000 . 2.300 1.998 1.825 2.315 0.015 13 0 "[ . 1 .]" 3
7 1 10 ASP H 1 14 VAL O 2.000 . 2.300 2.334 2.207 2.426 0.126 8 0 "[ . 1 .]" 3
8 1 10 ASP O 1 13 ARG H 2.000 . 2.300 2.313 2.211 2.356 0.056 11 0 "[ . 1 .]" 3
9 1 15 ILE H 1 125 THR O 2.000 . 2.300 2.478 2.391 2.548 0.248 9 0 "[ . 1 .]" 3
10 1 17 LYS H 1 20 ASN O 2.000 . 2.300 2.172 1.937 2.369 0.069 14 0 "[ . 1 .]" 3
11 1 18 ASP H 1 20 ASN O 2.000 . 2.300 2.351 2.316 2.430 0.130 14 0 "[ . 1 .]" 3
12 1 25 LEU O 1 28 GLU H 2.000 . 2.300 2.288 1.798 2.398 0.098 12 0 "[ . 1 .]" 3
13 1 25 LEU O 1 29 LEU H 2.000 . 2.300 2.353 2.300 2.437 0.137 5 0 "[ . 1 .]" 3
14 1 27 SER O 1 30 GLN H 2.000 . 2.300 2.330 2.077 2.453 0.153 10 0 "[ . 1 .]" 3
15 1 27 SER O 1 31 TYR H 2.000 . 2.300 2.087 1.892 2.280 . 0 0 "[ . 1 .]" 3
16 1 28 GLU O 1 32 VAL H 2.000 . 2.300 1.936 1.759 2.177 0.041 2 0 "[ . 1 .]" 3
17 1 29 LEU O 1 33 LYS H 2.000 . 2.300 2.323 2.219 2.412 0.112 10 0 "[ . 1 .]" 3
18 1 30 GLN O 1 34 LYS H 2.000 . 2.300 2.085 1.877 2.278 . 0 0 "[ . 1 .]" 3
19 1 31 TYR O 1 35 THR H 2.000 . 2.300 2.273 2.094 2.339 0.039 11 0 "[ . 1 .]" 3
20 1 32 VAL O 1 36 THR H 2.000 . 2.300 2.008 1.781 2.287 0.019 1 0 "[ . 1 .]" 3
21 1 33 LYS O 1 37 MET H 2.000 . 2.300 2.146 1.950 2.314 0.014 8 0 "[ . 1 .]" 3
22 1 38 GLY H 1 57 GLY O 2.000 . 2.300 2.133 1.884 2.341 0.041 12 0 "[ . 1 .]" 3
23 1 41 LEU H 1 59 ARG O 2.000 . 2.300 2.215 1.947 2.390 0.090 11 0 "[ . 1 .]" 3
24 1 42 ILE H 1 94 PHE O 2.000 . 2.300 2.234 2.043 2.358 0.058 13 0 "[ . 1 .]" 3
25 1 43 MET H 1 61 ILE O 2.000 . 2.300 1.962 1.786 2.223 0.014 11 0 "[ . 1 .]" 3
26 1 44 GLY H 1 97 GLY O 2.000 . 2.300 2.313 2.134 2.371 0.071 10 0 "[ . 1 .]" 3
27 1 44 GLY O 1 48 TYR H 2.000 . 2.300 2.011 1.796 2.278 0.004 10 0 "[ . 1 .]" 3
28 1 45 ARG O 1 49 GLU H 2.000 . 2.300 2.075 1.794 2.343 0.043 6 0 "[ . 1 .]" 3
29 1 46 LYS O 1 50 ALA H 2.000 . 2.300 2.194 1.917 2.391 0.091 5 0 "[ . 1 .]" 3
30 1 47 ASN O 1 51 ILE H 2.000 . 2.300 1.909 1.774 2.062 0.026 9 0 "[ . 1 .]" 3
31 1 48 TYR O 1 52 GLY H 2.000 . 2.300 1.879 1.758 2.153 0.042 13 0 "[ . 1 .]" 3
32 1 55 LEU O 1 58 ARG H 2.000 . 2.300 2.153 1.724 2.397 0.097 3 0 "[ . 1 .]" 3
33 1 41 LEU O 1 61 ILE H 2.000 . 2.300 1.880 1.780 2.110 0.020 4 0 "[ . 1 .]" 3
34 1 62 ILE H 1 75 GLU O 2.000 . 2.300 1.947 1.772 2.302 0.028 3 0 "[ . 1 .]" 3
35 1 43 MET O 1 63 VAL H 2.000 . 2.300 2.180 1.871 2.390 0.090 6 0 "[ . 1 .]" 3
