Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538729 | 2ls8 RC | 18415 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ls8
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 2029
_Distance_constraint_stats_list.Viol_count 1933
_Distance_constraint_stats_list.Viol_total 2004.234
_Distance_constraint_stats_list.Viol_max 0.521
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 0.188 0.064 16 0 "[ . 1 . 2]"
1 2 VAL 0.876 0.117 11 0 "[ . 1 . 2]"
1 3 CYS 0.365 0.095 4 0 "[ . 1 . 2]"
1 4 PRO 0.196 0.095 4 0 "[ . 1 . 2]"
1 5 ILE 0.253 0.078 1 0 "[ . 1 . 2]"
1 6 ASP 0.343 0.108 19 0 "[ . 1 . 2]"
1 7 TRP 1.845 0.132 7 0 "[ . 1 . 2]"
1 8 ARG 2.908 0.210 13 0 "[ . 1 . 2]"
1 9 ALA 0.731 0.110 10 0 "[ . 1 . 2]"
1 10 PHE 1.752 0.099 11 0 "[ . 1 . 2]"
1 11 GLN 0.832 0.074 16 0 "[ . 1 . 2]"
1 12 SER 0.128 0.056 17 0 "[ . 1 . 2]"
1 13 ASN 1.790 0.165 14 0 "[ . 1 . 2]"
1 14 CYS 1.992 0.145 4 0 "[ . 1 . 2]"
1 15 TYR 1.229 0.146 8 0 "[ . 1 . 2]"
1 16 PHE 0.655 0.110 19 0 "[ . 1 . 2]"
1 17 PRO 0.329 0.058 13 0 "[ . 1 . 2]"
1 18 LEU 0.949 0.153 4 0 "[ . 1 . 2]"
1 19 THR 0.884 0.259 20 0 "[ . 1 . 2]"
1 20 ASP 1.679 0.275 5 0 "[ . 1 . 2]"
1 21 ASN 1.644 0.275 5 0 "[ . 1 . 2]"
1 22 LYS 5.790 0.297 5 0 "[ . 1 . 2]"
1 23 THR 2.143 0.162 14 0 "[ . 1 . 2]"
1 24 TRP 0.260 0.035 15 0 "[ . 1 . 2]"
1 25 ALA 0.533 0.095 5 0 "[ . 1 . 2]"
1 26 GLU 1.404 0.183 12 0 "[ . 1 . 2]"
1 27 SER 1.419 0.145 17 0 "[ . 1 . 2]"
1 28 GLU 1.184 0.256 12 0 "[ . 1 . 2]"
1 29 ARG 2.338 0.193 2 0 "[ . 1 . 2]"
1 30 ASN 1.360 0.193 2 0 "[ . 1 . 2]"
1 31 CYS 1.472 0.140 4 0 "[ . 1 . 2]"
1 32 SER 1.184 0.136 17 0 "[ . 1 . 2]"
1 33 GLY 0.602 0.114 19 0 "[ . 1 . 2]"
1 34 MET 1.679 0.132 7 0 "[ . 1 . 2]"
1 35 GLY 0.059 0.058 6 0 "[ . 1 . 2]"
1 36 ALA 0.924 0.140 4 0 "[ . 1 . 2]"
1 37 HIS 1.733 0.215 19 0 "[ . 1 . 2]"
1 38 LEU 1.756 0.256 12 0 "[ . 1 . 2]"
1 39 MET 2.091 0.232 13 0 "[ . 1 . 2]"
1 40 THR 0.656 0.087 19 0 "[ . 1 . 2]"
1 41 ILE 2.189 0.259 13 0 "[ . 1 . 2]"
1 42 SER 0.536 0.259 13 0 "[ . 1 . 2]"
1 43 THR 1.360 0.150 14 0 "[ . 1 . 2]"
1 44 GLU 2.053 0.521 10 1 "[ . + . 2]"
1 45 ALA 1.323 0.282 1 0 "[ . 1 . 2]"
1 46 GLU 0.944 0.149 3 0 "[ . 1 . 2]"
1 47 GLN 1.462 0.357 13 0 "[ . 1 . 2]"
1 48 ASN 3.597 0.282 1 0 "[ . 1 . 2]"
1 49 PHE 1.553 0.196 13 0 "[ . 1 . 2]"
1 50 ILE 1.437 0.075 9 0 "[ . 1 . 2]"
1 51 ILE 0.359 0.044 12 0 "[ . 1 . 2]"
1 52 GLN 1.543 0.105 13 0 "[ . 1 . 2]"
1 53 PHE 2.787 0.115 10 0 "[ . 1 . 2]"
1 54 LEU 0.492 0.096 1 0 "[ . 1 . 2]"
1 55 ASP 1.366 0.122 6 0 "[ . 1 . 2]"
1 56 ARG 0.969 0.394 19 0 "[ . 1 . 2]"
1 57 ARG 1.581 0.175 4 0 "[ . 1 . 2]"
1 58 LEU 1.505 0.175 4 0 "[ . 1 . 2]"
1 59 SER 2.528 0.317 3 0 "[ . 1 . 2]"
1 60 TYR 0.650 0.166 4 0 "[ . 1 . 2]"
1 61 PHE 0.556 0.109 13 0 "[ . 1 . 2]"
1 62 LEU 0.498 0.213 18 0 "[ . 1 . 2]"
1 63 GLY 0.318 0.174 19 0 "[ . 1 . 2]"
1 64 LEU 1.002 0.113 6 0 "[ . 1 . 2]"
1 65 ARG 2.142 0.229 14 0 "[ . 1 . 2]"
1 66 ASP 0.230 0.082 9 0 "[ . 1 . 2]"
1 67 GLU 1.463 0.268 4 0 "[ . 1 . 2]"
1 68 ASN 2.338 0.282 13 0 "[ . 1 . 2]"
1 69 ALA 1.384 0.282 13 0 "[ . 1 . 2]"
1 70 LYS 3.050 0.229 14 0 "[ . 1 . 2]"
1 71 GLY 0.091 0.078 6 0 "[ . 1 . 2]"
1 72 GLN 0.137 0.041 6 0 "[ . 1 . 2]"
1 73 TRP 0.978 0.094 1 0 "[ . 1 . 2]"
1 74 ARG 0.334 0.134 2 0 "[ . 1 . 2]"
1 75 TRP 2.516 0.169 2 0 "[ . 1 . 2]"
1 76 VAL 0.706 0.174 19 0 "[ . 1 . 2]"
1 77 ASP 0.997 0.185 6 0 "[ . 1 . 2]"
1 78 GLN 1.694 0.151 13 0 "[ . 1 . 2]"
1 79 THR 1.047 0.169 2 0 "[ . 1 . 2]"
1 80 PRO 1.244 0.151 13 0 "[ . 1 . 2]"
1 81 PHE 0.581 0.096 8 0 "[ . 1 . 2]"
1 82 ASN 1.688 0.193 11 0 "[ . 1 . 2]"
1 83 PRO 0.189 0.032 3 0 "[ . 1 . 2]"
1 84 ARG 2.785 0.278 4 0 "[ . 1 . 2]"
1 85 ARG 1.620 0.150 14 0 "[ . 1 . 2]"
1 86 VAL 1.284 0.100 19 0 "[ . 1 . 2]"
1 87 PHE 1.545 0.521 10 1 "[ . + . 2]"
1 88 TRP 1.734 0.107 7 0 "[ . 1 . 2]"
1 89 HIS 3.783 0.184 9 0 "[ . 1 . 2]"
1 90 LYS 3.658 0.288 16 0 "[ . 1 . 2]"
1 91 ASN 3.090 0.288 16 0 "[ . 1 . 2]"
1 92 GLU 1.424 0.209 10 0 "[ . 1 . 2]"
1 95 ASN 0.089 0.089 19 0 "[ . 1 . 2]"
1 96 SER 1.159 0.155 20 0 "[ . 1 . 2]"
1 97 GLN 1.767 0.155 20 0 "[ . 1 . 2]"
1 98 GLY 0.668 0.131 13 0 "[ . 1 . 2]"
1 99 GLU 1.089 0.187 15 0 "[ . 1 . 2]"
1 100 ASN 0.240 0.084 13 0 "[ . 1 . 2]"
1 101 CYS 0.205 0.149 13 0 "[ . 1 . 2]"
1 102 VAL 1.126 0.113 6 0 "[ . 1 . 2]"
1 103 VAL 4.325 0.317 3 0 "[ . 1 . 2]"
1 104 LEU 1.451 0.357 13 0 "[ . 1 . 2]"
1 105 VAL 1.143 0.131 18 0 "[ . 1 . 2]"
1 106 TYR 0.256 0.090 8 0 "[ . 1 . 2]"
1 107 ASN 0.366 0.068 5 0 "[ . 1 . 2]"
1 108 GLN 0.737 0.134 8 0 "[ . 1 . 2]"
1 109 ASP 0.008 0.008 14 0 "[ . 1 . 2]"
1 110 LYS 3.015 0.183 1 0 "[ . 1 . 2]"
1 111 TRP 1.380 0.132 1 0 "[ . 1 . 2]"
1 112 ALA 0.720 0.104 8 0 "[ . 1 . 2]"
1 113 TRP 0.345 0.068 2 0 "[ . 1 . 2]"
1 114 ASN 0.761 0.110 2 0 "[ . 1 . 2]"
1 115 ASP 0.379 0.150 18 0 "[ . 1 . 2]"
1 116 VAL 0.699 0.149 13 0 "[ . 1 . 2]"
1 117 PRO 1.008 0.085 19 0 "[ . 1 . 2]"
1 118 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ASN 0.885 0.103 17 0 "[ . 1 . 2]"
1 120 PHE 1.299 0.114 7 0 "[ . 1 . 2]"
1 121 GLU 2.403 0.297 5 0 "[ . 1 . 2]"
1 122 ALA 1.242 0.162 2 0 "[ . 1 . 2]"
1 123 SER 0.267 0.084 6 0 "[ . 1 . 2]"
1 124 ARG 0.262 0.062 20 0 "[ . 1 . 2]"
1 125 ILE 0.608 0.151 12 0 "[ . 1 . 2]"
1 126 CYS 0.190 0.057 8 0 "[ . 1 . 2]"
1 127 LYS 2.217 0.145 4 0 "[ . 1 . 2]"
1 128 ILE 1.748 0.143 3 0 "[ . 1 . 2]"
1 129 PRO 0.861 0.125 8 0 "[ . 1 . 2]"
1 130 GLY 0.266 0.097 7 0 "[ . 1 . 2]"
1 131 THR 2.046 0.125 8 0 "[ . 1 . 2]"
1 132 THR 1.531 0.143 3 0 "[ . 1 . 2]"
1 133 LEU 0.098 0.098 20 0 "[ . 1 . 2]"
1 134 ASN 0.981 0.098 20 0 "[ . 1 . 2]"
1 135 ALA 1.745 0.277 11 0 "[ . 1 . 2]"
1 136 GLU 2.704 0.277 11 0 "[ . 1 . 2]"
1 137 ASN 1.477 0.141 11 0 "[ . 1 . 2]"
1 138 LEU 0.853 0.226 19 0 "[ . 1 . 2]"
1 139 TYR 1.075 0.135 14 0 "[ . 1 . 2]"
1 140 PHE 1.385 0.141 11 0 "[ . 1 . 2]"
1 141 GLN 1.330 0.196 14 0 "[ . 1 . 2]"
1 142 SER 1.774 0.196 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL HA 1 2 VAL MG2 3.000 . 3.600 2.627 2.239 3.220 . 0 0 "[ . 1 . 2]" 1
2 1 3 CYS H 1 3 CYS HB2 3.300 . 4.000 3.015 2.531 3.880 . 0 0 "[ . 1 . 2]" 1
3 1 5 ILE HA 1 5 ILE MG 3.000 . 3.700 2.653 2.286 3.215 . 0 0 "[ . 1 . 2]" 1
4 1 6 ASP H 1 6 ASP QB 3.400 . 4.100 2.680 2.172 3.108 . 0 0 "[ . 1 . 2]" 1
5 1 7 TRP HA 1 7 TRP HD1 4.600 . 5.500 3.510 2.816 4.002 . 0 0 "[ . 1 . 2]" 1
6 1 7 TRP HA 1 7 TRP HE3 5.100 . 6.100 4.057 3.310 4.739 . 0 0 "[ . 1 . 2]" 1
7 1 7 TRP H 1 7 TRP HB2 3.000 . 3.600 2.407 2.281 2.516 . 0 0 "[ . 1 . 2]" 1
8 1 7 TRP H 1 7 TRP HB3 3.200 . 3.800 3.598 3.551 3.644 . 0 0 "[ . 1 . 2]" 1
9 1 7 TRP H 1 7 TRP HD1 2.700 . 3.200 2.202 1.797 2.648 0.003 3 0 "[ . 1 . 2]" 1
10 1 7 TRP H 1 7 TRP HE1 4.300 . 5.200 4.707 4.355 5.007 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG HA 1 8 ARG HD2 2.700 . 3.200 2.679 1.898 3.410 0.210 13 0 "[ . 1 . 2]" 1
12 1 8 ARG HA 1 8 ARG HD3 3.200 . 3.800 2.423 1.729 3.718 0.071 8 0 "[ . 1 . 2]" 1
13 1 8 ARG HA 1 8 ARG HG3 4.200 . 5.000 3.317 2.603 3.853 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG HA 1 8 ARG HG2 3.900 . 4.700 3.459 3.112 3.762 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG HB3 1 8 ARG HD2 3.400 . 4.100 3.308 2.501 4.204 0.104 9 0 "[ . 1 . 2]" 1
16 1 8 ARG HB3 1 8 ARG HD3 3.600 . 4.300 3.482 2.958 4.185 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 8 ARG QB 3.200 . 3.800 2.377 2.109 2.618 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG HE 1 8 ARG HG3 3.100 . 3.700 2.885 2.509 3.764 0.064 17 0 "[ . 1 . 2]" 1
19 1 8 ARG HE 1 8 ARG HG2 3.400 . 4.100 2.876 2.402 3.709 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 8 ARG HG3 4.300 . 5.000 4.202 3.574 4.574 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG H 1 8 ARG HG2 3.900 . 4.700 3.633 2.029 4.709 0.009 13 0 "[ . 1 . 2]" 1
22 1 9 ALA H 1 9 ALA MB 2.700 . 3.300 2.280 2.236 2.357 . 0 0 "[ . 1 . 2]" 1
23 1 10 PHE HA 1 10 PHE QD 3.400 . 4.200 2.634 2.519 2.782 . 0 0 "[ . 1 . 2]" 1
24 1 10 PHE HA 1 10 PHE QE 5.100 . 6.200 4.580 4.512 4.641 . 0 0 "[ . 1 . 2]" 1
25 1 10 PHE H 1 10 PHE HB2 3.900 . 4.700 3.197 2.924 3.371 . 0 0 "[ . 1 . 2]" 1
26 1 10 PHE H 1 10 PHE HB3 4.000 . 4.800 2.739 2.575 2.864 . 0 0 "[ . 1 . 2]" 1
27 1 10 PHE H 1 10 PHE QD 3.900 . 4.800 4.344 4.249 4.416 . 0 0 "[ . 1 . 2]" 1
28 1 11 GLN HA 1 11 GLN HG2 2.900 . 3.500 2.511 2.403 2.654 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLN HA 1 11 GLN HG3 2.600 . 3.100 3.092 3.018 3.174 0.074 16 0 "[ . 1 . 2]" 1
30 1 11 GLN HB2 1 11 GLN HE21 4.600 . 5.500 2.972 1.791 4.452 0.009 10 0 "[ . 1 . 2]" 1
31 1 11 GLN HB3 1 11 GLN HE21 3.900 . 4.700 3.184 1.781 4.440 0.019 5 0 "[ . 1 . 2]" 1
32 1 11 GLN HB3 1 11 GLN HE22 3.800 . 4.600 4.024 3.422 4.628 0.028 9 0 "[ . 1 . 2]" 1
33 1 11 GLN HE21 1 11 GLN HG2 3.300 . 4.000 3.094 2.225 3.499 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLN HE21 1 11 GLN HG3 3.500 . 4.100 2.796 2.245 3.485 . 0 0 "[ . 1 . 2]" 1
35 1 11 GLN HE22 1 11 GLN HG2 3.500 . 4.200 3.870 3.478 4.059 . 0 0 "[ . 1 . 2]" 1
36 1 11 GLN HE22 1 11 GLN HG3 3.300 . 4.000 3.734 3.486 4.052 0.052 11 0 "[ . 1 . 2]" 1
37 1 11 GLN H 1 11 GLN HB2 3.600 . 4.300 3.567 3.511 3.635 . 0 0 "[ . 1 . 2]" 1
38 1 11 GLN H 1 11 GLN HB3 3.600 . 4.300 4.083 4.040 4.111 . 0 0 "[ . 1 . 2]" 1
39 1 11 GLN H 1 11 GLN HG2 3.200 . 3.800 3.539 3.411 3.722 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLN H 1 11 GLN HG3 3.000 . 3.600 3.013 2.834 3.154 . 0 0 "[ . 1 . 2]" 1
41 1 12 SER H 1 12 SER HB2 3.600 . 4.300 2.955 2.539 3.852 . 0 0 "[ . 1 . 2]" 1
42 1 12 SER H 1 12 SER HB3 3.500 . 4.200 3.516 2.528 3.951 . 0 0 "[ . 1 . 2]" 1
43 1 13 ASN HB2 1 13 ASN HD22 3.700 . 4.400 3.506 3.438 4.048 . 0 0 "[ . 1 . 2]" 1
44 1 13 ASN H 1 13 ASN HB2 3.400 . 4.000 2.641 2.399 3.819 . 0 0 "[ . 1 . 2]" 1
45 1 13 ASN H 1 13 ASN HB3 3.200 . 3.800 3.693 3.313 3.833 0.033 20 0 "[ . 1 . 2]" 1
46 1 13 ASN H 1 13 ASN HD21 3.900 . 4.700 3.322 2.504 4.268 . 0 0 "[ . 1 . 2]" 1
47 1 13 ASN H 1 13 ASN HD22 3.500 . 4.200 4.195 3.749 4.365 0.165 14 0 "[ . 1 . 2]" 1
48 1 15 TYR HB2 1 15 TYR QE 4.500 . 5.500 4.427 4.399 4.451 . 0 0 "[ . 1 . 2]" 1
49 1 15 TYR HB3 1 15 TYR QE 4.500 . 5.500 4.406 4.377 4.428 . 0 0 "[ . 1 . 2]" 1
50 1 15 TYR H 1 15 TYR HB2 3.500 . 4.200 2.706 2.449 2.840 . 0 0 "[ . 1 . 2]" 1
51 1 15 TYR H 1 15 TYR HB3 3.300 . 4.000 3.783 3.662 3.854 . 0 0 "[ . 1 . 2]" 1
52 1 15 TYR H 1 15 TYR QD 3.500 . 4.300 2.496 2.119 2.924 . 0 0 "[ . 1 . 2]" 1
53 1 15 TYR H 1 15 TYR QE 4.100 . 5.000 4.494 4.240 4.910 . 0 0 "[ . 1 . 2]" 1
54 1 16 PHE HA 1 16 PHE QD 3.600 . 4.400 2.370 1.908 2.712 . 0 0 "[ . 1 . 2]" 1
55 1 16 PHE HA 1 16 PHE QE 5.500 . 6.700 4.425 4.204 4.578 . 0 0 "[ . 1 . 2]" 1
56 1 16 PHE H 1 16 PHE HB2 3.200 . 3.800 3.014 2.825 3.184 . 0 0 "[ . 1 . 2]" 1
57 1 16 PHE H 1 16 PHE HB3 3.400 . 4.100 2.729 2.594 2.894 . 0 0 "[ . 1 . 2]" 1
58 1 18 LEU HA 1 18 LEU QD . . 3.700 2.867 1.855 3.326 . 0 0 "[ . 1 . 2]" 1
59 1 18 LEU HA 1 18 LEU HG 3.900 . 4.700 2.950 2.439 3.873 . 0 0 "[ . 1 . 2]" 1
60 1 18 LEU H 1 18 LEU HB2 3.400 . 4.100 2.779 2.381 3.892 . 0 0 "[ . 1 . 2]" 1
61 1 18 LEU H 1 18 LEU HB3 3.400 . 4.100 3.686 3.378 3.838 . 0 0 "[ . 1 . 2]" 1
62 1 18 LEU H 1 18 LEU QD 3.900 . 4.800 2.239 1.760 2.480 0.040 12 0 "[ . 1 . 2]" 1
63 1 18 LEU H 1 18 LEU HG 3.600 . 4.300 3.645 2.889 4.341 0.041 11 0 "[ . 1 . 2]" 1
64 1 19 THR HA 1 19 THR MG 2.700 . 3.300 2.270 2.189 2.333 . 0 0 "[ . 1 . 2]" 1
65 1 19 THR H 1 19 THR HB 3.500 . 4.200 3.619 3.520 3.684 . 0 0 "[ . 1 . 2]" 1
66 1 19 THR H 1 19 THR MG 3.100 . 3.800 2.806 2.530 3.121 . 0 0 "[ . 1 . 2]" 1
67 1 20 ASP H 1 20 ASP HB2 3.200 . 3.900 3.253 2.666 3.683 . 0 0 "[ . 1 . 2]" 1
68 1 21 ASN HB2 1 21 ASN HD21 3.200 . 3.800 2.661 2.144 3.492 . 0 0 "[ . 1 . 2]" 1
69 1 21 ASN HB2 1 21 ASN HD22 3.700 . 4.400 3.674 3.443 4.059 . 0 0 "[ . 1 . 2]" 1