36 1 64 THR H 1 77 ALA O 2.000 . 2.300 2.065 1.852 2.295 . 0 0 "[ . 1 .]" 3
37 1 66 ASN O 1 69 TYR H 2.000 . 2.300 2.281 2.105 2.318 0.018 15 0 "[ . 1 .]" 3
38 1 71 VAL O 1 74 CYS H 2.000 . 2.300 2.228 2.115 2.308 0.008 3 0 "[ . 1 .]" 3
39 1 60 ASN O 1 75 GLU H 2.000 . 2.300 2.190 2.019 2.336 0.036 6 0 "[ . 1 .]" 3
40 1 62 ILE O 1 77 ALA H 2.000 . 2.300 2.165 1.956 2.313 0.013 9 0 "[ . 1 .]" 3
41 1 79 SER O 1 83 VAL H 2.000 . 2.300 2.281 2.183 2.352 0.052 8 0 "[ . 1 .]" 3
42 1 80 VAL O 1 84 PHE H 2.000 . 2.300 1.912 1.772 2.065 0.028 1 0 "[ . 1 .]" 3
43 1 82 GLU O 1 86 LEU H 2.000 . 2.300 1.992 1.813 2.168 . 0 0 "[ . 1 .]" 3
44 1 83 VAL O 1 87 CYS H 2.000 . 2.300 2.217 1.956 2.316 0.016 4 0 "[ . 1 .]" 3
45 1 85 GLU O 1 88 LYS H 2.000 . 2.300 2.122 1.859 2.309 0.009 11 0 "[ . 1 .]" 3
46 1 87 CYS O 1 90 GLU H 2.000 . 2.300 2.171 2.061 2.282 . 0 0 "[ . 1 .]" 3
47 1 2 ILE O 1 93 ILE H 2.000 . 2.300 2.276 2.176 2.375 0.075 3 0 "[ . 1 .]" 3
48 1 40 PRO O 1 94 PHE H 2.000 . 2.300 2.327 2.202 2.379 0.079 2 0 "[ . 1 .]" 3
49 1 4 SER O 1 95 ILE H 2.000 . 2.300 1.984 1.785 2.301 0.015 13 0 "[ . 1 .]" 3
50 1 42 ILE O 1 96 PHE H 2.000 . 2.300 1.854 1.741 2.090 0.059 7 0 "[ . 1 .]" 3
51 1 42 ILE O 1 97 GLY H 2.000 . 2.300 2.068 1.748 2.378 0.078 6 0 "[ . 1 .]" 3
52 1 98 GLY O 1 102 TYR H 2.000 . 2.300 1.981 1.736 2.309 0.064 12 0 "[ . 1 .]" 3
53 1 99 ALA O 1 103 ASP H 2.000 . 2.300 2.199 1.993 2.320 0.020 13 0 "[ . 1 .]" 3
54 1 100 GLN O 1 104 LEU H 2.000 . 2.300 2.151 1.924 2.349 0.049 13 0 "[ . 1 .]" 3
55 1 101 ILE O 1 105 PHE H 2.000 . 2.300 2.140 1.946 2.443 0.143 9 0 "[ . 1 .]" 3
56 1 103 ASP O 1 106 LEU H 2.000 . 2.300 2.252 2.048 2.332 0.032 13 0 "[ . 1 .]" 3
57 1 105 PHE O 1 108 TYR H 2.000 . 2.300 2.163 1.815 2.337 0.037 4 0 "[ . 1 .]" 3
58 1 105 PHE O 1 109 VAL H 2.000 . 2.300 2.154 1.849 2.397 0.097 9 0 "[ . 1 .]" 3
59 1 3 VAL O 1 110 ASP H 2.000 . 2.300 2.195 1.855 2.339 0.039 13 0 "[ . 1 .]" 3
60 1 3 VAL O 1 111 LYS H 2.000 . 2.300 1.870 1.741 2.131 0.059 5 0 "[ . 1 .]" 3
61 1 112 LEU H 1 158 TYR O 2.000 . 2.300 1.896 1.729 2.128 0.071 13 0 "[ . 1 .]" 3
62 1 5 PHE O 1 113 TYR H 2.000 . 2.300 2.071 1.884 2.317 0.017 3 0 "[ . 1 .]" 3
63 1 7 VAL O 1 115 THR H 2.000 . 2.300 2.309 2.134 2.455 0.155 9 0 "[ . 1 .]" 3
64 1 116 LYS H 1 154 TYR O 2.000 . 2.300 2.081 1.766 2.323 0.034 4 0 "[ . 1 .]" 3