70 1 21 ASN HB3 1 21 ASN HD21 3.500 . 4.200 2.994 2.174 3.529 . 0 0 "[ . 1 . 2]" 1
71 1 21 ASN HB3 1 21 ASN HD22 3.400 . 4.100 3.824 3.444 4.076 . 0 0 "[ . 1 . 2]" 1
72 1 21 ASN H 1 21 ASN HB2 3.300 . 4.000 3.070 2.346 3.702 . 0 0 "[ . 1 . 2]" 1
73 1 21 ASN H 1 21 ASN HB3 3.300 . 3.900 3.410 2.687 4.086 0.186 17 0 "[ . 1 . 2]" 1
74 1 21 ASN H 1 21 ASN HD21 3.800 . 4.600 4.028 2.273 4.705 0.105 4 0 "[ . 1 . 2]" 1
75 1 21 ASN H 1 21 ASN HD22 4.300 . 5.200 4.355 2.965 5.100 . 0 0 "[ . 1 . 2]" 1
76 1 22 LYS HA 1 22 LYS HD2 3.200 . 3.800 3.087 1.964 4.021 0.221 16 0 "[ . 1 . 2]" 1
77 1 22 LYS HA 1 22 LYS HD3 4.000 . 4.800 2.719 1.727 4.538 0.073 2 0 "[ . 1 . 2]" 1
78 1 22 LYS HA 1 22 LYS HE2 4.600 . 5.500 3.986 2.588 5.588 0.088 16 0 "[ . 1 . 2]" 1
79 1 22 LYS HA 1 22 LYS HE3 4.400 . 5.300 4.079 2.520 4.715 . 0 0 "[ . 1 . 2]" 1
80 1 22 LYS HA 1 22 LYS HG2 3.200 . 3.800 3.050 2.658 3.718 . 0 0 "[ . 1 . 2]" 1
81 1 22 LYS HA 1 22 LYS HG3 3.500 . 4.300 3.501 2.093 3.905 . 0 0 "[ . 1 . 2]" 1
82 1 22 LYS H 1 22 LYS HB3 3.700 . 4.400 3.732 2.903 3.995 . 0 0 "[ . 1 . 2]" 1
83 1 22 LYS H 1 22 LYS HG2 4.000 . 4.800 3.750 2.991 5.030 0.230 14 0 "[ . 1 . 2]" 1
84 1 23 THR HA 1 23 THR MG 2.800 . 3.500 2.344 2.150 2.417 . 0 0 "[ . 1 . 2]" 1
85 1 23 THR H 1 23 THR MG 2.900 . 3.600 2.351 2.127 3.261 . 0 0 "[ . 1 . 2]" 1
86 1 24 TRP HA 1 24 TRP HE3 3.900 . 4.700 4.418 4.079 4.692 . 0 0 "[ . 1 . 2]" 1
87 1 24 TRP HB2 1 24 TRP HE3 4.200 . 5.000 4.113 4.013 4.188 . 0 0 "[ . 1 . 2]" 1
88 1 24 TRP H 1 24 TRP HB2 3.000 . 3.600 2.391 2.306 2.475 . 0 0 "[ . 1 . 2]" 1
89 1 24 TRP H 1 24 TRP HB3 3.300 . 4.000 2.707 2.608 2.812 . 0 0 "[ . 1 . 2]" 1
90 1 25 ALA H 1 25 ALA MB 2.800 . 3.500 2.231 2.214 2.243 . 0 0 "[ . 1 . 2]" 1
91 1 26 GLU HA 1 26 GLU HG2 3.200 . 3.800 2.747 2.316 3.369 . 0 0 "[ . 1 . 2]" 1
92 1 26 GLU HA 1 26 GLU HG3 3.100 . 3.700 3.394 2.932 3.718 0.018 12 0 "[ . 1 . 2]" 1
93 1 26 GLU H 1 26 GLU HB2 3.200 . 3.800 2.404 2.105 2.592 . 0 0 "[ . 1 . 2]" 1
94 1 26 GLU H 1 26 GLU HG2 3.200 . 3.800 2.955 2.187 3.598 . 0 0 "[ . 1 . 2]" 1
95 1 26 GLU H 1 26 GLU HG3 3.400 . 4.000 3.099 2.056 4.010 0.010 4 0 "[ . 1 . 2]" 1
96 1 27 SER H 1 27 SER HB2 3.800 . 4.600 2.669 2.456 3.621 . 0 0 "[ . 1 . 2]" 1
97 1 27 SER H 1 27 SER HB3 3.300 . 4.000 3.211 2.509 3.595 . 0 0 "[ . 1 . 2]" 1
98 1 28 GLU H 1 28 GLU QB 2.600 . 3.100 2.244 2.022 2.538 . 0 0 "[ . 1 . 2]" 1
99 1 29 ARG HA 1 29 ARG QD 3.700 . 4.400 3.557 1.755 4.162 0.045 8 0 "[ . 1 . 2]" 1
100 1 29 ARG HA 1 29 ARG HG2 3.400 . 4.000 2.771 2.362 3.555 . 0 0 "[ . 1 . 2]" 1
101 1 29 ARG HA 1 29 ARG HG3 3.400 . 4.000 3.070 2.458 3.740 . 0 0 "[ . 1 . 2]" 1
102 1 29 ARG QB 1 29 ARG QD 2.400 . 2.900 2.264 2.078 2.923 0.023 6 0 "[ . 1 . 2]" 1
103 1 29 ARG H 1 29 ARG QD 3.800 . 4.600 3.930 2.668 4.638 0.038 12 0 "[ . 1 . 2]" 1
104 1 29 ARG QB 1 29 ARG HG2 2.400 . 2.900 2.332 2.148 2.471 . 0 0 "[ . 1 . 2]" 1
105 1 29 ARG QB 1 29 ARG HG3 2.300 . 2.800 2.299 2.150 2.386 . 0 0 "[ . 1 . 2]" 1
106 1 29 ARG H 1 29 ARG HB2 2.300 . 2.800 2.445 2.025 2.711 . 0 0 "[ . 1 . 2]" 1
107 1 29 ARG H 1 29 ARG HG2 3.500 . 4.200 3.564 2.369 4.384 0.184 12 0 "[ . 1 . 2]" 1
108 1 29 ARG H 1 29 ARG HG3 3.600 . 4.400 3.103 2.094 4.494 0.094 1 0 "[ . 1 . 2]" 1
109 1 30 ASN HA 1 30 ASN HD21 3.200 . 3.800 2.134 1.788 2.841 0.012 19 0 "[ . 1 . 2]" 1
110 1 30 ASN HA 1 30 ASN HD22 3.400 . 4.000 3.582 3.406 3.942 . 0 0 "[ . 1 . 2]" 1
111 1 30 ASN HB2 1 30 ASN HD22 3.700 . 4.400 3.733 3.485 4.068 . 0 0 "[ . 1 . 2]" 1
112 1 30 ASN HB3 1 30 ASN HD22 3.600 . 4.200 4.041 3.780 4.075 . 0 0 "[ . 1 . 2]" 1
113 1 30 ASN H 1 30 ASN HB2 2.700 . 3.200 2.601 2.308 2.787 . 0 0 "[ . 1 . 2]" 1
114 1 30 ASN H 1 30 ASN HB3 2.600 . 3.100 2.548 2.384 2.834 . 0 0 "[ . 1 . 2]" 1
115 1 31 CYS H 1 31 CYS HB2 3.300 . 3.900 2.400 2.230 2.691 . 0 0 "[ . 1 . 2]" 1
116 1 31 CYS H 1 31 CYS HB3 3.100 . 3.700 3.552 2.896 3.722 0.022 13 0 "[ . 1 . 2]" 1
117 1 32 SER H 1 32 SER HB2 3.600 . 4.200 3.649 3.246 4.148 . 0 0 "[ . 1 . 2]" 1
118 1 32 SER H 1 32 SER HB3 3.400 . 4.100 3.973 3.266 4.137 0.037 2 0 "[ . 1 . 2]" 1
119 1 33 GLY H 1 33 GLY QA 2.000 . 2.400 2.203 2.192 2.208 . 0 0 "[ . 1 . 2]" 1
120 1 34 MET HA 1 34 MET ME 3.900 . 4.700 4.381 3.994 4.502 . 0 0 "[ . 1 . 2]" 1
121 1 34 MET HA 1 34 MET HG2 3.300 . 4.000 2.876 2.477 3.734 . 0 0 "[ . 1 . 2]" 1
122 1 34 MET HA 1 34 MET HG3 3.800 . 4.500 3.399 3.050 4.243 . 0 0 "[ . 1 . 2]" 1
123 1 34 MET ME 1 34 MET HG2 3.200 . 3.800 3.309 2.479 3.414 . 0 0 "[ . 1 . 2]" 1
124 1 34 MET ME 1 34 MET HG3 2.800 . 3.500 2.558 2.378 3.398 . 0 0 "[ . 1 . 2]" 1
125 1 34 MET H 1 34 MET HB2 3.400 . 4.100 2.820 2.417 3.716 . 0 0 "[ . 1 . 2]" 1
126 1 34 MET H 1 34 MET HB3 3.100 . 3.700 3.385 2.730 3.670 . 0 0 "[ . 1 . 2]" 1
127 1 34 MET H 1 34 MET ME 4.000 . 4.900 3.461 2.870 3.740 . 0 0 "[ . 1 . 2]" 1
128 1 34 MET H 1 34 MET HG2 3.200 . 3.800 3.412 1.930 3.816 0.016 20 0 "[ . 1 . 2]" 1
129 1 34 MET H 1 34 MET HG3 3.300 . 4.000 2.901 2.537 3.891 . 0 0 "[ . 1 . 2]" 1
130 1 36 ALA H 1 36 ALA MB 3.000 . 3.700 2.428 2.299 2.671 . 0 0 "[ . 1 . 2]" 1
131 1 37 HIS HB2 1 37 HIS HD2 3.100 . 3.600 3.071 2.658 3.815 0.215 19 0 "[ . 1 . 2]" 1
132 1 37 HIS H 1 37 HIS HB2 3.600 . 4.300 2.831 2.699 3.070 . 0 0 "[ . 1 . 2]" 1
133 1 38 LEU HA 1 38 LEU QD 3.600 . 4.400 1.971 1.801 2.435 . 0 0 "[ . 1 . 2]" 1
134 1 38 LEU H 1 38 LEU HB2 3.400 . 4.100 2.289 2.139 2.527 . 0 0 "[ . 1 . 2]" 1
135 1 38 LEU H 1 38 LEU HB3 3.500 . 4.200 3.384 2.407 3.599 . 0 0 "[ . 1 . 2]" 1
136 1 38 LEU H 1 38 LEU QD 4.200 . 5.000 2.659 1.957 3.700 . 0 0 "[ . 1 . 2]" 1
137 1 38 LEU H 1 38 LEU HG 3.800 . 4.500 3.802 2.376 4.557 0.057 19 0 "[ . 1 . 2]" 1
138 1 39 MET HA 1 39 MET ME 4.700 . 5.700 4.232 3.258 4.661 . 0 0 "[ . 1 . 2]" 1
139 1 39 MET H 1 39 MET QB 3.400 . 4.100 2.248 2.161 2.305 . 0 0 "[ . 1 . 2]" 1
140 1 39 MET ME 1 39 MET HG2 3.100 . 3.800 2.530 2.423 3.407 . 0 0 "[ . 1 . 2]" 1
141 1 40 THR H 1 40 THR HB 3.900 . 4.700 3.560 2.967 3.744 . 0 0 "[ . 1 . 2]" 1
142 1 41 ILE HA 1 41 ILE MD 3.400 . 4.200 3.642 2.193 3.834 . 0 0 "[ . 1 . 2]" 1
143 1 41 ILE HA 1 41 ILE HG12 4.200 . 5.000 2.537 2.413 3.046 . 0 0 "[ . 1 . 2]" 1
144 1 41 ILE HA 1 41 ILE HG13 3.500 . 4.200 3.152 3.034 3.805 . 0 0 "[ . 1 . 2]" 1
145 1 41 ILE HA 1 41 ILE MG 2.700 . 3.200 2.399 2.352 2.476 . 0 0 "[ . 1 . 2]" 1
146 1 41 ILE HB 1 41 ILE MD 3.400 . 4.200 2.550 2.416 3.234 . 0 0 "[ . 1 . 2]" 1
147 1 42 SER H 1 42 SER HB2 3.400 . 4.200 2.844 2.500 3.662 . 0 0 "[ . 1 . 2]" 1
148 1 43 THR HA 1 43 THR MG 2.500 . 3.100 2.410 2.241 3.194 0.094 10 0 "[ . 1 . 2]" 1
149 1 43 THR H 1 43 THR MG 3.600 . 4.400 2.968 2.194 3.274 . 0 0 "[ . 1 . 2]" 1
150 1 44 GLU HA 1 44 GLU HG2 3.600 . 4.300 3.219 2.699 3.759 . 0 0 "[ . 1 . 2]" 1
151 1 44 GLU HA 1 44 GLU HG3 3.600 . 4.200 3.369 2.671 3.917 . 0 0 "[ . 1 . 2]" 1
152 1 44 GLU H 1 44 GLU HB2 2.900 . 3.500 3.025 2.347 3.582 0.082 20 0 "[ . 1 . 2]" 1
153 1 44 GLU H 1 44 GLU HB3 2.900 . 3.500 3.002 2.494 3.538 0.038 17 0 "[ . 1 . 2]" 1
154 1 44 GLU H 1 44 GLU HG2 3.500 . 4.200 2.644 1.763 3.639 0.037 11 0 "[ . 1 . 2]" 1
155 1 44 GLU H 1 44 GLU HG3 3.200 . 3.800 2.801 1.992 3.469 . 0 0 "[ . 1 . 2]" 1
156 1 45 ALA H 1 45 ALA MB 2.600 . 3.200 2.244 2.232 2.272 . 0 0 "[ . 1 . 2]" 1
157 1 46 GLU HA 1 46 GLU QG 3.100 . 3.700 2.486 2.328 2.595 . 0 0 "[ . 1 . 2]" 1
158 1 46 GLU H 1 46 GLU QB 2.600 . 3.100 2.200 2.119 2.283 . 0 0 "[ . 1 . 2]" 1
159 1 47 GLN HA 1 47 GLN HG2 3.600 . 4.300 3.016 2.347 3.845 . 0 0 "[ . 1 . 2]" 1
160 1 47 GLN HA 1 47 GLN HG3 3.300 . 4.000 2.864 2.506 3.635 . 0 0 "[ . 1 . 2]" 1
161 1 47 GLN H 1 47 GLN HB2 2.900 . 3.500 2.517 2.229 2.614 . 0 0 "[ . 1 . 2]" 1
162 1 47 GLN H 1 47 GLN HB3 2.900 . 3.500 2.527 2.446 2.714 . 0 0 "[ . 1 . 2]" 1
163 1 47 GLN H 1 47 GLN HG3 3.800 . 4.600 4.477 4.411 4.562 . 0 0 "[ . 1 . 2]" 1
164 1 48 ASN HB3 1 48 ASN HD22 3.700 . 4.400 3.905 3.391 4.064 . 0 0 "[ . 1 . 2]" 1
165 1 48 ASN QB 1 48 ASN HD21 2.900 . 3.500 2.187 2.039 2.248 . 0 0 "[ . 1 . 2]" 1
166 1 48 ASN H 1 48 ASN HB3 3.000 . 3.500 3.349 2.265 3.556 0.056 12 0 "[ . 1 . 2]" 1
167 1 48 ASN H 1 48 ASN HD21 4.400 . 5.300 2.789 2.301 3.754 . 0 0 "[ . 1 . 2]" 1
168 1 49 PHE HA 1 49 PHE QD 4.200 . 5.100 2.861 2.313 3.048 . 0 0 "[ . 1 . 2]" 1
169 1 49 PHE H 1 49 PHE HB2 2.900 . 3.500 2.289 2.195 2.513 . 0 0 "[ . 1 . 2]" 1
170 1 49 PHE H 1 49 PHE HB3 3.200 . 3.700 3.465 2.626 3.595 . 0 0 "[ . 1 . 2]" 1
171 1 49 PHE H 1 49 PHE QD 4.300 . 5.300 2.905 2.512 4.195 . 0 0 "[ . 1 . 2]" 1
172 1 50 ILE HA 1 50 ILE MD 3.300 . 4.100 1.909 1.836 2.030 . 0 0 "[ . 1 . 2]" 1
173 1 50 ILE HB 1 50 ILE MD 3.300 . 4.100 2.426 2.401 2.453 . 0 0 "[ . 1 . 2]" 1
174 1 50 ILE H 1 50 ILE HB 3.000 . 3.600 2.594 2.515 2.765 . 0 0 "[ . 1 . 2]" 1
175 1 50 ILE H 1 50 ILE MG 3.100 . 3.800 2.169 2.064 2.301 . 0 0 "[ . 1 . 2]" 1
176 1 51 ILE HA 1 51 ILE MD 4.000 . 4.900 4.185 4.181 4.190 . 0 0 "[ . 1 . 2]" 1
177 1 51 ILE HA 1 51 ILE MG 3.200 . 3.900 2.326 2.276 2.349 . 0 0 "[ . 1 . 2]" 1
178 1 51 ILE HB 1 51 ILE MD 2.600 . 3.200 2.431 2.419 2.447 . 0 0 "[ . 1 . 2]" 1
179 1 51 ILE H 1 51 ILE MD 3.200 . 3.900 3.647 3.619 3.681 . 0 0 "[ . 1 . 2]" 1
180 1 51 ILE H 1 51 ILE MG 3.000 . 3.700 2.235 2.153 2.323 . 0 0 "[ . 1 . 2]" 1
181 1 52 GLN HA 1 52 GLN HG2 3.300 . 4.000 2.875 2.487 3.776 . 0 0 "[ . 1 . 2]" 1
182 1 52 GLN HA 1 52 GLN HG3 3.300 . 4.000 3.252 2.901 3.816 . 0 0 "[ . 1 . 2]" 1
183 1 52 GLN HB2 1 52 GLN HE21 4.300 . 5.200 3.533 1.754 4.454 0.046 20 0 "[ . 1 . 2]" 1
184 1 52 GLN HB2 1 52 GLN HE22 4.100 . 4.900 4.212 3.385 4.698 . 0 0 "[ . 1 . 2]" 1
185 1 52 GLN HB3 1 52 GLN HE21 4.100 . 4.900 3.679 1.789 4.454 0.011 7 0 "[ . 1 . 2]" 1
186 1 52 GLN HB3 1 52 GLN HE22 3.900 . 4.600 4.299 3.425 4.705 0.105 13 0 "[ . 1 . 2]" 1
187 1 52 GLN HE22 1 52 GLN HG2 3.300 . 4.000 3.755 3.469 4.055 0.055 20 0 "[ . 1 . 2]" 1
188 1 52 GLN HE22 1 52 GLN HG3 3.500 . 4.200 3.677 3.464 4.065 . 0 0 "[ . 1 . 2]" 1
189 1 52 GLN H 1 52 GLN HB2 3.000 . 3.600 2.765 2.379 3.657 0.057 14 0 "[ . 1 . 2]" 1
190 1 52 GLN H 1 52 GLN HB3 3.500 . 4.000 3.403 2.587 3.630 . 0 0 "[ . 1 . 2]" 1
191 1 52 GLN H 1 52 GLN HE21 4.600 . 5.600 4.215 3.471 5.121 . 0 0 "[ . 1 . 2]" 1
192 1 52 GLN H 1 52 GLN HG2 3.100 . 3.700 3.192 1.843 3.734 0.034 9 0 "[ . 1 . 2]" 1
193 1 52 GLN H 1 52 GLN HG3 2.900 . 3.500 2.570 2.195 3.505 0.005 7 0 "[ . 1 . 2]" 1
194 1 53 PHE HA 1 53 PHE QD 3.400 . 4.200 2.656 2.286 2.938 . 0 0 "[ . 1 . 2]" 1
195 1 53 PHE HA 1 53 PHE QE 4.700 . 5.700 4.605 4.450 4.768 . 0 0 "[ . 1 . 2]" 1
196 1 53 PHE H 1 53 PHE HB2 3.100 . 3.700 2.508 2.426 2.722 . 0 0 "[ . 1 . 2]" 1
197 1 53 PHE H 1 53 PHE HB3 3.000 . 3.600 3.646 3.622 3.670 0.070 2 0 "[ . 1 . 2]" 1
198 1 53 PHE H 1 53 PHE QD 3.200 . 3.900 2.790 2.453 3.261 . 0 0 "[ . 1 . 2]" 1
199 1 54 LEU HA 1 54 LEU QD . . 3.900 2.027 1.957 2.089 . 0 0 "[ . 1 . 2]" 1
200 1 54 LEU H 1 54 LEU QB 2.900 . 3.500 2.470 2.444 2.520 . 0 0 "[ . 1 . 2]" 1
201 1 54 LEU H 1 54 LEU QD 3.800 . 4.800 2.989 2.839 3.083 . 0 0 "[ . 1 . 2]" 1
202 1 54 LEU H 1 54 LEU HG 2.900 . 3.500 2.245 2.107 2.367 . 0 0 "[ . 1 . 2]" 1
203 1 55 ASP H 1 55 ASP HB2 3.000 . 3.600 2.608 2.476 2.846 . 0 0 "[ . 1 . 2]" 1
204 1 55 ASP H 1 55 ASP HB3 3.000 . 3.600 2.569 2.306 3.601 0.001 17 0 "[ . 1 . 2]" 1
205 1 56 ARG HA 1 56 ARG QD 4.700 . 5.000 3.911 2.525 4.224 . 0 0 "[ . 1 . 2]" 1
206 1 56 ARG HA 1 56 ARG HG2 4.200 . 5.000 2.539 2.380 3.602 . 0 0 "[ . 1 . 2]" 1
207 1 56 ARG H 1 56 ARG QB 2.800 . 3.400 2.510 2.198 3.370 . 0 0 "[ . 1 . 2]" 1
208 1 56 ARG QB 1 56 ARG QD . . 3.500 2.166 2.083 2.386 . 0 0 "[ . 1 . 2]" 1
209 1 56 ARG QB 1 56 ARG HE 4.200 . 5.000 3.746 1.952 4.181 . 0 0 "[ . 1 . 2]" 1
210 1 56 ARG HE 1 56 ARG HG2 3.600 . 4.300 2.711 2.475 3.101 . 0 0 "[ . 1 . 2]" 1
211 1 56 ARG HE 1 56 ARG HG3 3.500 . 4.200 2.759 2.404 3.727 . 0 0 "[ . 1 . 2]" 1
212 1 56 ARG H 1 56 ARG QD 4.700 . 5.700 3.939 2.209 4.803 . 0 0 "[ . 1 . 2]" 1
213 1 56 ARG H 1 56 ARG HG2 3.400 . 4.100 3.643 3.348 4.494 0.394 19 0 "[ . 1 . 2]" 1
214 1 56 ARG H 1 56 ARG HG3 3.200 . 3.800 2.621 2.142 3.853 0.053 19 0 "[ . 1 . 2]" 1
215 1 57 ARG HA 1 57 ARG HD2 4.800 . 5.900 5.109 3.237 5.518 . 0 0 "[ . 1 . 2]" 1
216 1 57 ARG HA 1 57 ARG HD3 4.900 . 5.800 4.661 4.012 5.111 . 0 0 "[ . 1 . 2]" 1
217 1 57 ARG HA 1 57 ARG HE 4.000 . 4.800 4.533 1.767 4.857 0.057 16 0 "[ . 1 . 2]" 1
218 1 57 ARG HA 1 57 ARG QG 3.300 . 4.000 3.028 2.445 3.471 . 0 0 "[ . 1 . 2]" 1
219 1 57 ARG HB2 1 57 ARG HD3 4.200 . 5.000 2.840 2.559 4.199 . 0 0 "[ . 1 . 2]" 1
220 1 57 ARG HB2 1 57 ARG HE 3.300 . 3.800 3.259 1.838 3.804 0.004 16 0 "[ . 1 . 2]" 1
221 1 57 ARG HB3 1 57 ARG HD3 4.100 . 4.900 3.071 2.664 4.215 . 0 0 "[ . 1 . 2]" 1
222 1 57 ARG HB3 1 57 ARG HE 3.100 . 3.700 2.206 1.755 3.771 0.071 4 0 "[ . 1 . 2]" 1
223 1 57 ARG H 1 57 ARG HB2 3.500 . 4.100 3.607 2.824 3.924 . 0 0 "[ . 1 . 2]" 1
224 1 57 ARG H 1 57 ARG HB3 3.500 . 4.300 2.701 2.103 3.387 . 0 0 "[ . 1 . 2]" 1
225 1 57 ARG H 1 57 ARG HD2 5.100 . 5.900 5.309 2.059 5.989 0.089 13 0 "[ . 1 . 2]" 1
226 1 57 ARG H 1 57 ARG HE 3.900 . 4.600 3.879 3.133 4.515 . 0 0 "[ . 1 . 2]" 1
227 1 58 LEU HA 1 58 LEU QD 2.800 . 3.500 1.882 1.820 1.994 . 0 0 "[ . 1 . 2]" 1
228 1 58 LEU HA 1 58 LEU HG 3.400 . 4.100 3.539 2.763 3.704 . 0 0 "[ . 1 . 2]" 1
229 1 58 LEU H 1 58 LEU QD 3.300 . 4.100 2.292 1.911 2.714 . 0 0 "[ . 1 . 2]" 1
230 1 59 SER H 1 59 SER HB3 3.500 . 4.200 3.550 2.998 3.825 . 0 0 "[ . 1 . 2]" 1
231 1 59 SER H 1 59 SER HB2 3.500 . 4.100 2.986 2.589 3.686 . 0 0 "[ . 1 . 2]" 1
232 1 60 TYR HA 1 60 TYR QD 3.800 . 4.600 3.054 2.932 3.204 . 0 0 "[ . 1 . 2]" 1
233 1 60 TYR HA 1 60 TYR QE 4.300 . 5.300 4.726 4.647 4.811 . 0 0 "[ . 1 . 2]" 1
234 1 60 TYR HB3 1 60 TYR QE 4.700 . 5.600 4.405 4.395 4.419 . 0 0 "[ . 1 . 2]" 1
235 1 60 TYR H 1 60 TYR HB2 3.400 . 4.100 2.527 2.452 2.587 . 0 0 "[ . 1 . 2]" 1
236 1 60 TYR H 1 60 TYR HB3 3.700 . 4.400 3.696 3.648 3.741 . 0 0 "[ . 1 . 2]" 1
237 1 60 TYR H 1 60 TYR QD . . 3.700 2.436 2.183 2.779 . 0 0 "[ . 1 . 2]" 1
238 1 60 TYR H 1 60 TYR QE 4.200 . 4.900 4.545 4.320 4.819 . 0 0 "[ . 1 . 2]" 1
239 1 61 PHE H 1 61 PHE HB2 3.800 . 4.600 2.269 2.122 2.380 . 0 0 "[ . 1 . 2]" 1
240 1 61 PHE H 1 61 PHE HB3 3.500 . 4.200 3.540 3.428 3.594 . 0 0 "[ . 1 . 2]" 1
241 1 62 LEU HA 1 62 LEU QD 3.900 . 4.800 2.138 1.922 3.361 . 0 0 "[ . 1 . 2]" 1
242 1 62 LEU HA 1 62 LEU HG 4.200 . 5.000 3.231 3.053 3.772 . 0 0 "[ . 1 . 2]" 1
243 1 62 LEU H 1 62 LEU HB3 4.000 . 4.800 3.695 3.505 3.766 . 0 0 "[ . 1 . 2]" 1
244 1 62 LEU H 1 62 LEU QD 4.500 . 5.500 3.186 2.027 3.459 . 0 0 "[ . 1 . 2]" 1
245 1 62 LEU H 1 62 LEU HG 3.700 . 4.400 2.891 2.459 4.247 . 0 0 "[ . 1 . 2]" 1
246 1 64 LEU HA 1 64 LEU QD 3.600 . 4.400 2.082 1.814 3.340 . 0 0 "[ . 1 . 2]" 1
247 1 64 LEU H 1 64 LEU HB2 3.900 . 4.700 2.690 2.150 3.910 . 0 0 "[ . 1 . 2]" 1
248 1 64 LEU H 1 64 LEU HB3 3.900 . 4.700 3.089 2.536 3.708 . 0 0 "[ . 1 . 2]" 1
249 1 65 ARG HA 1 65 ARG HD3 4.900 . 5.900 4.934 4.522 5.520 . 0 0 "[ . 1 . 2]" 1
250 1 65 ARG HA 1 65 ARG HG2 4.200 . 5.000 3.111 2.660 3.874 . 0 0 "[ . 1 . 2]" 1
251 1 65 ARG H 1 65 ARG HB3 3.200 . 3.800 2.655 2.359 3.184 . 0 0 "[ . 1 . 2]" 1
252 1 65 ARG H 1 65 ARG HG2 4.500 . 5.400 4.119 2.577 4.505 . 0 0 "[ . 1 . 2]" 1
253 1 66 ASP H 1 66 ASP HB3 3.900 . 4.700 2.797 2.487 3.661 . 0 0 "[ . 1 . 2]" 1
254 1 67 GLU HA 1 67 GLU QG 3.000 . 3.600 2.922 2.322 3.502 . 0 0 "[ . 1 . 2]" 1
255 1 67 GLU H 1 67 GLU QB 2.700 . 3.200 2.697 2.166 3.238 0.038 7 0 "[ . 1 . 2]" 1
256 1 67 GLU HA 1 67 GLU QB 2.500 . 3.000 2.275 2.148 2.497 . 0 0 "[ . 1 . 2]" 1
257 1 67 GLU H 1 67 GLU QG 3.600 . 4.200 3.203 1.899 4.204 0.004 14 0 "[ . 1 . 2]" 1
258 1 67 GLU QB 1 67 GLU QG 1.900 . 2.300 2.038 1.976 2.085 . 0 0 "[ . 1 . 2]" 1
259 1 68 ASN HB2 1 68 ASN HD22 3.900 . 4.700 3.872 3.448 4.083 . 0 0 "[ . 1 . 2]" 1
260 1 68 ASN HB3 1 68 ASN HD21 3.100 . 3.700 2.979 2.244 3.521 . 0 0 "[ . 1 . 2]" 1
261 1 68 ASN HB3 1 68 ASN HD22 3.800 . 4.600 3.816 3.487 4.070 . 0 0 "[ . 1 . 2]" 1
262 1 68 ASN H 1 68 ASN HB2 3.800 . 4.600 3.295 2.429 3.624 . 0 0 "[ . 1 . 2]" 1
263 1 68 ASN H 1 68 ASN HD21 3.800 . 4.600 4.135 3.068 4.735 0.135 8 0 "[ . 1 . 2]" 1
264 1 70 LYS HA 1 70 LYS HG2 3.800 . 4.500 2.747 2.438 3.757 . 0 0 "[ . 1 . 2]" 1
265 1 70 LYS HA 1 70 LYS HG3 3.800 . 4.700 3.228 2.884 3.742 . 0 0 "[ . 1 . 2]" 1
266 1 70 LYS HA 1 70 LYS QD 4.100 . 4.700 4.124 3.877 4.544 . 0 0 "[ . 1 . 2]" 1
267 1 70 LYS QE 1 70 LYS HG3 3.400 . 4.100 2.936 2.286 3.534 . 0 0 "[ . 1 . 2]" 1
268 1 70 LYS H 1 70 LYS HB3 3.500 . 4.100 3.625 2.997 3.816 . 0 0 "[ . 1 . 2]" 1
269 1 70 LYS H 1 70 LYS HG2 3.200 . 3.800 3.478 2.072 3.936 0.136 6 0 "[ . 1 . 2]" 1
270 1 70 LYS H 1 70 LYS HG3 3.100 . 3.700 2.483 1.765 3.064 0.035 11 0 "[ . 1 . 2]" 1
271 1 72 GLN HA 1 72 GLN QG 3.100 . 3.500 3.106 2.474 3.514 0.014 14 0 "[ . 1 . 2]" 1
272 1 72 GLN HB3 1 72 GLN HE22 4.100 . 4.900 4.171 3.383 4.941 0.041 6 0 "[ . 1 . 2]" 1
273 1 72 GLN H 1 72 GLN QG 3.000 . 3.600 2.364 1.806 3.006 . 0 0 "[ . 1 . 2]" 1
274 1 72 GLN HB2 1 72 GLN QG 2.200 . 2.600 2.302 2.144 2.520 . 0 0 "[ . 1 . 2]" 1
275 1 72 GLN HE21 1 72 GLN QG 3.000 . 3.600 2.372 2.152 2.814 . 0 0 "[ . 1 . 2]" 1
276 1 72 GLN HE22 1 72 GLN QG 3.000 . 3.500 3.322 3.211 3.491 . 0 0 "[ . 1 . 2]" 1
277 1 72 GLN H 1 72 GLN HB2 3.300 . 4.100 3.250 2.427 3.928 . 0 0 "[ . 1 . 2]" 1
278 1 72 GLN H 1 72 GLN HB3 3.600 . 4.200 3.345 2.838 3.878 . 0 0 "[ . 1 . 2]" 1
279 1 73 TRP HA 1 73 TRP HD1 4.400 . 5.300 4.048 3.033 4.537 . 0 0 "[ . 1 . 2]" 1
280 1 73 TRP HA 1 73 TRP HE1 4.900 . 5.800 5.378 4.967 5.627 . 0 0 "[ . 1 . 2]" 1
281 1 73 TRP HA 1 73 TRP HE3 4.300 . 5.200 3.230 2.269 4.603 . 0 0 "[ . 1 . 2]" 1
282 1 73 TRP HB2 1 73 TRP HD1 3.500 . 4.200 2.715 2.543 3.217 . 0 0 "[ . 1 . 2]" 1
283 1 73 TRP HB3 1 73 TRP HD1 3.700 . 4.400 3.802 3.607 3.900 . 0 0 "[ . 1 . 2]" 1
284 1 73 TRP H 1 73 TRP HB2 3.600 . 4.300 2.424 2.268 2.617 . 0 0 "[ . 1 . 2]" 1
285 1 73 TRP H 1 73 TRP HB3 3.400 . 4.100 3.585 3.539 3.638 . 0 0 "[ . 1 . 2]" 1
286 1 73 TRP H 1 73 TRP HD1 3.300 . 4.000 2.541 2.012 3.254 . 0 0 "[ . 1 . 2]" 1
287 1 73 TRP H 1 73 TRP HE1 4.300 . 5.200 4.717 4.251 5.062 . 0 0 "[ . 1 . 2]" 1
288 1 74 ARG HA 1 74 ARG HD2 4.100 . 4.800 4.318 1.994 4.778 . 0 0 "[ . 1 . 2]" 1
289 1 74 ARG HA 1 74 ARG HD3 4.100 . 5.000 4.443 2.159 4.976 . 0 0 "[ . 1 . 2]" 1
290 1 74 ARG HB2 1 74 ARG HD2 4.100 . 4.900 2.960 2.334 3.763 . 0 0 "[ . 1 . 2]" 1
291 1 74 ARG HB2 1 74 ARG HD3 3.800 . 4.600 3.271 2.424 4.231 . 0 0 "[ . 1 . 2]" 1
292 1 74 ARG HB3 1 74 ARG HD3 4.200 . 5.000 3.179 2.136 3.922 . 0 0 "[ . 1 . 2]" 1
293 1 74 ARG H 1 74 ARG QG 3.600 . 4.200 3.384 2.151 4.177 . 0 0 "[ . 1 . 2]" 1
294 1 74 ARG H 1 74 ARG HB2 3.600 . 4.300 3.090 2.566 3.957 . 0 0 "[ . 1 . 2]" 1
295 1 75 TRP HA 1 75 TRP HE3 4.200 . 5.000 3.190 2.596 3.824 . 0 0 "[ . 1 . 2]" 1
296 1 75 TRP HB2 1 75 TRP HD1 3.600 . 4.300 2.675 2.558 2.877 . 0 0 "[ . 1 . 2]" 1
297 1 75 TRP HB3 1 75 TRP HD1 3.400 . 4.100 3.807 3.684 3.896 . 0 0 "[ . 1 . 2]" 1
298 1 75 TRP H 1 75 TRP HB2 3.400 . 4.100 2.450 2.361 2.531 . 0 0 "[ . 1 . 2]" 1
299 1 75 TRP H 1 75 TRP HB3 3.200 . 3.800 3.618 3.585 3.642 . 0 0 "[ . 1 . 2]" 1
300 1 75 TRP H 1 75 TRP HD1 3.600 . 4.300 2.567 2.115 3.069 . 0 0 "[ . 1 . 2]" 1
301 1 76 VAL HA 1 76 VAL MG1 3.300 . 4.100 2.953 2.299 3.223 . 0 0 "[ . 1 . 2]" 1
302 1 76 VAL HA 1 76 VAL MG2 3.000 . 3.700 2.458 2.292 3.211 . 0 0 "[ . 1 . 2]" 1
303 1 77 ASP H 1 77 ASP HB2 3.500 . 4.200 3.156 2.441 3.748 . 0 0 "[ . 1 . 2]" 1
304 1 77 ASP H 1 77 ASP HB3 3.300 . 4.000 2.955 2.307 3.623 . 0 0 "[ . 1 . 2]" 1
305 1 78 GLN HA 1 78 GLN QG 3.000 . 3.500 2.815 2.260 3.460 . 0 0 "[ . 1 . 2]" 1
306 1 78 GLN H 1 78 GLN QG 3.800 . 4.400 3.982 2.047 4.532 0.132 14 0 "[ . 1 . 2]" 1
307 1 78 GLN HB2 1 78 GLN QG 2.400 . 2.900 2.270 2.127 2.508 . 0 0 "[ . 1 . 2]" 1
308 1 78 GLN HE22 1 78 GLN QG 3.400 . 4.100 3.305 3.213 3.485 . 0 0 "[ . 1 . 2]" 1
309 1 78 GLN H 1 78 GLN HB2 4.200 . 5.000 3.292 2.498 3.996 . 0 0 "[ . 1 . 2]" 1
310 1 79 THR HA 1 79 THR MG 3.000 . 3.700 2.339 2.263 2.480 . 0 0 "[ . 1 . 2]" 1
311 1 79 THR H 1 79 THR HB 3.000 . 3.600 2.686 2.481 2.873 . 0 0 "[ . 1 . 2]" 1
312 1 79 THR H 1 79 THR MG 4.000 . 4.900 3.752 3.669 3.943 . 0 0 "[ . 1 . 2]" 1
313 1 80 PRO HA 1 80 PRO HD3 4.400 . 5.300 3.850 3.525 3.953 . 0 0 "[ . 1 . 2]" 1
314 1 80 PRO HA 1 80 PRO HG2 3.700 . 4.400 3.999 3.860 4.066 . 0 0 "[ . 1 . 2]" 1
315 1 80 PRO HA 1 80 PRO HG3 3.500 . 4.200 3.250 2.987 4.029 . 0 0 "[ . 1 . 2]" 1
316 1 80 PRO HB3 1 80 PRO HD2 3.900 . 4.700 3.859 3.839 3.885 . 0 0 "[ . 1 . 2]" 1
317 1 80 PRO HB3 1 80 PRO HD3 3.900 . 4.700 3.949 2.961 4.084 . 0 0 "[ . 1 . 2]" 1
318 1 81 PHE HA 1 81 PHE QD 3.800 . 4.700 2.550 2.398 2.690 . 0 0 "[ . 1 . 2]" 1
319 1 81 PHE HA 1 81 PHE QE 4.900 . 6.000 4.546 4.461 4.633 . 0 0 "[ . 1 . 2]" 1
320 1 81 PHE HB2 1 81 PHE QD 3.100 . 3.800 2.544 2.479 2.603 . 0 0 "[ . 1 . 2]" 1
321 1 81 PHE H 1 81 PHE HB2 2.700 . 3.200 2.532 2.418 2.647 . 0 0 "[ . 1 . 2]" 1
322 1 81 PHE H 1 81 PHE QD 4.000 . 4.900 4.178 4.150 4.201 . 0 0 "[ . 1 . 2]" 1
323 1 82 ASN HB2 1 82 ASN HD21 3.400 . 4.100 2.422 2.133 3.431 . 0 0 "[ . 1 . 2]" 1
324 1 82 ASN HB2 1 82 ASN HD22 3.200 . 3.800 3.556 3.427 3.993 0.193 11 0 "[ . 1 . 2]" 1
325 1 82 ASN HB3 1 82 ASN HD22 3.400 . 4.100 3.995 3.453 4.074 . 0 0 "[ . 1 . 2]" 1
326 1 82 ASN H 1 82 ASN HB2 3.500 . 4.200 2.534 2.153 3.458 . 0 0 "[ . 1 . 2]" 1
327 1 82 ASN H 1 82 ASN HB3 3.100 . 3.700 3.324 2.656 3.664 . 0 0 "[ . 1 . 2]" 1
328 1 82 ASN H 1 82 ASN HD21 4.200 . 4.900 3.293 2.341 4.919 0.019 10 0 "[ . 1 . 2]" 1
329 1 83 PRO HA 1 83 PRO HG2 4.100 . 4.900 3.940 3.846 4.044 . 0 0 "[ . 1 . 2]" 1
330 1 83 PRO HA 1 83 PRO HG3 4.100 . 4.900 3.537 3.077 4.037 . 0 0 "[ . 1 . 2]" 1
331 1 83 PRO HB2 1 83 PRO HD2 4.000 . 4.800 3.442 2.941 4.054 . 0 0 "[ . 1 . 2]" 1
332 1 83 PRO HB3 1 83 PRO HD3 4.200 . 5.000 3.583 2.951 4.056 . 0 0 "[ . 1 . 2]" 1
333 1 84 ARG HA 1 84 ARG QD 3.100 . 3.600 3.134 1.850 3.878 0.278 4 0 "[ . 1 . 2]" 1
334 1 84 ARG HA 1 84 ARG QG 2.900 . 3.500 2.539 2.169 3.182 . 0 0 "[ . 1 . 2]" 1
335 1 84 ARG HB2 1 84 ARG QD 2.500 . 2.900 2.561 2.220 3.136 0.236 1 0 "[ . 1 . 2]" 1
336 1 84 ARG HB3 1 84 ARG QD 2.900 . 3.400 2.749 2.105 3.458 0.058 15 0 "[ . 1 . 2]" 1
337 1 84 ARG H 1 84 ARG QG 3.600 . 4.200 3.613 2.607 4.253 0.053 15 0 "[ . 1 . 2]" 1
338 1 84 ARG H 1 84 ARG HB2 3.200 . 3.900 2.634 2.293 2.945 . 0 0 "[ . 1 . 2]" 1
339 1 84 ARG H 1 84 ARG QD 4.200 . 5.000 4.365 3.333 4.942 . 0 0 "[ . 1 . 2]" 1
340 1 85 ARG HA 1 85 ARG HD2 4.200 . 4.900 4.035 1.860 4.696 . 0 0 "[ . 1 . 2]" 1
341 1 85 ARG HA 1 85 ARG HD3 4.100 . 4.900 3.758 1.802 4.788 . 0 0 "[ . 1 . 2]" 1
342 1 85 ARG HB2 1 85 ARG HD3 4.200 . 5.000 3.206 2.455 3.763 . 0 0 "[ . 1 . 2]" 1
343 1 85 ARG H 1 85 ARG HB2 3.100 . 3.700 2.611 2.419 2.992 . 0 0 "[ . 1 . 2]" 1
344 1 85 ARG H 1 85 ARG HB3 3.500 . 4.200 3.635 2.666 3.807 . 0 0 "[ . 1 . 2]" 1
345 1 86 VAL H 1 86 VAL MG1 3.200 . 3.900 2.629 1.912 3.902 0.002 1 0 "[ . 1 . 2]" 1
346 1 86 VAL H 1 86 VAL MG2 4.300 . 5.300 3.502 2.554 3.998 . 0 0 "[ . 1 . 2]" 1
347 1 87 PHE HA 1 87 PHE QD 3.100 . 3.800 2.752 2.382 3.077 . 0 0 "[ . 1 . 2]" 1
348 1 88 TRP HA 1 88 TRP HE3 4.600 . 5.500 2.419 1.980 3.155 . 0 0 "[ . 1 . 2]" 1
349 1 88 TRP HB3 1 88 TRP HD1 3.300 . 4.000 3.631 3.482 3.795 . 0 0 "[ . 1 . 2]" 1
350 1 88 TRP HB3 1 88 TRP HE1 4.500 . 5.400 5.162 5.099 5.243 . 0 0 "[ . 1 . 2]" 1
351 1 88 TRP HB3 1 88 TRP HE3 4.100 . 4.900 2.914 2.585 3.178 . 0 0 "[ . 1 . 2]" 1
352 1 88 TRP H 1 88 TRP HB2 3.500 . 4.200 2.572 2.303 3.504 . 0 0 "[ . 1 . 2]" 1