65 1 9 MET O 1 117 ILE H 2.000 . 2.300 2.067 1.834 2.295 . 0 0 "[ . 1 .]" 3
66 1 118 HIS H 1 152 THR O 2.000 . 2.300 2.240 2.080 2.336 0.036 3 0 "[ . 1 .]" 3
67 1 16 GLY O 1 125 THR H 2.000 . 2.300 2.279 2.033 2.445 0.145 10 0 "[ . 1 .]" 3
68 1 13 ARG O 1 127 PHE H 2.000 . 2.300 2.295 1.967 2.397 0.097 3 0 "[ . 1 .]" 3
69 1 138 VAL H 1 157 VAL O 2.000 . 2.300 2.219 2.145 2.316 0.016 7 0 "[ . 1 .]" 3
70 1 143 GLY H 1 153 TYR O 2.000 . 2.300 2.152 1.985 2.277 . 0 0 "[ . 1 .]" 3
71 1 146 ASP H 1 149 ASN O 2.000 . 2.300 2.095 1.800 2.292 . 0 0 "[ . 1 .]" 3
72 1 149 ASN O 1 151 TYR H 2.000 . 2.300 2.079 1.894 2.268 . 0 0 "[ . 1 .]" 3
73 1 116 LYS O 1 154 TYR H 2.000 . 2.300 1.938 1.798 2.236 0.002 15 0 "[ . 1 .]" 3
74 1 114 ILE O 1 156 HIS H 2.000 . 2.300 2.115 1.915 2.313 0.013 15 0 "[ . 1 .]" 3
75 1 139 PHE O 1 157 VAL H 2.000 . 2.300 2.079 1.822 2.241 . 0 0 "[ . 1 .]" 3
76 1 112 LEU O 1 158 TYR H 2.000 . 2.300 1.906 1.780 2.035 0.020 13 0 "[ . 1 .]" 3
77 1 136 LYS O 1 159 GLU H 2.000 . 2.300 2.106 1.850 2.308 0.008 10 0 "[ . 1 .]" 3
78 1 110 ASP O 1 160 LYS H 2.000 . 2.300 2.115 1.886 2.315 0.015 10 0 "[ . 1 .]" 3
79 1 8 ALA O 2 1 NAP N7N 2.500 . 5.000 4.590 3.511 4.981 . 0 0 "[ . 1 .]" 3
80 1 8 ALA H 2 1 NAP O7N 2.500 . 3.000 2.782 2.322 3.025 0.025 14 0 "[ . 1 .]" 3
81 1 98 GLY H 2 1 NAP O2A 4.000 . 6.000 5.836 5.524 6.056 0.056 7 0 "[ . 1 .]" 3
82 1 64 THR OG1 2 1 NAP O3X 2.500 . 3.000 2.935 2.701 3.052 0.052 9 0 "[ . 1 .]" 3
83 1 45 ARG NE 2 1 NAP O3X 2.500 . 3.000 2.897 2.625 3.106 0.106 4 0 "[ . 1 .]" 3
84 1 45 ARG NH2 2 1 NAP O2X 2.500 . 3.000 4.443 2.882 5.918 2.918 4 13 "[ *-+.**********]" 3
85 1 15 ILE O 2 1 NAP N7N 4.000 . 6.000 4.623 2.812 5.910 . 0 0 "[ . 1 .]" 3
86 1 47 ASN H 2 1 NAP O2A 2.500 . 3.000 2.982 2.825 3.046 0.046 13 0 "[ . 1 .]" 3
87 1 101 ILE H 2 1 NAP O1A 2.500 . 4.000 3.398 2.906 4.067 0.067 12 0 "[ . 1 .]" 3
88 1 65 ARG H 2 1 NAP O1X 2.500 . 4.000 3.427 2.683 3.949 . 0 0 "[ . 1 .]" 3
89 1 100 GLN H 2 1 NAP O2N 2.500 . 3.000 2.666 1.991 3.116 0.116 7 0 "[ . 1 .]" 3
90 1 100 GLN H 2 1 NAP O5B 4.000 . 6.000 5.459 4.629 6.035 0.035 2 0 "[ . 1 .]" 3
91 1 20 ASN H 2 1 NAP O3D 4.000 . 6.000 5.234 4.228 6.051 0.051 10 0 "[ . 1 .]" 3
92 1 28 GLU OE1 3 1 N22 N4 2.500 . 5.000 4.506 3.812 5.360 0.360 12 0 "[ . 1 .]" 3
93 1 28 GLU OE2 3 1 N22 N8 2.500 . 4.000 3.586 2.238 4.006 0.006 5 0 "[ . 1 .]" 3
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