353 1 88 TRP H 1 88 TRP HB3 3.300 . 4.100 3.683 3.568 4.073 . 0 0 "[ . 1 . 2]" 1
354 1 88 TRP H 1 88 TRP HD1 3.300 . 4.000 3.375 2.297 4.107 0.107 7 0 "[ . 1 . 2]" 1
355 1 89 HIS H 1 89 HIS QB 3.300 . 4.000 2.334 2.199 2.541 . 0 0 "[ . 1 . 2]" 1
356 1 89 HIS QB 1 89 HIS HD2 3.200 . 3.800 2.720 2.618 2.885 . 0 0 "[ . 1 . 2]" 1
357 1 90 LYS HA 1 90 LYS QE 4.600 . 5.500 4.202 1.690 5.601 0.110 16 0 "[ . 1 . 2]" 1
358 1 90 LYS HA 1 90 LYS HG2 3.500 . 4.200 3.180 2.433 3.892 . 0 0 "[ . 1 . 2]" 1
359 1 90 LYS HA 1 90 LYS HG3 3.300 . 4.000 3.412 2.514 4.223 0.223 18 0 "[ . 1 . 2]" 1
360 1 90 LYS HB2 1 90 LYS QE 4.200 . 5.000 3.536 1.945 4.475 . 0 0 "[ . 1 . 2]" 1
361 1 90 LYS HB3 1 90 LYS QE 4.200 . 5.000 3.350 1.827 4.530 . 0 0 "[ . 1 . 2]" 1
362 1 90 LYS QE 1 90 LYS HG2 3.300 . 4.000 2.719 2.300 3.516 . 0 0 "[ . 1 . 2]" 1
363 1 90 LYS H 1 90 LYS HB2 3.400 . 4.200 3.344 2.498 4.120 . 0 0 "[ . 1 . 2]" 1
364 1 90 LYS H 1 90 LYS HB3 3.400 . 4.000 3.342 2.494 4.121 0.121 2 0 "[ . 1 . 2]" 1
365 1 90 LYS H 1 90 LYS HG2 4.300 . 5.200 3.831 2.166 5.229 0.029 4 0 "[ . 1 . 2]" 1
366 1 90 LYS H 1 90 LYS HG3 4.400 . 5.300 4.132 2.535 5.365 0.065 6 0 "[ . 1 . 2]" 1
367 1 91 ASN HB2 1 91 ASN HD21 2.900 . 3.500 2.767 2.175 3.529 0.029 5 0 "[ . 1 . 2]" 1
368 1 91 ASN HB2 1 91 ASN HD22 3.400 . 4.100 3.722 3.440 4.073 . 0 0 "[ . 1 . 2]" 1
369 1 91 ASN HB3 1 91 ASN HD21 3.500 . 4.100 2.926 2.203 3.485 . 0 0 "[ . 1 . 2]" 1
370 1 91 ASN HB3 1 91 ASN HD22 3.300 . 4.000 3.796 3.468 4.056 0.056 11 0 "[ . 1 . 2]" 1
371 1 91 ASN H 1 91 ASN HB2 3.800 . 4.600 3.414 2.604 4.040 . 0 0 "[ . 1 . 2]" 1
372 1 91 ASN H 1 91 ASN HB3 3.500 . 4.200 3.344 2.737 4.122 . 0 0 "[ . 1 . 2]" 1
373 1 92 GLU HA 1 92 GLU QG 2.900 . 3.500 2.777 2.360 3.535 0.035 10 0 "[ . 1 . 2]" 1
374 1 92 GLU H 1 92 GLU HB2 3.400 . 4.100 2.853 2.177 3.759 . 0 0 "[ . 1 . 2]" 1
375 1 92 GLU H 1 92 GLU HB3 3.600 . 4.200 3.378 2.590 3.835 . 0 0 "[ . 1 . 2]" 1
376 1 95 ASN QB 1 95 ASN HD21 3.000 . 3.600 2.388 2.164 2.834 . 0 0 "[ . 1 . 2]" 1
377 1 96 SER H 1 96 SER QB 3.200 . 3.700 2.633 2.203 2.995 . 0 0 "[ . 1 . 2]" 1
378 1 97 GLN HA 1 97 GLN QG 2.900 . 3.500 2.988 2.278 3.496 . 0 0 "[ . 1 . 2]" 1
379 1 97 GLN H 1 97 GLN QG 3.000 . 3.600 2.655 1.854 3.725 0.125 18 0 "[ . 1 . 2]" 1
380 1 97 GLN HE22 1 97 GLN QG 3.500 . 4.200 3.314 3.207 3.502 . 0 0 "[ . 1 . 2]" 1
381 1 97 GLN H 1 97 GLN HB2 3.300 . 4.000 3.163 2.357 3.976 . 0 0 "[ . 1 . 2]" 1
382 1 97 GLN H 1 97 GLN HB3 3.500 . 4.100 3.382 2.704 3.846 . 0 0 "[ . 1 . 2]" 1
383 1 99 GLU H 1 99 GLU HB2 3.300 . 4.100 3.246 2.413 3.982 . 0 0 "[ . 1 . 2]" 1
384 1 99 GLU H 1 99 GLU HB3 3.500 . 4.300 3.627 2.662 4.147 . 0 0 "[ . 1 . 2]" 1
385 1 99 GLU H 1 99 GLU HG2 3.300 . 4.000 3.554 2.119 4.187 0.187 15 0 "[ . 1 . 2]" 1
386 1 99 GLU H 1 99 GLU HG3 3.300 . 4.000 3.232 1.947 4.156 0.156 6 0 "[ . 1 . 2]" 1
387 1 103 VAL HA 1 103 VAL MG2 3.400 . 4.200 3.091 2.162 3.223 . 0 0 "[ . 1 . 2]" 1
388 1 103 VAL H 1 103 VAL MG1 3.300 . 4.100 2.738 1.886 2.971 . 0 0 "[ . 1 . 2]" 1
389 1 103 VAL H 1 103 VAL MG2 4.000 . 4.900 2.419 2.065 3.817 . 0 0 "[ . 1 . 2]" 1
390 1 104 LEU H 1 104 LEU HB2 3.400 . 4.100 2.339 2.153 2.520 . 0 0 "[ . 1 . 2]" 1
391 1 104 LEU H 1 104 LEU HB3 3.300 . 4.000 3.222 2.539 3.595 . 0 0 "[ . 1 . 2]" 1
392 1 105 VAL HA 1 105 VAL MG1 3.400 . 4.200 3.208 3.192 3.215 . 0 0 "[ . 1 . 2]" 1
393 1 105 VAL HA 1 105 VAL MG2 3.200 . 3.900 2.402 2.325 2.488 . 0 0 "[ . 1 . 2]" 1
394 1 105 VAL H 1 105 VAL HB 3.600 . 4.300 3.166 2.926 3.317 . 0 0 "[ . 1 . 2]" 1
395 1 105 VAL H 1 105 VAL MG1 3.300 . 4.100 2.131 2.052 2.292 . 0 0 "[ . 1 . 2]" 1
396 1 106 TYR HA 1 106 TYR QD 3.600 . 4.400 2.847 2.641 3.179 . 0 0 "[ . 1 . 2]" 1
397 1 106 TYR HB2 1 106 TYR QE 4.400 . 5.400 4.411 4.365 4.437 . 0 0 "[ . 1 . 2]" 1
398 1 106 TYR HB3 1 106 TYR QE 4.100 . 5.000 4.410 4.386 4.472 . 0 0 "[ . 1 . 2]" 1
399 1 106 TYR H 1 106 TYR HB2 3.700 . 4.400 2.573 2.401 2.805 . 0 0 "[ . 1 . 2]" 1
400 1 106 TYR H 1 106 TYR HB3 3.800 . 4.600 2.547 2.345 2.741 . 0 0 "[ . 1 . 2]" 1
401 1 106 TYR H 1 106 TYR QD 4.900 . 6.000 4.202 4.135 4.259 . 0 0 "[ . 1 . 2]" 1
402 1 107 ASN HA 1 107 ASN HD21 4.700 . 5.600 3.498 1.842 4.532 . 0 0 "[ . 1 . 2]" 1
403 1 107 ASN HA 1 107 ASN HD22 4.900 . 5.900 4.215 3.477 4.808 . 0 0 "[ . 1 . 2]" 1
404 1 107 ASN HB2 1 107 ASN HD21 2.900 . 3.500 2.570 2.229 3.499 . 0 0 "[ . 1 . 2]" 1
405 1 107 ASN HB2 1 107 ASN HD22 3.300 . 4.000 3.626 3.478 4.048 0.048 14 0 "[ . 1 . 2]" 1
406 1 107 ASN HB3 1 107 ASN HD21 3.500 . 4.200 2.931 2.221 3.481 . 0 0 "[ . 1 . 2]" 1
407 1 107 ASN HB3 1 107 ASN HD22 3.500 . 4.100 3.798 3.476 4.056 . 0 0 "[ . 1 . 2]" 1
408 1 107 ASN H 1 107 ASN HB2 3.900 . 4.700 3.258 2.717 3.505 . 0 0 "[ . 1 . 2]" 1
409 1 108 GLN HA 1 108 GLN QG 2.400 . 2.900 2.446 2.301 2.553 . 0 0 "[ . 1 . 2]" 1
410 1 108 GLN H 1 108 GLN QG 2.700 . 3.200 2.835 2.554 3.002 . 0 0 "[ . 1 . 2]" 1
411 1 108 GLN H 1 108 GLN HB2 3.400 . 4.100 3.589 3.480 3.694 . 0 0 "[ . 1 . 2]" 1
412 1 108 GLN H 1 108 GLN HB3 3.700 . 4.400 4.085 4.017 4.122 . 0 0 "[ . 1 . 2]" 1
413 1 109 ASP H 1 109 ASP HB2 3.400 . 4.100 3.350 3.092 4.006 . 0 0 "[ . 1 . 2]" 1
414 1 109 ASP H 1 109 ASP HB3 3.400 . 4.100 3.771 3.026 4.108 0.008 14 0 "[ . 1 . 2]" 1
415 1 110 LYS HA 1 110 LYS HG2 4.000 . 4.800 3.761 3.593 3.870 . 0 0 "[ . 1 . 2]" 1
416 1 110 LYS HA 1 110 LYS HG3 3.800 . 4.600 3.760 3.602 4.237 . 0 0 "[ . 1 . 2]" 1
417 1 110 LYS HB2 1 110 LYS QE 4.200 . 5.000 3.211 1.836 4.235 . 0 0 "[ . 1 . 2]" 1
418 1 110 LYS HB3 1 110 LYS QE 4.600 . 5.500 3.419 1.758 4.244 0.042 19 0 "[ . 1 . 2]" 1
419 1 110 LYS H 1 110 LYS QD 3.800 . 4.600 4.096 2.144 4.508 . 0 0 "[ . 1 . 2]" 1
420 1 110 LYS H 1 110 LYS HB2 3.700 . 4.400 3.832 3.658 3.931 . 0 0 "[ . 1 . 2]" 1
421 1 110 LYS H 1 110 LYS HB3 3.600 . 4.300 3.117 2.549 3.575 . 0 0 "[ . 1 . 2]" 1
422 1 110 LYS H 1 110 LYS HG2 4.100 . 4.900 2.423 1.840 2.750 . 0 0 "[ . 1 . 2]" 1
423 1 110 LYS H 1 110 LYS HG3 3.300 . 4.000 3.332 2.922 4.099 0.099 19 0 "[ . 1 . 2]" 1
424 1 111 TRP HA 1 111 TRP HE3 3.600 . 4.300 3.123 2.797 3.633 . 0 0 "[ . 1 . 2]" 1
425 1 111 TRP HB3 1 111 TRP HD1 3.600 . 4.300 3.796 3.727 3.879 . 0 0 "[ . 1 . 2]" 1
426 1 111 TRP HB3 1 111 TRP HE1 4.500 . 5.400 5.222 5.192 5.260 . 0 0 "[ . 1 . 2]" 1
427 1 111 TRP H 1 111 TRP HB2 3.000 . 3.600 2.345 2.295 2.429 . 0 0 "[ . 1 . 2]" 1
428 1 111 TRP H 1 111 TRP HB3 3.400 . 4.000 3.579 3.560 3.619 . 0 0 "[ . 1 . 2]" 1
429 1 111 TRP H 1 111 TRP HD1 3.100 . 3.700 2.792 2.294 3.206 . 0 0 "[ . 1 . 2]" 1
430 1 111 TRP H 1 111 TRP HE1 4.900 . 5.900 5.054 4.693 5.396 . 0 0 "[ . 1 . 2]" 1
431 1 113 TRP HA 1 113 TRP HD1 3.500 . 4.200 2.526 2.227 3.066 . 0 0 "[ . 1 . 2]" 1
432 1 113 TRP H 1 113 TRP QB 3.300 . 4.000 2.462 2.287 2.589 . 0 0 "[ . 1 . 2]" 1
433 1 113 TRP H 1 113 TRP HD1 3.500 . 4.200 2.808 2.024 3.597 . 0 0 "[ . 1 . 2]" 1
434 1 114 ASN HB2 1 114 ASN HD22 3.600 . 4.300 3.951 3.693 4.062 . 0 0 "[ . 1 . 2]" 1
435 1 114 ASN HB3 1 114 ASN HD22 3.800 . 4.600 3.701 3.482 4.091 . 0 0 "[ . 1 . 2]" 1
436 1 114 ASN H 1 114 ASN HB2 3.400 . 4.100 3.007 2.388 3.859 . 0 0 "[ . 1 . 2]" 1
437 1 114 ASN H 1 114 ASN HB3 3.600 . 4.300 2.824 2.509 3.550 . 0 0 "[ . 1 . 2]" 1
438 1 115 ASP H 1 115 ASP HB3 3.200 . 3.800 2.828 2.327 3.600 . 0 0 "[ . 1 . 2]" 1
439 1 116 VAL H 1 116 VAL QG 3.500 . 4.300 2.335 2.108 2.959 . 0 0 "[ . 1 . 2]" 1
440 1 117 PRO HA 1 117 PRO HD2 4.500 . 5.400 4.046 3.943 4.092 . 0 0 "[ . 1 . 2]" 1
441 1 117 PRO HA 1 117 PRO HD3 4.400 . 5.300 3.386 3.145 3.708 . 0 0 "[ . 1 . 2]" 1
442 1 119 ASN HB2 1 119 ASN HD21 3.500 . 4.100 2.854 2.181 3.563 . 0 0 "[ . 1 . 2]" 1
443 1 119 ASN HB2 1 119 ASN HD22 3.400 . 4.100 3.764 3.453 4.093 . 0 0 "[ . 1 . 2]" 1
444 1 119 ASN HB3 1 119 ASN HD21 3.200 . 3.800 2.889 2.144 3.549 . 0 0 "[ . 1 . 2]" 1
445 1 119 ASN HB3 1 119 ASN HD22 3.500 . 4.200 3.781 3.440 4.080 . 0 0 "[ . 1 . 2]" 1
446 1 119 ASN H 1 119 ASN HB3 3.400 . 4.200 3.136 2.432 3.661 . 0 0 "[ . 1 . 2]" 1
447 1 120 PHE HA 1 120 PHE QD 3.400 . 4.200 2.708 2.499 3.668 . 0 0 "[ . 1 . 2]" 1
448 1 120 PHE HB2 1 120 PHE QE 4.200 . 5.100 4.437 4.372 4.453 . 0 0 "[ . 1 . 2]" 1
449 1 120 PHE HB3 1 120 PHE QE 4.000 . 4.900 4.379 4.365 4.437 . 0 0 "[ . 1 . 2]" 1
450 1 120 PHE H 1 120 PHE HB2 2.800 . 3.400 3.018 2.685 3.485 0.085 17 0 "[ . 1 . 2]" 1
451 1 120 PHE H 1 120 PHE HB3 2.800 . 3.400 2.497 2.073 2.885 . 0 0 "[ . 1 . 2]" 1
452 1 120 PHE H 1 120 PHE QD 5.300 . 6.500 4.111 2.559 4.384 . 0 0 "[ . 1 . 2]" 1
453 1 121 GLU HA 1 121 GLU HG2 3.900 . 4.700 3.343 2.296 4.217 . 0 0 "[ . 1 . 2]" 1
454 1 121 GLU HA 1 121 GLU HG3 3.600 . 4.300 3.169 2.403 3.832 . 0 0 "[ . 1 . 2]" 1
455 1 121 GLU H 1 121 GLU HB2 3.100 . 3.700 2.762 2.301 3.728 0.028 19 0 "[ . 1 . 2]" 1
456 1 121 GLU H 1 121 GLU HG2 3.700 . 4.300 3.155 1.968 3.985 . 0 0 "[ . 1 . 2]" 1
457 1 121 GLU H 1 121 GLU HG3 3.100 . 3.700 3.159 1.880 3.755 0.055 9 0 "[ . 1 . 2]" 1
458 1 123 SER H 1 123 SER HB3 3.100 . 3.700 3.488 2.636 3.641 . 0 0 "[ . 1 . 2]" 1
459 1 125 ILE HB 1 125 ILE MD 3.100 . 3.800 2.471 2.351 3.226 . 0 0 "[ . 1 . 2]" 1
460 1 125 ILE H 1 125 ILE HB 3.000 . 3.600 2.780 2.606 2.899 . 0 0 "[ . 1 . 2]" 1
461 1 125 ILE H 1 125 ILE MD 4.200 . 5.100 3.944 3.562 4.198 . 0 0 "[ . 1 . 2]" 1
462 1 125 ILE H 1 125 ILE HG13 4.500 . 5.400 2.849 2.537 3.990 . 0 0 "[ . 1 . 2]" 1
463 1 126 CYS H 1 126 CYS HB2 3.300 . 4.000 2.605 2.377 2.774 . 0 0 "[ . 1 . 2]" 1
464 1 127 LYS H 1 127 LYS HB2 3.500 . 4.300 3.313 2.955 3.842 . 0 0 "[ . 1 . 2]" 1
465 1 127 LYS H 1 127 LYS HB3 3.600 . 4.300 2.630 2.363 3.023 . 0 0 "[ . 1 . 2]" 1
466 1 128 ILE HA 1 128 ILE MD 4.300 . 5.300 3.708 2.084 3.854 . 0 0 "[ . 1 . 2]" 1
467 1 128 ILE HA 1 128 ILE HG13 3.700 . 4.400 2.615 2.368 3.561 . 0 0 "[ . 1 . 2]" 1
468 1 128 ILE HB 1 128 ILE MD 3.400 . 4.200 2.482 2.383 3.231 . 0 0 "[ . 1 . 2]" 1
469 1 128 ILE H 1 128 ILE HB 3.600 . 4.300 2.915 2.370 3.218 . 0 0 "[ . 1 . 2]" 1
470 1 128 ILE H 1 128 ILE MD 4.900 . 6.000 4.556 3.947 4.790 . 0 0 "[ . 1 . 2]" 1
471 1 128 ILE H 1 128 ILE HG12 4.200 . 5.000 4.396 3.853 4.645 . 0 0 "[ . 1 . 2]" 1
472 1 128 ILE H 1 128 ILE MG 3.600 . 4.400 2.572 2.071 3.818 . 0 0 "[ . 1 . 2]" 1
473 1 129 PRO HA 1 129 PRO HD2 4.700 . 5.600 3.999 3.911 4.101 . 0 0 "[ . 1 . 2]" 1
474 1 129 PRO HA 1 129 PRO HG2 3.700 . 4.400 3.949 3.863 4.052 . 0 0 "[ . 1 . 2]" 1
475 1 129 PRO HA 1 129 PRO HG3 4.200 . 5.000 3.540 3.028 4.039 . 0 0 "[ . 1 . 2]" 1
476 1 129 PRO HB2 1 129 PRO HD2 4.200 . 5.000 3.464 2.916 4.055 . 0 0 "[ . 1 . 2]" 1
477 1 131 THR HA 1 131 THR MG 3.000 . 3.600 2.783 2.187 3.220 . 0 0 "[ . 1 . 2]" 1
478 1 131 THR H 1 131 THR MG 3.100 . 3.800 2.255 1.792 2.826 0.008 13 0 "[ . 1 . 2]" 1
479 1 132 THR HA 1 132 THR MG 2.700 . 3.300 2.600 2.160 3.221 . 0 0 "[ . 1 . 2]" 1
480 1 132 THR H 1 132 THR HB 3.300 . 3.800 2.846 2.437 3.591 . 0 0 "[ . 1 . 2]" 1
481 1 132 THR H 1 132 THR MG 3.300 . 4.100 2.905 1.891 3.749 . 0 0 "[ . 1 . 2]" 1
482 1 133 LEU HA 1 133 LEU QD 3.600 . 3.800 2.447 1.875 3.360 . 0 0 "[ . 1 . 2]" 1
483 1 133 LEU H 1 133 LEU HB2 3.300 . 3.800 2.575 2.272 3.628 . 0 0 "[ . 1 . 2]" 1
484 1 134 ASN HA 1 134 ASN QB 2.400 . 2.800 2.373 2.323 2.457 . 0 0 "[ . 1 . 2]" 1
485 1 134 ASN QB 1 134 ASN HD21 2.800 . 3.300 2.400 2.144 2.825 . 0 0 "[ . 1 . 2]" 1
486 1 134 ASN QB 1 134 ASN HD22 2.800 . 3.400 3.331 3.204 3.483 0.083 2 0 "[ . 1 . 2]" 1
487 1 134 ASN H 1 134 ASN HB3 3.200 . 3.600 2.915 2.407 3.635 0.035 8 0 "[ . 1 . 2]" 1
488 1 135 ALA H 1 135 ALA MB 2.500 . 3.100 2.283 2.259 2.309 . 0 0 "[ . 1 . 2]" 1
489 1 136 GLU H 1 136 GLU QB 3.000 . 3.400 2.688 2.374 2.940 . 0 0 "[ . 1 . 2]" 1
490 1 136 GLU H 1 136 GLU QG 2.500 . 3.000 2.038 1.717 3.172 0.172 2 0 "[ . 1 . 2]" 1
491 1 137 ASN H 1 137 ASN QB 2.500 . 2.900 2.366 2.162 2.646 . 0 0 "[ . 1 . 2]" 1
492 1 137 ASN HA 1 137 ASN QB 2.300 . 2.700 2.339 2.178 2.502 . 0 0 "[ . 1 . 2]" 1
493 1 137 ASN QB 1 137 ASN HD21 2.800 . 3.400 2.233 2.119 2.794 . 0 0 "[ . 1 . 2]" 1
494 1 137 ASN QB 1 137 ASN HD22 2.900 . 3.400 3.278 3.209 3.474 0.074 15 0 "[ . 1 . 2]" 1
495 1 137 ASN H 1 137 ASN HD21 4.200 . 5.000 3.399 2.024 4.718 . 0 0 "[ . 1 . 2]" 1
496 1 138 LEU HA 1 138 LEU QD 2.600 . 3.200 2.285 1.838 2.952 . 0 0 "[ . 1 . 2]" 1
497 1 138 LEU H 1 138 LEU QD 4.200 . 5.200 3.582 2.030 3.773 . 0 0 "[ . 1 . 2]" 1
498 1 138 LEU H 1 138 LEU HB2 2.700 . 3.200 2.298 2.192 2.421 . 0 0 "[ . 1 . 2]" 1
499 1 138 LEU H 1 138 LEU HB3 2.800 . 3.300 2.805 2.586 3.526 0.226 19 0 "[ . 1 . 2]" 1
500 1 139 TYR HA 1 139 TYR QD 2.700 . 3.300 2.738 2.533 2.919 . 0 0 "[ . 1 . 2]" 1
501 1 139 TYR HA 1 139 TYR QE 4.500 . 5.500 4.569 4.387 4.638 . 0 0 "[ . 1 . 2]" 1
502 1 139 TYR H 1 139 TYR QB 2.000 . 2.400 2.248 2.069 2.296 . 0 0 "[ . 1 . 2]" 1
503 1 139 TYR HA 1 139 TYR QB 2.600 . 3.100 2.397 2.345 2.537 . 0 0 "[ . 1 . 2]" 1
504 1 139 TYR QB 1 139 TYR QD . . 2.900 2.138 2.125 2.142 . 0 0 "[ . 1 . 2]" 1
505 1 139 TYR QB 1 139 TYR QE 3.400 . 4.200 3.937 3.929 3.942 . 0 0 "[ . 1 . 2]" 1
506 1 139 TYR H 1 139 TYR QD 3.600 . 4.400 4.161 3.497 4.229 . 0 0 "[ . 1 . 2]" 1
507 1 140 PHE HA 1 140 PHE QD 3.300 . 4.100 2.683 2.580 2.813 . 0 0 "[ . 1 . 2]" 1
508 1 140 PHE HA 1 140 PHE QE 3.800 . 4.700 4.586 4.532 4.651 . 0 0 "[ . 1 . 2]" 1
509 1 140 PHE HB2 1 140 PHE QD 3.100 . 3.800 2.489 2.437 2.537 . 0 0 "[ . 1 . 2]" 1
510 1 140 PHE HB3 1 140 PHE QD 3.100 . 3.800 2.309 2.281 2.342 . 0 0 "[ . 1 . 2]" 1
511 1 140 PHE H 1 140 PHE HB2 2.500 . 3.000 2.544 2.454 2.648 . 0 0 "[ . 1 . 2]" 1
512 1 140 PHE H 1 140 PHE HB3 2.300 . 2.800 2.526 2.443 2.600 . 0 0 "[ . 1 . 2]" 1
513 1 140 PHE H 1 140 PHE QD 3.900 . 4.800 4.187 4.173 4.202 . 0 0 "[ . 1 . 2]" 1
514 1 141 GLN HA 1 141 GLN QG 2.400 . 2.900 2.642 2.370 3.006 0.106 5 0 "[ . 1 . 2]" 1
515 1 141 GLN H 1 141 GLN QG 2.800 . 3.400 2.508 2.233 3.552 0.152 12 0 "[ . 1 . 2]" 1
516 1 141 GLN HE22 1 141 GLN QG 3.100 . 3.700 3.353 3.206 3.486 . 0 0 "[ . 1 . 2]" 1
517 1 141 GLN H 1 141 GLN HB2 3.200 . 3.800 2.413 2.164 2.544 . 0 0 "[ . 1 . 2]" 1
518 1 142 SER H 1 142 SER HB2 3.000 . 3.600 2.842 2.391 3.620 0.020 1 0 "[ . 1 . 2]" 1
519 1 142 SER H 1 142 SER HB3 2.900 . 3.500 2.706 2.364 3.596 0.096 19 0 "[ . 1 . 2]" 1
520 1 2 VAL HA 1 3 CYS H 2.500 . 3.000 2.207 2.073 2.513 . 0 0 "[ . 1 . 2]" 1
521 1 2 VAL HB 1 3 CYS H 3.900 . 4.600 3.757 2.286 4.353 . 0 0 "[ . 1 . 2]" 1
522 1 2 VAL MG1 1 3 CYS HA 5.100 . 6.200 4.204 3.186 5.511 . 0 0 "[ . 1 . 2]" 1
523 1 2 VAL QG 1 3 CYS H 4.000 . 5.000 2.822 1.940 3.566 . 0 0 "[ . 1 . 2]" 1
524 1 3 CYS HA 1 4 PRO HD2 3.600 . 4.300 2.800 1.855 3.128 . 0 0 "[ . 1 . 2]" 1
525 1 3 CYS HA 1 4 PRO HD3 3.300 . 4.000 2.232 1.804 2.814 . 0 0 "[ . 1 . 2]" 1
526 1 3 CYS HB2 1 4 PRO HD3 4.800 . 5.800 4.282 2.901 5.044 . 0 0 "[ . 1 . 2]" 1
527 1 3 CYS HB3 1 4 PRO HD2 5.100 . 6.100 2.668 1.705 4.431 0.095 4 0 "[ . 1 . 2]" 1
528 1 3 CYS HB3 1 4 PRO HD3 4.700 . 5.600 3.466 2.750 4.794 . 0 0 "[ . 1 . 2]" 1
529 1 5 ILE HA 1 6 ASP H 3.000 . 3.500 3.012 2.051 3.522 0.022 1 0 "[ . 1 . 2]" 1
530 1 5 ILE HB 1 6 ASP H 3.900 . 4.700 3.729 1.762 4.430 0.038 14 0 "[ . 1 . 2]" 1
531 1 5 ILE HG12 1 6 ASP H 4.400 . 5.300 4.393 2.927 5.314 0.014 5 0 "[ . 1 . 2]" 1
532 1 5 ILE HG13 1 6 ASP H 4.300 . 5.200 4.013 2.302 5.073 . 0 0 "[ . 1 . 2]" 1
533 1 6 ASP HA 1 7 TRP H 3.200 . 3.800 3.394 2.367 3.563 . 0 0 "[ . 1 . 2]" 1
534 1 6 ASP H 1 7 TRP H 3.000 . 3.600 2.565 2.048 3.706 0.106 19 0 "[ . 1 . 2]" 1
535 1 7 TRP HB2 1 8 ARG H 4.000 . 4.700 4.137 3.680 4.479 . 0 0 "[ . 1 . 2]" 1
536 1 7 TRP HB3 1 8 ARG H 3.800 . 4.600 3.105 2.413 3.719 . 0 0 "[ . 1 . 2]" 1
537 1 7 TRP HE3 1 8 ARG H 4.700 . 5.600 4.458 3.950 5.058 . 0 0 "[ . 1 . 2]" 1
538 1 8 ARG HA 1 9 ALA MB 4.400 . 5.400 3.996 3.915 4.051 . 0 0 "[ . 1 . 2]" 1
539 1 8 ARG HB3 1 9 ALA H 3.700 . 4.300 3.895 3.069 4.405 0.105 18 0 "[ . 1 . 2]" 1
540 1 8 ARG HD2 1 9 ALA H 3.900 . 4.700 4.009 2.736 4.776 0.076 11 0 "[ . 1 . 2]" 1
541 1 8 ARG HD3 1 9 ALA H 4.300 . 5.200 4.086 2.612 5.310 0.110 10 0 "[ . 1 . 2]" 1
542 1 8 ARG H 1 9 ALA H 4.400 . 5.300 4.335 4.194 4.498 . 0 0 "[ . 1 . 2]" 1
543 1 9 ALA HA 1 10 PHE H 2.400 . 2.900 2.132 2.103 2.157 . 0 0 "[ . 1 . 2]" 1
544 1 9 ALA MB 1 10 PHE H 3.100 . 3.800 3.098 2.907 3.212 . 0 0 "[ . 1 . 2]" 1
545 1 9 ALA MB 1 10 PHE HA 4.200 . 5.100 4.022 3.953 4.098 . 0 0 "[ . 1 . 2]" 1
546 1 9 ALA H 1 10 PHE H 4.000 . 4.800 4.470 4.359 4.549 . 0 0 "[ . 1 . 2]" 1
547 1 10 PHE HA 1 11 GLN H 2.400 . 2.900 2.135 2.104 2.177 . 0 0 "[ . 1 . 2]" 1
548 1 10 PHE HB2 1 11 GLN H 3.900 . 4.700 4.377 4.109 4.508 . 0 0 "[ . 1 . 2]" 1
549 1 10 PHE HB3 1 11 GLN H 4.300 . 5.200 4.338 4.124 4.434 . 0 0 "[ . 1 . 2]" 1
550 1 10 PHE QD 1 11 GLN H 3.800 . 4.700 3.765 3.241 4.099 . 0 0 "[ . 1 . 2]" 1
551 1 10 PHE HE2 1 11 GLN HG2 4.400 . 5.500 5.024 3.852 5.524 0.024 12 0 "[ . 1 . 2]" 1
552 1 10 PHE HE2 1 11 GLN HG3 4.600 . 5.700 3.620 2.785 4.077 . 0 0 "[ . 1 . 2]" 1
553 1 10 PHE H 1 11 GLN H 4.200 . 5.000 4.023 3.828 4.310 . 0 0 "[ . 1 . 2]" 1
554 1 11 GLN HA 1 12 SER H 3.100 . 3.700 3.505 3.215 3.582 . 0 0 "[ . 1 . 2]" 1
555 1 11 GLN HB2 1 12 SER H 2.800 . 3.400 1.966 1.787 2.200 0.013 4 0 "[ . 1 . 2]" 1
556 1 11 GLN HB3 1 12 SER H 2.900 . 3.500 2.665 1.758 3.274 0.042 17 0 "[ . 1 . 2]" 1
557 1 11 GLN HG2 1 12 SER H 4.400 . 5.300 4.562 4.130 4.802 . 0 0 "[ . 1 . 2]" 1
558 1 11 GLN H 1 12 SER H 3.800 . 4.500 4.072 3.672 4.556 0.056 17 0 "[ . 1 . 2]" 1
559 1 12 SER HA 1 13 ASN H 3.000 . 3.600 3.277 2.905 3.521 . 0 0 "[ . 1 . 2]" 1
560 1 13 ASN HA 1 14 CYS H 2.800 . 3.400 2.385 2.254 2.497 . 0 0 "[ . 1 . 2]" 1
561 1 13 ASN HB2 1 14 CYS H 3.100 . 3.700 3.517 2.297 3.773 0.073 19 0 "[ . 1 . 2]" 1
562 1 13 ASN HB3 1 14 CYS H 3.000 . 3.600 2.500 2.171 3.636 0.036 8 0 "[ . 1 . 2]" 1
563 1 13 ASN H 1 14 CYS H 3.900 . 4.800 4.493 4.413 4.584 . 0 0 "[ . 1 . 2]" 1
564 1 14 CYS HA 1 15 TYR H 2.700 . 3.200 2.185 2.146 2.226 . 0 0 "[ . 1 . 2]" 1
565 1 14 CYS HA 1 15 TYR QD 3.300 . 4.000 3.173 2.643 3.572 . 0 0 "[ . 1 . 2]" 1
566 1 14 CYS HA 1 15 TYR QE 4.200 . 5.200 4.175 3.757 4.561 . 0 0 "[ . 1 . 2]" 1
567 1 14 CYS HB2 1 15 TYR H 3.600 . 4.300 4.118 3.949 4.260 . 0 0 "[ . 1 . 2]" 1
568 1 15 TYR HA 1 16 PHE H 2.600 . 3.100 2.181 2.126 2.231 . 0 0 "[ . 1 . 2]" 1
569 1 15 TYR HA 1 16 PHE HB2 5.200 . 6.200 4.490 4.335 4.657 . 0 0 "[ . 1 . 2]" 1
570 1 15 TYR HA 1 16 PHE HB3 5.400 . 6.500 4.714 4.626 4.932 . 0 0 "[ . 1 . 2]" 1
571 1 15 TYR HB2 1 16 PHE H 3.800 . 4.600 4.063 3.826 4.262 . 0 0 "[ . 1 . 2]" 1
572 1 15 TYR HB3 1 16 PHE H 3.500 . 4.200 3.237 2.929 3.574 . 0 0 "[ . 1 . 2]" 1
573 1 15 TYR QD 1 16 PHE H 4.000 . 5.000 4.425 3.842 4.676 . 0 0 "[ . 1 . 2]" 1
574 1 15 TYR H 1 16 PHE H 4.600 . 5.500 4.376 4.244 4.466 . 0 0 "[ . 1 . 2]" 1
575 1 16 PHE HA 1 17 PRO HD2 3.400 . 4.100 2.551 2.251 2.705 . 0 0 "[ . 1 . 2]" 1
576 1 16 PHE HA 1 17 PRO HD3 3.200 . 3.800 1.876 1.773 2.101 0.027 7 0 "[ . 1 . 2]" 1
577 1 16 PHE HA 1 17 PRO HG2 4.300 . 5.200 4.386 4.356 4.425 . 0 0 "[ . 1 . 2]" 1
578 1 16 PHE HD1 1 17 PRO HD2 3.900 . 4.900 3.078 2.365 3.778 . 0 0 "[ . 1 . 2]" 1
579 1 16 PHE HD1 1 17 PRO HD3 3.900 . 4.900 3.517 2.696 3.966 . 0 0 "[ . 1 . 2]" 1
580 1 17 PRO HA 1 18 LEU H 2.600 . 3.100 2.170 2.150 2.196 . 0 0 "[ . 1 . 2]" 1
581 1 17 PRO HB2 1 18 LEU H 3.600 . 4.300 3.656 3.345 3.869 . 0 0 "[ . 1 . 2]" 1
582 1 17 PRO HB3 1 18 LEU H 3.700 . 4.400 3.948 3.661 4.152 . 0 0 "[ . 1 . 2]" 1
583 1 17 PRO HG2 1 18 LEU H 4.800 . 5.800 5.365 4.902 5.661 . 0 0 "[ . 1 . 2]" 1
584 1 18 LEU HA 1 19 THR H 2.500 . 3.000 2.203 2.150 2.329 . 0 0 "[ . 1 . 2]" 1
585 1 18 LEU HA 1 19 THR MG 5.100 . 6.200 3.741 3.182 4.060 . 0 0 "[ . 1 . 2]" 1
586 1 18 LEU HB3 1 19 THR H 3.400 . 4.100 3.096 2.596 3.871 . 0 0 "[ . 1 . 2]" 1
587 1 18 LEU QD 1 19 THR H 4.500 . 5.000 3.931 3.108 4.206 . 0 0 "[ . 1 . 2]" 1
588 1 18 LEU QD 1 19 THR MG 5.300 . 6.600 5.087 4.546 5.407 . 0 0 "[ . 1 . 2]" 1
589 1 18 LEU HG 1 19 THR H 4.000 . 4.900 4.511 4.230 4.999 0.099 9 0 "[ . 1 . 2]" 1
590 1 18 LEU H 1 19 THR H 4.200 . 4.900 4.434 4.358 4.531 . 0 0 "[ . 1 . 2]" 1
591 1 18 LEU H 1 19 THR MG 5.100 . 6.200 4.825 4.308 5.217 . 0 0 "[ . 1 . 2]" 1
592 1 19 THR HA 1 20 ASP H 3.100 . 3.700 3.090 2.514 3.289 . 0 0 "[ . 1 . 2]" 1
593 1 19 THR HB 1 20 ASP H 4.000 . 4.900 4.265 4.074 4.436 . 0 0 "[ . 1 . 2]" 1
594 1 19 THR MG 1 20 ASP H 3.900 . 4.800 4.307 4.197 4.385 . 0 0 "[ . 1 . 2]" 1
595 1 19 THR H 1 20 ASP H 2.600 . 3.100 2.513 2.179 3.359 0.259 20 0 "[ . 1 . 2]" 1
596 1 20 ASP HA 1 21 ASN H 2.600 . 3.100 2.332 2.123 3.375 0.275 5 0 "[ . 1 . 2]" 1
597 1 20 ASP HB2 1 21 ASN H 3.300 . 3.800 3.386 2.293 3.936 0.136 19 0 "[ . 1 . 2]" 1
598 1 20 ASP HB3 1 21 ASN H 4.000 . 5.000 3.849 2.458 4.318 . 0 0 "[ . 1 . 2]" 1
599 1 20 ASP H 1 21 ASN H 4.200 . 5.100 4.447 2.303 4.637 . 0 0 "[ . 1 . 2]" 1
600 1 21 ASN HA 1 22 LYS H 2.900 . 3.500 2.216 2.070 3.126 . 0 0 "[ . 1 . 2]" 1
601 1 21 ASN HB3 1 22 LYS H 3.800 . 4.600 3.884 2.900 4.435 . 0 0 "[ . 1 . 2]" 1
602 1 22 LYS HA 1 23 THR H 3.200 . 3.800 2.249 2.134 2.351 . 0 0 "[ . 1 . 2]" 1
603 1 22 LYS HB2 1 23 THR H 3.400 . 4.000 4.022 3.826 4.162 0.162 14 0 "[ . 1 . 2]" 1
604 1 22 LYS HB3 1 23 THR HA 4.400 . 5.300 4.702 4.374 4.952 . 0 0 "[ . 1 . 2]" 1
605 1 23 THR HA 1 24 TRP H 2.900 . 3.500 2.496 2.399 2.589 . 0 0 "[ . 1 . 2]" 1
606 1 23 THR HB 1 24 TRP H 2.900 . 3.500 2.354 2.080 2.887 . 0 0 "[ . 1 . 2]" 1
607 1 23 THR MG 1 24 TRP H 3.800 . 4.700 3.607 2.664 3.804 . 0 0 "[ . 1 . 2]" 1
608 1 24 TRP HA 1 25 ALA H 3.900 . 4.700 3.521 3.495 3.555 . 0 0 "[ . 1 . 2]" 1
609 1 24 TRP HB2 1 25 ALA H 3.300 . 4.000 3.753 3.611 3.854 . 0 0 "[ . 1 . 2]" 1
610 1 24 TRP HB3 1 25 ALA H 3.700 . 4.400 2.592 2.332 2.753 . 0 0 "[ . 1 . 2]" 1
611 1 24 TRP H 1 25 ALA H 3.500 . 4.200 2.677 2.539 2.878 . 0 0 "[ . 1 . 2]" 1
612 1 24 TRP HZ3 1 25 ALA HA 4.200 . 5.200 4.038 3.269 4.594 . 0 0 "[ . 1 . 2]" 1
613 1 24 TRP HZ3 1 25 ALA MB 4.300 . 5.500 4.746 3.947 5.378 . 0 0 "[ . 1 . 2]" 1
614 1 25 ALA HA 1 26 GLU H 3.900 . 4.700 3.556 3.538 3.574 . 0 0 "[ . 1 . 2]" 1
615 1 25 ALA MB 1 26 GLU H 3.300 . 4.100 2.382 2.151 2.553 . 0 0 "[ . 1 . 2]" 1
616 1 25 ALA MB 1 26 GLU HA 3.600 . 4.300 3.784 3.725 3.839 . 0 0 "[ . 1 . 2]" 1
617 1 25 ALA MB 1 26 GLU HB2 4.200 . 5.000 4.355 3.841 4.600 . 0 0 "[ . 1 . 2]" 1
618 1 25 ALA MB 1 26 GLU HG2 4.000 . 4.900 3.677 3.158 4.357 . 0 0 "[ . 1 . 2]" 1
619 1 25 ALA MB 1 26 GLU HG3 3.900 . 4.700 4.037 3.024 4.795 0.095 5 0 "[ . 1 . 2]" 1
620 1 25 ALA H 1 26 GLU H 3.300 . 4.000 2.735 2.611 2.886 . 0 0 "[ . 1 . 2]" 1
621 1 26 GLU HA 1 27 SER H 3.700 . 4.400 3.521 3.475 3.558 . 0 0 "[ . 1 . 2]" 1
622 1 26 GLU HB2 1 27 SER H 3.500 . 4.200 2.757 2.428 3.125 . 0 0 "[ . 1 . 2]" 1
623 1 26 GLU HB3 1 27 SER H 3.700 . 4.400 3.633 3.392 3.975 . 0 0 "[ . 1 . 2]" 1
624 1 26 GLU H 1 27 SER H 3.000 . 3.600 2.629 2.523 2.755 . 0 0 "[ . 1 . 2]" 1
625 1 27 SER H 1 28 GLU H 3.400 . 4.100 2.783 2.548 2.938 . 0 0 "[ . 1 . 2]" 1
626 1 28 GLU HA 1 29 ARG H 3.500 . 4.200 3.474 3.439 3.534 . 0 0 "[ . 1 . 2]" 1
627 1 27 SER H 1 28 GLU QB 4.500 . 5.400 4.575 4.167 4.969 . 0 0 "[ . 1 . 2]" 1
628 1 28 GLU QB 1 29 ARG H 3.500 . 4.200 2.941 2.500 3.643 . 0 0 "[ . 1 . 2]" 1
629 1 28 GLU QG 1 29 ARG H 3.900 . 4.700 4.052 2.530 4.680 . 0 0 "[ . 1 . 2]" 1
630 1 28 GLU H 1 29 ARG H 3.000 . 3.600 2.524 2.396 2.751 . 0 0 "[ . 1 . 2]" 1
631 1 29 ARG HA 1 30 ASN H 3.000 . 3.600 3.527 3.470 3.569 . 0 0 "[ . 1 . 2]" 1
632 1 29 ARG QB 1 30 ASN H 3.200 . 3.700 2.610 2.327 2.875 . 0 0 "[ . 1 . 2]" 1
633 1 29 ARG QB 1 30 ASN HA 4.200 . 5.000 3.967 3.701 4.385 . 0 0 "[ . 1 . 2]" 1
634 1 29 ARG QD 1 30 ASN H 4.200 . 5.000 4.835 4.492 5.193 0.193 2 0 "[ . 1 . 2]" 1
635 1 29 ARG HG2 1 30 ASN H 4.600 . 5.400 4.676 3.349 5.155 . 0 0 "[ . 1 . 2]" 1
636 1 29 ARG HG3 1 30 ASN H 4.500 . 5.500 4.566 4.150 5.190 . 0 0 "[ . 1 . 2]" 1
637 1 30 ASN HB3 1 31 CYS H 3.400 . 4.100 2.762 2.576 2.945 . 0 0 "[ . 1 . 2]" 1
638 1 30 ASN H 1 31 CYS H 2.800 . 3.400 2.452 2.276 2.676 . 0 0 "[ . 1 . 2]" 1
639 1 31 CYS HA 1 32 SER H 3.600 . 4.300 2.577 2.084 2.675 . 0 0 "[ . 1 . 2]" 1
640 1 31 CYS HB2 1 32 SER H 3.300 . 4.000 3.476 3.277 4.136 0.136 17 0 "[ . 1 . 2]" 1
641 1 31 CYS HB3 1 32 SER H 3.600 . 4.300 2.250 2.004 3.293 . 0 0 "[ . 1 . 2]" 1
642 1 32 SER HB3 1 33 GLY H 3.000 . 3.600 3.468 2.449 3.714 0.114 19 0 "[ . 1 . 2]" 1
643 1 32 SER H 1 33 GLY H 3.000 . 3.600 3.322 2.637 3.489 . 0 0 "[ . 1 . 2]" 1
644 1 33 GLY QA 1 34 MET H 2.900 . 3.500 2.823 2.762 2.879 . 0 0 "[ . 1 . 2]" 1
645 1 33 GLY H 1 34 MET H 2.800 . 3.400 2.659 2.580 2.768 . 0 0 "[ . 1 . 2]" 1
646 1 34 MET HA 1 35 GLY H 3.500 . 4.200 3.173 3.085 3.235 . 0 0 "[ . 1 . 2]" 1
647 1 34 MET HB2 1 35 GLY H 4.700 . 5.600 3.945 3.648 4.476 . 0 0 "[ . 1 . 2]" 1
648 1 34 MET ME 1 35 GLY H 5.300 . 6.500 5.172 4.700 5.397 . 0 0 "[ . 1 . 2]" 1
649 1 34 MET H 1 35 GLY H 2.500 . 3.000 2.527 2.379 2.705 . 0 0 "[ . 1 . 2]" 1
650 1 35 GLY HA2 1 36 ALA H 3.200 . 3.800 3.074 2.601 3.392 . 0 0 "[ . 1 . 2]" 1
651 1 35 GLY HA2 1 36 ALA MB 5.100 . 6.200 4.722 4.402 4.923 . 0 0 "[ . 1 . 2]" 1
652 1 35 GLY HA3 1 36 ALA H 3.200 . 3.800 3.338 3.113 3.553 . 0 0 "[ . 1 . 2]" 1
653 1 35 GLY HA3 1 36 ALA HA 4.600 . 5.500 4.495 4.389 4.657 . 0 0 "[ . 1 . 2]" 1
654 1 35 GLY H 1 36 ALA H 2.500 . 3.000 2.547 2.412 2.734 . 0 0 "[ . 1 . 2]" 1
655 1 35 GLY H 1 36 ALA MB 4.200 . 5.100 4.287 3.943 4.572 . 0 0 "[ . 1 . 2]" 1
656 1 36 ALA HA 1 37 HIS H 3.000 . 3.600 2.504 2.218 2.640 . 0 0 "[ . 1 . 2]" 1
657 1 36 ALA MB 1 37 HIS H 2.900 . 3.600 2.234 2.016 2.851 . 0 0 "[ . 1 . 2]" 1
658 1 36 ALA MB 1 37 HIS HA 4.500 . 5.500 3.856 3.604 4.127 . 0 0 "[ . 1 . 2]" 1
659 1 37 HIS HA 1 38 LEU H 2.900 . 3.500 2.456 2.367 2.522 . 0 0 "[ . 1 . 2]" 1
660 1 37 HIS HB2 1 38 LEU H 3.500 . 4.200 3.830 3.473 4.227 0.027 11 0 "[ . 1 . 2]" 1
661 1 37 HIS HB3 1 38 LEU H 3.500 . 4.200 2.735 2.311 3.595 . 0 0 "[ . 1 . 2]" 1
662 1 37 HIS H 1 38 LEU H 4.700 . 5.600 4.407 4.343 4.493 . 0 0 "[ . 1 . 2]" 1
663 1 38 LEU HA 1 39 MET H 3.300 . 4.000 2.244 2.115 2.405 . 0 0 "[ . 1 . 2]" 1
664 1 38 LEU QD 1 39 MET H 4.100 . 5.000 3.000 1.792 3.853 0.008 12 0 "[ . 1 . 2]" 1
665 1 39 MET HA 1 40 THR H 3.300 . 4.000 2.141 2.084 2.229 . 0 0 "[ . 1 . 2]" 1
666 1 39 MET QB 1 40 THR H 4.400 . 5.300 3.884 3.663 3.995 . 0 0 "[ . 1 . 2]" 1
667 1 41 ILE HA 1 42 SER H 2.400 . 2.900 2.126 2.095 2.195 . 0 0 "[ . 1 . 2]" 1
668 1 41 ILE HG13 1 42 SER H 4.600 . 5.400 5.168 5.069 5.659 0.259 13 0 "[ . 1 . 2]" 1
669 1 41 ILE MG 1 42 SER H 2.900 . 3.500 3.029 2.786 3.414 . 0 0 "[ . 1 . 2]" 1
670 1 41 ILE MG 1 42 SER HA 4.500 . 5.400 3.991 3.776 4.174 . 0 0 "[ . 1 . 2]" 1
671 1 42 SER HA 1 43 THR MG 5.000 . 6.100 4.305 4.092 4.712 . 0 0 "[ . 1 . 2]" 1
672 1 42 SER HB2 1 43 THR H 3.400 . 4.100 3.030 2.361 3.989 . 0 0 "[ . 1 . 2]" 1
673 1 42 SER HB2 1 43 THR MG 3.300 . 4.100 2.955 2.677 4.136 0.036 12 0 "[ . 1 . 2]" 1
674 1 42 SER HB3 1 43 THR MG 3.400 . 4.200 3.594 2.577 4.257 0.057 9 0 "[ . 1 . 2]" 1
675 1 42 SER H 1 43 THR H 2.500 . 3.000 2.230 2.030 2.660 . 0 0 "[ . 1 . 2]" 1
676 1 42 SER H 1 43 THR MG 5.000 . 6.100 4.354 3.556 4.802 . 0 0 "[ . 1 . 2]" 1
677 1 43 THR HA 1 44 GLU H 3.000 . 3.600 2.284 2.158 2.419 . 0 0 "[ . 1 . 2]" 1
678 1 43 THR HB 1 44 GLU H 3.100 . 3.700 2.656 2.239 3.711 0.011 11 0 "[ . 1 . 2]" 1
679 1 43 THR HB 1 44 GLU HG3 4.900 . 5.900 4.739 4.353 5.958 0.058 11 0 "[ . 1 . 2]" 1
680 1 42 SER QB 1 43 THR MG 3.300 . 4.100 2.747 2.552 3.008 . 0 0 "[ . 1 . 2]" 1
681 1 43 THR MG 1 44 GLU H 3.900 . 4.800 3.605 3.366 3.860 . 0 0 "[ . 1 . 2]" 1
682 1 44 GLU HA 1 45 ALA H 4.200 . 5.000 3.519 3.411 3.567 . 0 0 "[ . 1 . 2]" 1
683 1 44 GLU H 1 45 ALA H 2.900 . 3.500 2.638 2.513 2.797 . 0 0 "[ . 1 . 2]" 1
684 1 44 GLU H 1 45 ALA MB 4.500 . 5.500 4.319 4.205 4.429 . 0 0 "[ . 1 . 2]" 1
685 1 45 ALA HA 1 46 GLU H 4.100 . 4.900 3.525 3.489 3.569 . 0 0 "[ . 1 . 2]" 1
686 1 45 ALA MB 1 46 GLU H 3.300 . 4.100 2.524 2.381 2.673 . 0 0 "[ . 1 . 2]" 1
687 1 45 ALA MB 1 46 GLU HA 4.800 . 5.900 3.886 3.797 4.001 . 0 0 "[ . 1 . 2]" 1
688 1 45 ALA MB 1 46 GLU QB 3.400 . 4.200 3.944 3.798 4.220 0.020 3 0 "[ . 1 . 2]" 1
689 1 45 ALA H 1 46 GLU H 3.300 . 4.000 2.625 2.445 2.732 . 0 0 "[ . 1 . 2]" 1
690 1 46 GLU QB 1 47 GLN H 3.100 . 3.700 2.310 2.149 2.492 . 0 0 "[ . 1 . 2]" 1
691 1 46 GLU QB 1 47 GLN HB3 3.900 . 4.600 4.585 4.493 4.663 0.063 16 0 "[ . 1 . 2]" 1
692 1 46 GLU H 1 47 GLN H 2.800 . 3.400 2.854 2.692 3.039 . 0 0 "[ . 1 . 2]" 1
693 1 46 GLU H 1 47 GLN HB2 5.000 . 6.000 5.270 4.970 5.438 . 0 0 "[ . 1 . 2]" 1
694 1 47 GLN HA 1 48 ASN H 4.300 . 5.200 3.553 3.534 3.588 . 0 0 "[ . 1 . 2]" 1
695 1 47 GLN HB2 1 48 ASN H 3.700 . 4.300 3.786 3.512 3.987 . 0 0 "[ . 1 . 2]" 1
696 1 47 GLN HB3 1 48 ASN H 3.200 . 3.800 2.428 2.193 2.714 . 0 0 "[ . 1 . 2]" 1
697 1 47 GLN HG3 1 48 ASN H 4.000 . 4.800 4.545 3.388 4.926 0.126 14 0 "[ . 1 . 2]" 1
698 1 47 GLN H 1 48 ASN H 2.700 . 3.200 2.789 2.703 2.917 . 0 0 "[ . 1 . 2]" 1
699 1 48 ASN HA 1 49 PHE H 4.100 . 4.900 3.499 3.452 3.545 . 0 0 "[ . 1 . 2]" 1
700 1 48 ASN HB3 1 49 PHE H 3.100 . 3.700 3.637 3.295 3.896 0.196 13 0 "[ . 1 . 2]" 1
701 1 48 ASN H 1 49 PHE H 2.900 . 3.500 2.721 2.580 2.852 . 0 0 "[ . 1 . 2]" 1
702 1 49 PHE HA 1 50 ILE H 4.100 . 4.900 3.542 3.460 3.580 . 0 0 "[ . 1 . 2]" 1
703 1 49 PHE HB2 1 50 ILE H 3.700 . 4.400 3.108 2.886 3.705 . 0 0 "[ . 1 . 2]" 1
704 1 49 PHE HB3 1 50 ILE H 3.400 . 4.100 3.470 2.426 3.905 . 0 0 "[ . 1 . 2]" 1
705 1 49 PHE H 1 50 ILE H 2.800 . 3.400 2.483 2.387 2.719 . 0 0 "[ . 1 . 2]" 1
706 1 49 PHE H 1 50 ILE MG 4.900 . 6.000 3.890 3.767 4.102 . 0 0 "[ . 1 . 2]" 1
707 1 50 ILE MG 1 51 ILE H 3.200 . 3.900 2.342 2.194 2.434 . 0 0 "[ . 1 . 2]" 1
708 1 50 ILE MG 1 51 ILE HA 4.400 . 5.400 3.155 3.040 3.250 . 0 0 "[ . 1 . 2]" 1
709 1 50 ILE MG 1 51 ILE MG 3.600 . 4.500 2.310 2.192 2.429 . 0 0 "[ . 1 . 2]" 1
710 1 50 ILE H 1 51 ILE H 3.000 . 3.600 2.537 2.336 2.653 . 0 0 "[ . 1 . 2]" 1
711 1 50 ILE H 1 51 ILE MG 4.800 . 5.900 3.958 3.700 4.126 . 0 0 "[ . 1 . 2]" 1
712 1 51 ILE HA 1 52 GLN H 4.100 . 4.900 3.340 3.288 3.444 . 0 0 "[ . 1 . 2]" 1
713 1 51 ILE MD 1 52 GLN H 4.000 . 4.900 4.490 4.224 4.606 . 0 0 "[ . 1 . 2]" 1
714 1 51 ILE MD 1 52 GLN HA 4.700 . 5.700 5.009 4.832 5.120 . 0 0 "[ . 1 . 2]" 1
715 1 51 ILE MG 1 52 GLN H 4.200 . 5.100 4.145 4.059 4.235 . 0 0 "[ . 1 . 2]" 1
716 1 51 ILE MG 1 52 GLN HA 5.400 . 6.600 5.534 5.444 5.567 . 0 0 "[ . 1 . 2]" 1
717 1 51 ILE H 1 52 GLN H 3.000 . 3.600 2.612 2.524 2.720 . 0 0 "[ . 1 . 2]" 1
718 1 52 GLN HA 1 53 PHE H 3.400 . 4.100 3.441 3.375 3.494 . 0 0 "[ . 1 . 2]" 1
719 1 52 GLN HB2 1 53 PHE H 3.500 . 4.200 3.256 2.759 4.192 . 0 0 "[ . 1 . 2]" 1
720 1 52 GLN HG2 1 53 PHE H 4.400 . 5.200 4.565 2.762 5.195 . 0 0 "[ . 1 . 2]" 1
721 1 52 GLN H 1 53 PHE H 2.700 . 3.200 2.291 2.220 2.439 . 0 0 "[ . 1 . 2]" 1
722 1 53 PHE HA 1 54 LEU H 3.700 . 4.400 3.434 3.395 3.461 . 0 0 "[ . 1 . 2]" 1
723 1 53 PHE HB2 1 54 LEU H 4.500 . 5.400 2.985 2.848 3.138 . 0 0 "[ . 1 . 2]" 1
724 1 53 PHE HB3 1 54 LEU H 4.300 . 5.200 3.976 3.881 4.138 . 0 0 "[ . 1 . 2]" 1
725 1 53 PHE HD2 1 54 LEU QD 5.600 . 7.000 4.649 4.273 4.962 . 0 0 "[ . 1 . 2]" 1
726 1 53 PHE H 1 54 LEU H 2.400 . 2.900 2.161 2.071 2.276 . 0 0 "[ . 1 . 2]" 1
727 1 53 PHE H 1 54 LEU HA 4.500 . 5.400 4.813 4.724 4.883 . 0 0 "[ . 1 . 2]" 1
728 1 53 PHE H 1 54 LEU HG 3.100 . 3.700 3.567 3.465 3.695 . 0 0 "[ . 1 . 2]" 1
729 1 54 LEU HA 1 55 ASP H 2.600 . 3.100 2.224 2.140 2.338 . 0 0 "[ . 1 . 2]" 1
730 1 54 LEU QB 1 55 ASP H 3.400 . 4.100 2.848 2.399 3.185 . 0 0 "[ . 1 . 2]" 1
731 1 53 PHE H 1 54 LEU QD 4.400 . 5.500 4.115 4.026 4.215 . 0 0 "[ . 1 . 2]" 1
732 1 54 LEU QD 1 55 ASP H 4.100 . 5.100 3.473 3.312 3.624 . 0 0 "[ . 1 . 2]" 1
733 1 54 LEU HG 1 55 ASP H 4.300 . 5.200 5.089 4.904 5.197 . 0 0 "[ . 1 . 2]" 1
734 1 55 ASP HA 1 56 ARG H 2.800 . 3.400 2.355 2.134 3.444 0.044 17 0 "[ . 1 . 2]" 1
735 1 55 ASP HB3 1 56 ARG H 3.900 . 4.700 4.023 3.287 4.254 . 0 0 "[ . 1 . 2]" 1
736 1 56 ARG QB 1 57 ARG H 3.400 . 4.100 3.694 2.430 3.917 . 0 0 "[ . 1 . 2]" 1
737 1 56 ARG H 1 57 ARG H 3.300 . 4.000 3.077 2.495 3.630 . 0 0 "[ . 1 . 2]" 1
738 1 57 ARG HA 1 58 LEU QD 4.200 . 5.100 4.062 3.686 4.312 . 0 0 "[ . 1 . 2]" 1
739 1 57 ARG HB2 1 58 LEU H 3.900 . 4.600 4.289 3.570 4.494 . 0 0 "[ . 1 . 2]" 1
740 1 57 ARG HB2 1 58 LEU QD 4.100 . 4.900 3.804 3.235 4.003 . 0 0 "[ . 1 . 2]" 1
741 1 57 ARG HD3 1 58 LEU QD 4.000 . 4.700 3.780 3.002 4.510 . 0 0 "[ . 1 . 2]" 1
742 1 57 ARG HE 1 58 LEU QD 4.400 . 5.400 2.936 2.288 4.634 . 0 0 "[ . 1 . 2]" 1
743 1 57 ARG HG2 1 58 LEU HA 3.700 . 4.300 3.607 3.227 4.475 0.175 4 0 "[ . 1 . 2]" 1
744 1 57 ARG QG 1 58 LEU H 3.400 . 4.100 3.062 2.654 4.021 . 0 0 "[ . 1 . 2]" 1
745 1 57 ARG H 1 58 LEU H 2.700 . 3.200 1.921 1.736 2.647 0.064 8 0 "[ . 1 . 2]" 1
746 1 57 ARG H 1 58 LEU QD 4.300 . 5.100 3.125 2.792 3.784 . 0 0 "[ . 1 . 2]" 1
747 1 57 ARG QG 1 58 LEU HA 3.200 . 3.700 3.329 3.008 3.755 0.055 14 0 "[ . 1 . 2]" 1
748 1 58 LEU HA 1 59 SER H 2.900 . 3.500 2.356 2.192 2.480 . 0 0 "[ . 1 . 2]" 1
749 1 58 LEU HB2 1 59 SER H 3.400 . 4.100 3.735 3.428 4.136 0.036 19 0 "[ . 1 . 2]" 1
750 1 58 LEU HB3 1 59 SER H 2.900 . 3.500 2.436 2.089 2.946 . 0 0 "[ . 1 . 2]" 1
751 1 58 LEU HG 1 59 SER H 4.400 . 5.400 4.318 3.505 4.734 . 0 0 "[ . 1 . 2]" 1
752 1 59 SER HA 1 60 TYR H 2.600 . 3.100 2.179 2.159 2.227 . 0 0 "[ . 1 . 2]" 1
753 1 59 SER HA 1 60 TYR QD 3.700 . 4.400 3.300 2.902 3.671 . 0 0 "[ . 1 . 2]" 1
754 1 59 SER HB3 1 60 TYR H 3.700 . 4.400 3.675 3.303 4.305 . 0 0 "[ . 1 . 2]" 1
755 1 59 SER HB2 1 60 TYR H 3.900 . 4.700 3.939 3.274 4.276 . 0 0 "[ . 1 . 2]" 1
756 1 60 TYR HA 1 61 PHE H 2.900 . 3.500 2.151 2.132 2.175 . 0 0 "[ . 1 . 2]" 1
757 1 60 TYR HB2 1 61 PHE H 4.400 . 5.300 4.270 4.202 4.315 . 0 0 "[ . 1 . 2]" 1
758 1 61 PHE HA 1 62 LEU H 3.000 . 3.600 2.170 2.110 2.232 . 0 0 "[ . 1 . 2]" 1
759 1 61 PHE H 1 62 LEU H 5.000 . 6.000 4.591 4.521 4.636 . 0 0 "[ . 1 . 2]" 1
760 1 62 LEU HA 1 63 GLY H 3.500 . 4.200 2.509 2.335 2.699 . 0 0 "[ . 1 . 2]" 1
761 1 62 LEU HB2 1 63 GLY H 3.900 . 4.700 3.295 1.968 3.731 . 0 0 "[ . 1 . 2]" 1
762 1 62 LEU HB3 1 63 GLY H 4.000 . 4.800 2.387 2.017 3.405 . 0 0 "[ . 1 . 2]" 1
763 1 62 LEU QD 1 63 GLY H 4.400 . 5.400 3.290 3.069 3.575 . 0 0 "[ . 1 . 2]" 1
764 1 62 LEU HG 1 63 GLY H 4.200 . 5.000 4.808 4.496 5.001 0.001 14 0 "[ . 1 . 2]" 1
765 1 63 GLY H 1 64 LEU H 4.300 . 5.200 3.152 2.554 4.350 . 0 0 "[ . 1 . 2]" 1
766 1 64 LEU HA 1 65 ARG H 3.000 . 3.600 2.178 2.118 2.336 . 0 0 "[ . 1 . 2]" 1
767 1 64 LEU QD 1 65 ARG H 4.300 . 5.200 2.996 2.416 4.138 . 0 0 "[ . 1 . 2]" 1
768 1 65 ARG HA 1 66 ASP H 3.100 . 3.700 2.169 2.078 2.294 . 0 0 "[ . 1 . 2]" 1
769 1 65 ARG HB2 1 66 ASP H 4.200 . 5.000 4.070 2.410 4.480 . 0 0 "[ . 1 . 2]" 1
770 1 65 ARG HB3 1 66 ASP H 4.000 . 4.800 4.256 3.760 4.431 . 0 0 "[ . 1 . 2]" 1
771 1 65 ARG HG2 1 66 ASP H 3.800 . 4.600 3.374 2.565 4.682 0.082 9 0 "[ . 1 . 2]" 1
772 1 65 ARG HG2 1 66 ASP HA 4.700 . 5.600 3.561 2.739 5.315 . 0 0 "[ . 1 . 2]" 1
773 1 65 ARG HG3 1 66 ASP H 4.100 . 4.900 3.585 3.117 4.029 . 0 0 "[ . 1 . 2]" 1
774 1 66 ASP HA 1 67 GLU H 2.700 . 3.200 2.274 2.085 2.444 . 0 0 "[ . 1 . 2]" 1
775 1 67 GLU HA 1 68 ASN H 3.200 . 3.800 2.593 2.101 3.565 . 0 0 "[ . 1 . 2]" 1
776 1 67 GLU HB3 1 68 ASN HB2 5.200 . 6.100 4.743 2.977 5.430 . 0 0 "[ . 1 . 2]" 1
777 1 67 GLU QB 1 68 ASN H 3.400 . 4.100 3.577 1.957 4.029 . 0 0 "[ . 1 . 2]" 1
778 1 67 GLU QG 1 68 ASN H 3.500 . 4.200 3.498 2.959 4.225 0.025 17 0 "[ . 1 . 2]" 1
779 1 67 GLU QG 1 68 ASN HA 4.400 . 5.300 4.801 3.970 5.568 0.268 4 0 "[ . 1 . 2]" 1
780 1 67 GLU QG 1 68 ASN HB2 3.900 . 4.700 3.431 2.497 4.657 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLU QG 1 68 ASN HB3 4.400 . 5.200 4.385 3.109 5.262 0.062 4 0 "[ . 1 . 2]" 1
782 1 67 GLU H 1 68 ASN H 3.700 . 4.500 3.466 1.776 4.520 0.024 8 0 "[ . 1 . 2]" 1
783 1 68 ASN HA 1 69 ALA MB 4.500 . 5.500 3.925 3.747 4.176 . 0 0 "[ . 1 . 2]" 1
784 1 68 ASN HB2 1 69 ALA MB 5.100 . 6.200 5.149 3.692 5.673 . 0 0 "[ . 1 . 2]" 1
785 1 67 GLU QB 1 68 ASN HB3 4.700 . 5.600 4.907 3.481 5.688 0.088 6 0 "[ . 1 . 2]" 1
786 1 68 ASN H 1 69 ALA H 3.000 . 3.600 2.679 1.699 3.882 0.282 13 0 "[ . 1 . 2]" 1
787 1 69 ALA HA 1 70 LYS H 3.100 . 3.700 2.498 2.183 3.371 . 0 0 "[ . 1 . 2]" 1
788 1 69 ALA H 1 70 LYS H 3.400 . 4.100 2.975 1.609 4.109 0.191 16 0 "[ . 1 . 2]" 1
789 1 71 GLY HA2 1 72 GLN H 3.500 . 4.200 3.164 2.426 3.543 . 0 0 "[ . 1 . 2]" 1
790 1 71 GLY HA3 1 72 GLN H 3.600 . 4.300 3.213 2.711 3.559 . 0 0 "[ . 1 . 2]" 1
791 1 72 GLN HA 1 73 TRP H 2.700 . 3.200 2.282 2.079 2.695 . 0 0 "[ . 1 . 2]" 1
792 1 72 GLN HB2 1 73 TRP H 4.800 . 5.800 4.163 3.586 4.470 . 0 0 "[ . 1 . 2]" 1
793 1 72 GLN HB3 1 73 TRP H 4.800 . 5.800 4.315 3.826 4.607 . 0 0 "[ . 1 . 2]" 1
794 1 72 GLN H 1 73 TRP H 4.400 . 5.300 3.764 2.344 4.259 . 0 0 "[ . 1 . 2]" 1
795 1 73 TRP HA 1 74 ARG H 2.600 . 3.100 2.181 2.109 2.454 . 0 0 "[ . 1 . 2]" 1
796 1 73 TRP HB3 1 74 ARG H 3.700 . 4.400 3.304 2.327 3.812 . 0 0 "[ . 1 . 2]" 1
797 1 73 TRP HE3 1 74 ARG H 4.200 . 5.000 3.899 2.935 4.391 . 0 0 "[ . 1 . 2]" 1
798 1 73 TRP H 1 74 ARG H 5.000 . 6.000 4.449 4.264 4.608 . 0 0 "[ . 1 . 2]" 1
799 1 74 ARG HA 1 75 TRP H 2.600 . 3.100 2.284 2.138 2.496 . 0 0 "[ . 1 . 2]" 1
800 1 74 ARG HB2 1 75 TRP H 3.400 . 4.100 3.781 2.343 4.234 0.134 2 0 "[ . 1 . 2]" 1
801 1 74 ARG QG 1 75 TRP H 4.300 . 5.000 3.397 2.047 4.361 . 0 0 "[ . 1 . 2]" 1
802 1 76 VAL MG1 1 77 ASP H 3.600 . 4.400 2.952 1.723 4.350 0.077 15 0 "[ . 1 . 2]" 1
803 1 76 VAL MG1 1 77 ASP HA 5.100 . 6.200 3.860 3.051 5.668 . 0 0 "[ . 1 . 2]" 1
804 1 76 VAL MG1 1 77 ASP HB3 5.100 . 6.100 4.117 3.139 6.097 . 0 0 "[ . 1 . 2]" 1
805 1 76 VAL MG2 1 77 ASP HA 5.000 . 6.100 4.206 2.971 5.717 . 0 0 "[ . 1 . 2]" 1
806 1 76 VAL MG2 1 77 ASP HB3 4.900 . 6.000 5.012 3.219 5.884 . 0 0 "[ . 1 . 2]" 1
807 1 77 ASP HB2 1 78 GLN H 4.500 . 5.400 3.716 2.089 4.610 . 0 0 "[ . 1 . 2]" 1
808 1 77 ASP HB3 1 78 GLN HA 5.300 . 6.800 5.558 4.297 6.556 . 0 0 "[ . 1 . 2]" 1
809 1 78 GLN HA 1 79 THR H 3.200 . 3.800 3.319 2.377 3.544 . 0 0 "[ . 1 . 2]" 1
810 1 79 THR HA 1 80 PRO HA 4.500 . 5.400 4.494 4.453 4.530 . 0 0 "[ . 1 . 2]" 1
811 1 79 THR HA 1 80 PRO HB2 4.600 . 5.500 5.108 4.975 5.430 . 0 0 "[ . 1 . 2]" 1
812 1 79 THR HA 1 80 PRO HB3 4.600 . 5.500 5.349 4.966 5.474 . 0 0 "[ . 1 . 2]" 1
813 1 79 THR HA 1 80 PRO HD2 3.100 . 3.700 2.527 1.785 2.709 0.015 13 0 "[ . 1 . 2]" 1
814 1 79 THR HA 1 80 PRO HD3 3.200 . 3.800 1.889 1.774 2.519 0.026 2 0 "[ . 1 . 2]" 1
815 1 79 THR HA 1 80 PRO HG2 4.600 . 5.500 4.317 3.965 4.401 . 0 0 "[ . 1 . 2]" 1
816 1 79 THR HA 1 80 PRO HG3 4.400 . 5.300 4.032 3.942 4.340 . 0 0 "[ . 1 . 2]" 1
817 1 79 THR HB 1 80 PRO HD3 4.800 . 5.800 4.655 4.464 5.158 . 0 0 "[ . 1 . 2]" 1
818 1 79 THR MG 1 80 PRO HA 5.300 . 6.500 4.281 4.107 4.453 . 0 0 "[ . 1 . 2]" 1
819 1 79 THR MG 1 80 PRO HB2 4.600 . 5.600 4.397 4.085 4.820 . 0 0 "[ . 1 . 2]" 1
820 1 79 THR MG 1 80 PRO HD2 3.600 . 4.400 2.572 2.343 2.837 . 0 0 "[ . 1 . 2]" 1
821 1 79 THR MG 1 80 PRO HD3 3.400 . 4.200 3.295 2.978 3.865 . 0 0 "[ . 1 . 2]" 1
822 1 79 THR MG 1 80 PRO HG2 4.400 . 5.400 4.441 3.476 4.801 . 0 0 "[ . 1 . 2]" 1
823 1 79 THR MG 1 80 PRO HG3 4.700 . 5.700 4.785 4.551 5.011 . 0 0 "[ . 1 . 2]" 1
824 1 80 PRO HA 1 81 PHE H 2.300 . 2.800 2.315 2.183 2.431 . 0 0 "[ . 1 . 2]" 1
825 1 80 PRO HB2 1 81 PHE H 3.500 . 4.200 3.220 2.568 3.600 . 0 0 "[ . 1 . 2]" 1
826 1 80 PRO HB3 1 81 PHE H 3.300 . 4.000 3.181 2.898 3.476 . 0 0 "[ . 1 . 2]" 1
827 1 80 PRO HG2 1 81 PHE H 5.000 . 6.000 5.209 4.421 5.458 . 0 0 "[ . 1 . 2]" 1
828 1 80 PRO HG3 1 81 PHE H 4.400 . 5.300 5.002 4.866 5.135 . 0 0 "[ . 1 . 2]" 1
829 1 81 PHE HA 1 82 ASN H 3.000 . 3.600 2.189 2.103 2.288 . 0 0 "[ . 1 . 2]" 1
830 1 82 ASN HA 1 83 PRO HA 4.800 . 5.800 4.497 4.426 4.575 . 0 0 "[ . 1 . 2]" 1
831 1 82 ASN HA 1 83 PRO HB2 4.600 . 5.500 5.264 5.015 5.530 0.030 6 0 "[ . 1 . 2]" 1
832 1 82 ASN HA 1 83 PRO HB3 5.200 . 6.200 5.218 4.773 5.535 . 0 0 "[ . 1 . 2]" 1
833 1 82 ASN HA 1 83 PRO HD2 2.900 . 3.500 2.339 1.933 2.713 . 0 0 "[ . 1 . 2]" 1
834 1 82 ASN HA 1 83 PRO HD3 3.000 . 3.600 2.125 1.778 2.534 0.022 19 0 "[ . 1 . 2]" 1
835 1 82 ASN HA 1 83 PRO HG2 3.800 . 4.600 4.326 4.137 4.496 . 0 0 "[ . 1 . 2]" 1
836 1 82 ASN HA 1 83 PRO HG3 4.000 . 4.800 4.226 3.925 4.461 . 0 0 "[ . 1 . 2]" 1
837 1 82 ASN HB2 1 83 PRO HD2 4.700 . 5.600 4.633 3.751 5.202 . 0 0 "[ . 1 . 2]" 1
838 1 82 ASN HB2 1 83 PRO HD3 4.600 . 5.500 4.782 4.174 5.218 . 0 0 "[ . 1 . 2]" 1
839 1 82 ASN H 1 83 PRO HD2 4.800 . 5.800 5.036 4.692 5.341 . 0 0 "[ . 1 . 2]" 1
840 1 82 ASN H 1 83 PRO HD3 4.900 . 5.900 4.335 3.877 4.828 . 0 0 "[ . 1 . 2]" 1
841 1 83 PRO HA 1 84 ARG H 3.900 . 4.700 3.491 3.288 3.584 . 0 0 "[ . 1 . 2]" 1
842 1 83 PRO HA 1 84 ARG HA 4.300 . 5.100 4.603 4.438 4.721 . 0 0 "[ . 1 . 2]" 1
843 1 83 PRO HB2 1 84 ARG H 4.200 . 5.000 3.198 2.320 4.089 . 0 0 "[ . 1 . 2]" 1
844 1 83 PRO HD2 1 84 ARG H 3.800 . 4.600 2.630 2.291 3.137 . 0 0 "[ . 1 . 2]" 1
845 1 83 PRO HD3 1 84 ARG H 4.800 . 5.800 3.865 3.644 4.135 . 0 0 "[ . 1 . 2]" 1
846 1 84 ARG HB2 1 85 ARG H 4.100 . 4.900 3.874 2.992 4.297 . 0 0 "[ . 1 . 2]" 1
847 1 84 ARG HB3 1 85 ARG HA 4.000 . 4.800 4.541 4.029 4.820 0.020 5 0 "[ . 1 . 2]" 1
848 1 84 ARG H 1 85 ARG H 2.600 . 3.100 2.305 1.903 2.977 . 0 0 "[ . 1 . 2]" 1
849 1 85 ARG HA 1 86 VAL H 2.700 . 3.200 2.590 2.246 2.996 . 0 0 "[ . 1 . 2]" 1
850 1 85 ARG H 1 86 VAL H 4.000 . 4.800 3.103 2.033 3.944 . 0 0 "[ . 1 . 2]" 1
851 1 85 ARG H 1 86 VAL HA 4.800 . 5.800 4.762 4.344 5.385 . 0 0 "[ . 1 . 2]" 1
852 1 85 ARG H 1 86 VAL MG1 5.500 . 6.700 4.433 3.169 6.044 . 0 0 "[ . 1 . 2]" 1
853 1 85 ARG H 1 86 VAL MG2 4.600 . 5.600 4.773 2.806 5.700 0.100 19 0 "[ . 1 . 2]" 1
854 1 86 VAL HA 1 87 PHE QD 4.400 . 5.500 3.898 2.980 4.462 . 0 0 "[ . 1 . 2]" 1
855 1 86 VAL MG1 1 87 PHE HA 3.700 . 4.400 3.978 3.617 4.343 . 0 0 "[ . 1 . 2]" 1
856 1 87 PHE HA 1 88 TRP H 2.900 . 3.500 2.609 2.224 3.568 0.068 3 0 "[ . 1 . 2]" 1
857 1 87 PHE HB3 1 88 TRP H 3.900 . 4.800 4.133 3.150 4.496 . 0 0 "[ . 1 . 2]" 1
858 1 88 TRP HA 1 89 HIS H 3.900 . 4.700 2.535 2.241 2.896 . 0 0 "[ . 1 . 2]" 1
859 1 88 TRP HB3 1 89 HIS H 3.700 . 4.400 2.213 1.713 3.003 0.087 3 0 "[ . 1 . 2]" 1
860 1 89 HIS HA 1 90 LYS H 3.100 . 3.600 3.042 2.148 3.555 . 0 0 "[ . 1 . 2]" 1
861 1 89 HIS QB 1 90 LYS H 3.200 . 3.800 2.612 1.711 3.942 0.142 19 0 "[ . 1 . 2]" 1
862 1 90 LYS HA 1 91 ASN H 2.800 . 3.500 3.056 1.952 3.537 0.037 4 0 "[ . 1 . 2]" 1
863 1 90 LYS HB2 1 91 ASN H 3.600 . 4.300 3.493 1.762 4.396 0.096 11 0 "[ . 1 . 2]" 1
864 1 90 LYS HB3 1 91 ASN H 3.500 . 4.200 3.461 1.831 4.372 0.172 15 0 "[ . 1 . 2]" 1
865 1 90 LYS QD 1 91 ASN H 4.000 . 4.800 4.099 1.888 4.998 0.198 18 0 "[ . 1 . 2]" 1
866 1 90 LYS HG2 1 91 ASN H 3.700 . 4.400 3.933 2.391 4.601 0.201 9 0 "[ . 1 . 2]" 1
867 1 90 LYS HG3 1 91 ASN H 4.200 . 5.400 4.109 2.059 5.688 0.288 16 0 "[ . 1 . 2]" 1
868 1 90 LYS H 1 91 ASN H 3.900 . 4.700 2.977 1.813 4.537 . 0 0 "[ . 1 . 2]" 1
869 1 91 ASN HB3 1 92 GLU H 4.500 . 5.400 4.168 2.329 4.593 . 0 0 "[ . 1 . 2]" 1
870 1 91 ASN H 1 92 GLU H 3.300 . 3.900 2.569 1.727 3.905 0.073 4 0 "[ . 1 . 2]" 1
871 1 95 ASN HA 1 96 SER H 3.100 . 3.700 3.033 2.140 3.576 . 0 0 "[ . 1 . 2]" 1
872 1 95 ASN QB 1 96 SER H 4.400 . 5.300 3.133 1.711 3.951 0.089 19 0 "[ . 1 . 2]" 1
873 1 95 ASN QB 1 96 SER HA 4.700 . 5.600 4.398 3.653 5.059 . 0 0 "[ . 1 . 2]" 1
874 1 96 SER HA 1 97 GLN H 2.400 . 2.900 2.373 2.088 3.055 0.155 20 0 "[ . 1 . 2]" 1
875 1 96 SER HA 1 97 GLN QG 4.500 . 5.400 4.119 3.238 5.233 . 0 0 "[ . 1 . 2]" 1
876 1 96 SER HB2 1 97 GLN QG 5.200 . 6.100 5.704 4.747 6.249 0.149 9 0 "[ . 1 . 2]" 1
877 1 96 SER HB3 1 97 GLN QG 5.000 . 6.000 5.600 4.235 6.007 0.007 16 0 "[ . 1 . 2]" 1
878 1 96 SER QB 1 97 GLN H 3.500 . 4.100 3.511 2.422 4.030 . 0 0 "[ . 1 . 2]" 1
879 1 96 SER H 1 97 GLN H 3.900 . 4.600 4.021 2.400 4.616 0.016 19 0 "[ . 1 . 2]" 1
880 1 97 GLN HA 1 98 GLY H 2.900 . 3.400 2.456 2.061 3.239 . 0 0 "[ . 1 . 2]" 1
881 1 97 GLN HB2 1 98 GLY H 4.000 2.800 4.700 4.015 2.758 4.524 0.042 12 0 "[ . 1 . 2]" 1
882 1 97 GLN HB3 1 98 GLY H 4.100 . 5.100 3.912 1.781 4.609 0.019 12 0 "[ . 1 . 2]" 1
883 1 97 GLN QG 1 98 GLY H 3.900 . 4.600 4.146 3.493 4.731 0.131 13 0 "[ . 1 . 2]" 1
884 1 97 GLN H 1 98 GLY H 3.800 . 4.600 3.724 1.979 4.567 . 0 0 "[ . 1 . 2]" 1
885 1 98 GLY HA2 1 99 GLU H 3.100 . 3.600 2.874 2.119 3.567 . 0 0 "[ . 1 . 2]" 1
886 1 98 GLY HA3 1 99 GLU H 2.800 . 3.400 2.811 2.152 3.444 0.044 15 0 "[ . 1 . 2]" 1
887 1 100 ASN HA 1 101 CYS H 3.500 . 4.200 2.258 2.074 3.458 . 0 0 "[ . 1 . 2]" 1
888 1 100 ASN HB2 1 101 CYS H 4.100 . 4.900 3.824 2.368 4.546 . 0 0 "[ . 1 . 2]" 1
889 1 101 CYS HA 1 102 VAL MG1 5.200 . 6.300 3.683 3.107 5.368 . 0 0 "[ . 1 . 2]" 1
890 1 102 VAL HA 1 103 VAL H 2.800 . 3.400 2.202 2.142 2.286 . 0 0 "[ . 1 . 2]" 1
891 1 102 VAL HA 1 103 VAL MG1 4.800 . 5.900 3.644 3.194 4.666 . 0 0 "[ . 1 . 2]" 1
892 1 102 VAL HA 1 103 VAL MG2 5.100 . 6.200 3.990 3.619 5.402 . 0 0 "[ . 1 . 2]" 1
893 1 102 VAL MG1 1 103 VAL H 4.200 . 5.100 3.753 2.538 4.058 . 0 0 "[ . 1 . 2]" 1
894 1 102 VAL MG1 1 103 VAL MG1 4.700 . 5.400 4.930 4.238 5.511 0.111 4 0 "[ . 1 . 2]" 1
895 1 102 VAL MG2 1 103 VAL H 3.600 . 4.400 3.461 2.230 4.008 . 0 0 "[ . 1 . 2]" 1
896 1 102 VAL MG2 1 103 VAL HA 5.300 . 6.500 3.765 3.321 5.413 . 0 0 "[ . 1 . 2]" 1
897 1 102 VAL MG2 1 103 VAL MG1 4.400 . 5.500 4.457 3.584 5.173 . 0 0 "[ . 1 . 2]" 1
898 1 103 VAL HA 1 104 LEU H 2.900 . 3.500 2.262 2.180 2.336 . 0 0 "[ . 1 . 2]" 1
899 1 103 VAL MG2 1 104 LEU H 3.900 . 4.800 3.430 2.245 3.795 . 0 0 "[ . 1 . 2]" 1
900 1 103 VAL MG2 1 104 LEU HB3 5.200 . 6.300 5.255 4.238 5.696 . 0 0 "[ . 1 . 2]" 1
901 1 104 LEU HA 1 105 VAL H 2.600 . 3.100 2.149 2.124 2.187 . 0 0 "[ . 1 . 2]" 1
902 1 104 LEU HA 1 105 VAL MG1 4.900 . 6.000 3.702 3.486 3.880 . 0 0 "[ . 1 . 2]" 1
903 1 104 LEU HB2 1 105 VAL H 4.200 . 5.000 4.496 4.406 4.573 . 0 0 "[ . 1 . 2]" 1
904 1 104 LEU HB3 1 105 VAL H 4.100 . 4.900 3.884 3.511 4.345 . 0 0 "[ . 1 . 2]" 1
905 1 104 LEU QD 1 105 VAL H 4.600 . 5.300 3.221 3.014 3.573 . 0 0 "[ . 1 . 2]" 1
906 1 104 LEU HG 1 105 VAL H 4.900 . 5.900 4.556 3.500 5.170 . 0 0 "[ . 1 . 2]" 1
907 1 105 VAL HA 1 106 TYR H 3.000 . 3.600 2.186 2.143 2.253 . 0 0 "[ . 1 . 2]" 1
908 1 105 VAL HB 1 106 TYR H 4.300 . 5.200 3.997 3.862 4.118 . 0 0 "[ . 1 . 2]" 1
909 1 105 VAL MG2 1 106 TYR H 3.600 . 4.400 2.328 2.073 2.506 . 0 0 "[ . 1 . 2]" 1
910 1 106 TYR HA 1 107 ASN H 2.600 . 3.100 2.175 2.138 2.222 . 0 0 "[ . 1 . 2]" 1
911 1 106 TYR HB2 1 107 ASN H 4.600 . 5.500 4.503 4.350 4.601 . 0 0 "[ . 1 . 2]" 1
912 1 106 TYR QD 1 107 ASN H 4.300 . 5.300 4.070 3.703 4.303 . 0 0 "[ . 1 . 2]" 1
913 1 106 TYR H 1 107 ASN H 5.300 . 6.400 4.230 4.101 4.439 . 0 0 "[ . 1 . 2]" 1
914 1 107 ASN HA 1 108 GLN H 2.400 . 2.900 2.200 2.107 2.288 . 0 0 "[ . 1 . 2]" 1
915 1 107 ASN HB3 1 108 GLN H 3.900 . 4.700 3.934 2.856 4.373 . 0 0 "[ . 1 . 2]" 1
916 1 107 ASN H 1 108 GLN H 3.800 . 4.600 4.250 3.988 4.378 . 0 0 "[ . 1 . 2]" 1
917 1 108 GLN HA 1 109 ASP H 2.700 . 3.200 2.809 2.453 3.055 . 0 0 "[ . 1 . 2]" 1
918 1 108 GLN HB2 1 109 ASP H 3.700 . 4.400 4.131 3.870 4.396 . 0 0 "[ . 1 . 2]" 1
919 1 108 GLN HB3 1 109 ASP H 4.000 . 4.800 4.423 4.311 4.481 . 0 0 "[ . 1 . 2]" 1
920 1 108 GLN QG 1 109 ASP H 4.100 . 4.800 4.438 4.386 4.512 . 0 0 "[ . 1 . 2]" 1
921 1 108 GLN H 1 109 ASP H 2.800 . 3.400 2.525 2.370 2.939 . 0 0 "[ . 1 . 2]" 1
922 1 108 GLN H 1 109 ASP HA 4.300 . 5.200 4.746 4.587 5.093 . 0 0 "[ . 1 . 2]" 1
923 1 109 ASP HA 1 110 LYS H 3.100 . 3.700 3.200 2.957 3.472 . 0 0 "[ . 1 . 2]" 1
924 1 109 ASP HA 1 110 LYS HA 4.300 . 5.200 4.409 4.274 4.548 . 0 0 "[ . 1 . 2]" 1
925 1 109 ASP HB2 1 110 LYS H 4.200 . 5.200 4.236 3.982 4.556 . 0 0 "[ . 1 . 2]" 1
926 1 109 ASP HB3 1 110 LYS H 4.200 . 5.000 3.870 3.093 4.609 . 0 0 "[ . 1 . 2]" 1
927 1 109 ASP H 1 110 LYS H 2.600 . 3.100 2.791 2.526 3.045 . 0 0 "[ . 1 . 2]" 1
928 1 110 LYS HA 1 111 TRP H 2.400 . 2.900 2.215 2.069 2.506 . 0 0 "[ . 1 . 2]" 1
929 1 110 LYS HB2 1 111 TRP H 3.600 . 4.200 2.857 2.265 3.230 . 0 0 "[ . 1 . 2]" 1
930 1 110 LYS HB3 1 111 TRP H 3.500 . 4.300 3.991 3.652 4.262 . 0 0 "[ . 1 . 2]" 1
931 1 110 LYS HG2 1 111 TRP H 4.100 . 4.900 4.800 4.075 5.032 0.132 1 0 "[ . 1 . 2]" 1
932 1 110 LYS HG3 1 111 TRP H 3.800 . 4.600 3.987 3.304 4.564 . 0 0 "[ . 1 . 2]" 1
933 1 110 LYS H 1 111 TRP H 3.900 . 4.700 4.400 4.316 4.491 . 0 0 "[ . 1 . 2]" 1
934 1 111 TRP HA 1 112 ALA H 2.900 . 3.500 2.173 2.135 2.255 . 0 0 "[ . 1 . 2]" 1
935 1 111 TRP HB2 1 112 ALA H 4.400 . 5.300 4.265 4.015 4.481 . 0 0 "[ . 1 . 2]" 1
936 1 111 TRP HE3 1 112 ALA H 3.900 . 4.700 3.651 3.242 4.319 . 0 0 "[ . 1 . 2]" 1
937 1 112 ALA HA 1 113 TRP H 3.200 . 3.800 2.463 2.308 2.626 . 0 0 "[ . 1 . 2]" 1
938 1 112 ALA HA 1 113 TRP HD1 3.800 . 4.600 3.345 2.545 4.278 . 0 0 "[ . 1 . 2]" 1
939 1 112 ALA MB 1 113 TRP H 3.100 . 3.800 2.224 1.998 2.498 . 0 0 "[ . 1 . 2]" 1
940 1 112 ALA MB 1 113 TRP HD1 5.900 . 7.200 4.316 3.607 4.998 . 0 0 "[ . 1 . 2]" 1
941 1 113 TRP HA 1 114 ASN H 2.700 . 3.200 2.167 2.106 2.235 . 0 0 "[ . 1 . 2]" 1
942 1 113 TRP QB 1 114 ASN H 3.400 . 4.100 3.135 2.751 3.411 . 0 0 "[ . 1 . 2]" 1
943 1 113 TRP HD1 1 114 ASN H 4.600 . 5.500 4.635 4.131 5.235 . 0 0 "[ . 1 . 2]" 1
944 1 113 TRP H 1 114 ASN H 4.100 . 4.800 4.506 4.372 4.582 . 0 0 "[ . 1 . 2]" 1
945 1 114 ASN HA 1 115 ASP H 3.000 . 3.600 2.201 2.133 2.400 . 0 0 "[ . 1 . 2]" 1
946 1 114 ASN HB3 1 115 ASP H 4.000 . 4.800 3.962 3.211 4.416 . 0 0 "[ . 1 . 2]" 1
947 1 115 ASP HA 1 116 VAL H 2.900 . 3.500 2.133 2.080 2.183 . 0 0 "[ . 1 . 2]" 1
948 1 115 ASP HA 1 116 VAL QG 5.100 . 6.200 3.417 3.217 3.915 . 0 0 "[ . 1 . 2]" 1
949 1 115 ASP HB2 1 116 VAL H 4.100 . 4.900 4.065 3.196 4.347 . 0 0 "[ . 1 . 2]" 1
950 1 115 ASP HB3 1 116 VAL H 3.800 . 4.600 3.983 3.349 4.352 . 0 0 "[ . 1 . 2]" 1
951 1 116 VAL HA 1 117 PRO HD3 3.300 . 4.000 2.564 2.055 2.732 . 0 0 "[ . 1 . 2]" 1
952 1 116 VAL HA 1 117 PRO HG3 4.200 . 5.000 4.550 4.232 4.672 . 0 0 "[ . 1 . 2]" 1
953 1 116 VAL HB 1 117 PRO HD2 4.600 . 5.500 2.424 1.869 4.091 . 0 0 "[ . 1 . 2]" 1
954 1 116 VAL HB 1 117 PRO HD3 4.500 . 5.400 3.881 3.283 5.253 . 0 0 "[ . 1 . 2]" 1
955 1 116 VAL QG 1 117 PRO HA 5.500 . 6.700 4.335 3.875 4.658 . 0 0 "[ . 1 . 2]" 1
956 1 116 VAL QG 1 117 PRO HD2 . . 4.800 2.687 1.768 3.356 0.032 5 0 "[ . 1 . 2]" 1
957 1 116 VAL QG 1 117 PRO HD3 4.700 . 4.900 3.688 3.169 3.943 . 0 0 "[ . 1 . 2]" 1
958 1 116 VAL QG 1 117 PRO HB2 4.700 . 5.700 4.764 3.536 5.227 . 0 0 "[ . 1 . 2]" 1
959 1 116 VAL H 1 117 PRO HD3 5.400 . 6.500 4.968 4.047 5.236 . 0 0 "[ . 1 . 2]" 1
960 1 118 CYS HA 1 119 ASN H 4.200 . 5.000 3.415 3.318 3.550 . 0 0 "[ . 1 . 2]" 1
961 1 118 CYS HB2 1 119 ASN H 3.500 . 4.200 3.234 2.716 3.968 . 0 0 "[ . 1 . 2]" 1
962 1 118 CYS HB3 1 119 ASN H 3.700 . 4.400 3.997 2.987 4.357 . 0 0 "[ . 1 . 2]" 1
963 1 119 ASN HA 1 120 PHE H 4.300 . 5.200 2.933 2.257 3.350 . 0 0 "[ . 1 . 2]" 1
964 1 119 ASN HA 1 120 PHE HA 4.600 . 5.500 4.528 4.282 4.700 . 0 0 "[ . 1 . 2]" 1
965 1 119 ASN H 1 120 PHE H 3.200 . 3.700 2.863 2.359 3.730 0.030 15 0 "[ . 1 . 2]" 1
966 1 119 ASN H 1 120 PHE HB2 4.500 . 5.400 4.685 4.415 5.503 0.103 17 0 "[ . 1 . 2]" 1
967 1 120 PHE HA 1 121 GLU H 2.200 . 2.600 2.213 2.141 2.329 . 0 0 "[ . 1 . 2]" 1
968 1 120 PHE HA 1 121 GLU HB2 4.900 . 5.900 4.889 4.378 5.727 . 0 0 "[ . 1 . 2]" 1
969 1 120 PHE HA 1 121 GLU HG2 4.800 . 5.800 4.917 3.903 5.857 0.057 9 0 "[ . 1 . 2]" 1
970 1 120 PHE HA 1 121 GLU HG3 4.900 . 5.900 4.964 3.791 5.736 . 0 0 "[ . 1 . 2]" 1
971 1 120 PHE HB2 1 121 GLU H 4.200 . 5.000 4.145 3.356 4.402 . 0 0 "[ . 1 . 2]" 1
972 1 120 PHE HB3 1 121 GLU H 3.900 . 4.700 4.228 3.916 4.465 . 0 0 "[ . 1 . 2]" 1
973 1 120 PHE QD 1 121 GLU H 4.200 . 5.100 3.374 2.892 3.805 . 0 0 "[ . 1 . 2]" 1
974 1 120 PHE HD2 1 121 GLU HA 4.800 . 6.000 5.100 4.705 5.595 . 0 0 "[ . 1 . 2]" 1
975 1 120 PHE H 1 121 GLU H 4.500 . 5.400 4.398 3.848 4.610 . 0 0 "[ . 1 . 2]" 1
976 1 121 GLU HA 1 122 ALA H 2.600 . 3.100 2.144 2.068 2.226 . 0 0 "[ . 1 . 2]" 1
977 1 121 GLU HB2 1 122 ALA H 4.600 . 5.500 3.968 2.727 4.463 . 0 0 "[ . 1 . 2]" 1
978 1 121 GLU HB3 1 122 ALA H 3.700 . 4.400 3.601 3.133 4.100 . 0 0 "[ . 1 . 2]" 1
979 1 121 GLU HB3 1 122 ALA HA 4.900 . 5.900 4.678 4.084 5.697 . 0 0 "[ . 1 . 2]" 1
980 1 121 GLU HB3 1 122 ALA MB 4.700 . 5.700 5.117 4.774 5.611 . 0 0 "[ . 1 . 2]" 1
981 1 121 GLU HG3 1 122 ALA H 4.500 . 5.400 4.750 4.051 5.562 0.162 2 0 "[ . 1 . 2]" 1
982 1 121 GLU H 1 122 ALA H 4.200 . 5.000 4.446 4.335 4.554 . 0 0 "[ . 1 . 2]" 1
983 1 122 ALA HA 1 123 SER H 2.600 . 3.100 2.686 2.580 2.754 . 0 0 "[ . 1 . 2]" 1
984 1 122 ALA MB 1 123 SER H 2.700 . 3.300 1.965 1.850 2.100 . 0 0 "[ . 1 . 2]" 1
985 1 122 ALA MB 1 123 SER HA 4.500 . 5.400 4.161 4.066 4.252 . 0 0 "[ . 1 . 2]" 1
986 1 123 SER HA 1 124 ARG H 3.200 . 3.800 2.565 2.417 2.674 . 0 0 "[ . 1 . 2]" 1
987 1 123 SER HB3 1 124 ARG H 3.300 . 4.000 2.480 2.185 3.559 . 0 0 "[ . 1 . 2]" 1
988 1 123 SER H 1 124 ARG H 4.000 . 4.800 4.569 4.477 4.633 . 0 0 "[ . 1 . 2]" 1
989 1 124 ARG HA 1 125 ILE H 3.000 . 3.600 2.275 2.173 2.415 . 0 0 "[ . 1 . 2]" 1
990 1 124 ARG HB3 1 125 ILE H 4.700 . 5.600 3.641 2.575 4.257 . 0 0 "[ . 1 . 2]" 1
991 1 125 ILE HA 1 126 CYS H 3.000 . 3.600 2.182 2.144 2.208 . 0 0 "[ . 1 . 2]" 1
992 1 125 ILE MG 1 126 CYS H 3.600 . 4.400 2.681 2.499 2.835 . 0 0 "[ . 1 . 2]" 1
993 1 126 CYS HA 1 127 LYS H 2.700 . 3.200 2.165 2.109 2.246 . 0 0 "[ . 1 . 2]" 1
994 1 126 CYS HB2 1 127 LYS H 3.800 . 4.600 4.237 3.922 4.434 . 0 0 "[ . 1 . 2]" 1
995 1 126 CYS HB3 1 127 LYS H 3.900 . 4.700 3.487 2.733 4.046 . 0 0 "[ . 1 . 2]" 1
996 1 127 LYS HA 1 128 ILE H 2.700 . 3.200 2.150 2.090 2.200 . 0 0 "[ . 1 . 2]" 1
997 1 127 LYS HA 1 128 ILE MG 4.900 . 6.000 4.204 3.581 5.467 . 0 0 "[ . 1 . 2]" 1
998 1 127 LYS HB2 1 128 ILE H 3.900 . 4.600 3.861 2.979 4.333 . 0 0 "[ . 1 . 2]" 1
999 1 127 LYS HB3 1 128 ILE H 3.700 . 4.400 4.252 4.072 4.470 0.070 6 0 "[ . 1 . 2]" 1
1000 1 127 LYS QE 1 128 ILE H 4.000 . 4.800 4.544 3.654 4.818 0.018 11 0 "[ . 1 . 2]" 1
1001 1 128 ILE HA 1 129 PRO HD2 3.300 . 4.000 2.414 1.997 2.740 . 0 0 "[ . 1 . 2]" 1
1002 1 128 ILE HA 1 129 PRO HD3 3.500 . 4.200 2.171 1.861 2.626 . 0 0 "[ . 1 . 2]" 1
1003 1 128 ILE HA 1 129 PRO HG2 4.400 . 5.300 4.387 4.185 4.533 . 0 0 "[ . 1 . 2]" 1
1004 1 128 ILE HA 1 129 PRO HG3 4.200 . 5.000 4.270 4.039 4.528 . 0 0 "[ . 1 . 2]" 1
1005 1 128 ILE MD 1 129 PRO HD2 4.800 . 5.900 3.677 1.857 4.435 . 0 0 "[ . 1 . 2]" 1
1006 1 128 ILE MD 1 129 PRO HG2 5.300 . 6.300 5.065 3.772 6.304 0.004 14 0 "[ . 1 . 2]" 1
1007 1 128 ILE MD 1 129 PRO HG3 5.800 . 7.100 5.878 4.235 6.786 . 0 0 "[ . 1 . 2]" 1
1008 1 128 ILE HG12 1 129 PRO HD2 4.900 . 5.900 2.703 2.056 4.161 . 0 0 "[ . 1 . 2]" 1
1009 1 128 ILE HG12 1 129 PRO HD3 4.900 . 5.900 3.820 3.298 4.500 . 0 0 "[ . 1 . 2]" 1
1010 1 128 ILE HG13 1 129 PRO HD2 4.600 . 5.500 2.818 1.865 5.046 . 0 0 "[ . 1 . 2]" 1
1011 1 128 ILE HG13 1 129 PRO HD3 4.300 . 5.200 3.811 3.059 5.278 0.078 10 0 "[ . 1 . 2]" 1
1012 1 128 ILE MG 1 129 PRO HD2 4.300 . 5.300 3.559 1.978 4.134 . 0 0 "[ . 1 . 2]" 1
1013 1 128 ILE MG 1 129 PRO HD3 4.400 . 5.400 4.257 3.168 4.829 . 0 0 "[ . 1 . 2]" 1
1014 1 128 ILE MG 1 129 PRO HG2 4.900 . 6.000 4.988 3.214 5.853 . 0 0 "[ . 1 . 2]" 1
1015 1 128 ILE MG 1 129 PRO HG3 5.200 . 6.300 5.405 4.181 5.913 . 0 0 "[ . 1 . 2]" 1
1016 1 129 PRO HA 1 130 GLY H 2.500 . 3.000 2.348 2.188 2.406 . 0 0 "[ . 1 . 2]" 1
1017 1 129 PRO HB2 1 130 GLY H 3.400 . 4.100 3.063 2.657 3.721 . 0 0 "[ . 1 . 2]" 1
1018 1 129 PRO HB3 1 130 GLY H 3.500 . 4.200 3.285 2.850 3.699 . 0 0 "[ . 1 . 2]" 1
1019 1 130 GLY HA2 1 131 THR H 3.000 . 3.700 2.649 2.212 3.531 . 0 0 "[ . 1 . 2]" 1
1020 1 130 GLY HA3 1 131 THR H 3.100 . 3.800 3.424 2.561 3.560 . 0 0 "[ . 1 . 2]" 1
1021 1 130 GLY H 1 131 THR H 3.600 . 4.400 3.607 2.706 4.178 . 0 0 "[ . 1 . 2]" 1
1022 1 131 THR H 1 132 THR H 3.000 . 3.600 2.722 2.162 3.297 . 0 0 "[ . 1 . 2]" 1
1023 1 132 THR HA 1 133 LEU QD 5.400 . 6.500 4.541 3.683 5.140 . 0 0 "[ . 1 . 2]" 1
1024 1 132 THR MG 1 133 LEU QD 4.800 . 5.900 3.427 1.880 4.770 . 0 0 "[ . 1 . 2]" 1
1025 1 133 LEU HA 1 134 ASN H 3.200 . 3.900 3.471 3.411 3.529 . 0 0 "[ . 1 . 2]" 1
1026 1 133 LEU HB2 1 134 ASN H 3.100 . 3.600 2.966 2.517 3.698 0.098 20 0 "[ . 1 . 2]" 1
1027 1 133 LEU HB2 1 134 ASN HA 4.300 . 5.100 4.478 4.096 4.718 . 0 0 "[ . 1 . 2]" 1
1028 1 133 LEU QD 1 134 ASN HA 5.200 . 6.200 5.077 3.589 5.276 . 0 0 "[ . 1 . 2]" 1
1029 1 133 LEU QD 1 134 ASN QB 5.000 . 5.900 4.770 2.506 5.426 . 0 0 "[ . 1 . 2]" 1
1030 1 133 LEU H 1 134 ASN H 2.800 . 3.400 2.467 2.157 2.755 . 0 0 "[ . 1 . 2]" 1
1031 1 134 ASN HA 1 135 ALA H 3.200 . 3.900 3.504 3.358 3.557 . 0 0 "[ . 1 . 2]" 1
1032 1 133 LEU HB2 1 134 ASN QB 4.200 . 4.900 4.361 3.966 4.813 . 0 0 "[ . 1 . 2]" 1
1033 1 134 ASN QB 1 135 ALA H 3.100 . 3.600 2.588 2.256 3.138 . 0 0 "[ . 1 . 2]" 1
1034 1 134 ASN QB 1 135 ALA HA 4.000 . 4.800 4.097 3.862 4.309 . 0 0 "[ . 1 . 2]" 1
1035 1 134 ASN QB 1 135 ALA MB 4.800 . 5.900 3.540 3.298 3.780 . 0 0 "[ . 1 . 2]" 1
1036 1 134 ASN H 1 135 ALA H 2.200 . 2.600 2.334 2.217 2.509 . 0 0 "[ . 1 . 2]" 1
1037 1 135 ALA HA 1 136 GLU H 2.500 . 3.000 2.915 2.512 3.277 0.277 11 0 "[ . 1 . 2]" 1
1038 1 135 ALA MB 1 136 GLU H 2.900 . 3.600 3.611 3.334 3.696 0.096 2 0 "[ . 1 . 2]" 1
1039 1 136 GLU HA 1 137 ASN H 2.900 . 3.600 3.560 3.497 3.588 . 0 0 "[ . 1 . 2]" 1
1040 1 136 GLU QG 1 137 ASN H 3.400 . 4.100 3.064 1.757 4.137 0.043 15 0 "[ . 1 . 2]" 1
1041 1 136 GLU QB 1 137 ASN HA 3.900 . 4.700 4.016 3.740 4.467 . 0 0 "[ . 1 . 2]" 1
1042 1 137 ASN HA 1 138 LEU H 3.200 . 3.800 3.466 3.402 3.522 . 0 0 "[ . 1 . 2]" 1
1043 1 137 ASN QB 1 138 LEU H 3.100 . 3.600 3.096 2.675 3.624 0.024 4 0 "[ . 1 . 2]" 1
1044 1 137 ASN QB 1 138 LEU HA 4.200 . 5.100 4.228 3.948 4.718 . 0 0 "[ . 1 . 2]" 1
1045 1 137 ASN H 1 138 LEU H 2.300 . 2.800 2.412 2.176 2.539 . 0 0 "[ . 1 . 2]" 1
1046 1 138 LEU HB2 1 139 TYR H 3.000 . 3.600 3.471 2.369 3.660 0.060 6 0 "[ . 1 . 2]" 1
1047 1 138 LEU HB3 1 139 TYR H 3.000 . 3.600 2.500 2.253 3.412 . 0 0 "[ . 1 . 2]" 1
1048 1 138 LEU QD 1 139 TYR H 5.000 . 6.100 3.382 3.145 3.967 . 0 0 "[ . 1 . 2]" 1
1049 1 138 LEU QD 1 139 TYR QB 5.000 . 6.000 3.848 3.433 4.870 . 0 0 "[ . 1 . 2]" 1
1050 1 139 TYR HA 1 140 PHE H 2.900 . 3.500 3.458 3.428 3.491 . 0 0 "[ . 1 . 2]" 1
1051 1 138 LEU H 1 139 TYR QB 4.100 . 4.900 4.458 4.268 4.702 . 0 0 "[ . 1 . 2]" 1
1052 1 139 TYR QD 1 140 PHE H 3.800 . 4.700 4.179 3.901 4.745 0.045 13 0 "[ . 1 . 2]" 1
1053 1 139 TYR QD 1 140 PHE HA 4.000 . 4.900 3.987 3.631 5.000 0.100 13 0 "[ . 1 . 2]" 1
1054 1 139 TYR H 1 140 PHE H 2.500 . 3.000 2.477 2.352 2.601 . 0 0 "[ . 1 . 2]" 1
1055 1 140 PHE HA 1 141 GLN H 3.200 . 3.900 3.486 3.443 3.536 . 0 0 "[ . 1 . 2]" 1
1056 1 140 PHE HB2 1 141 GLN H 3.400 . 4.200 3.965 3.802 4.126 . 0 0 "[ . 1 . 2]" 1
1057 1 140 PHE HB3 1 141 GLN H 3.000 . 3.600 2.806 2.576 3.026 . 0 0 "[ . 1 . 2]" 1
1058 1 140 PHE QD 1 141 GLN HA 4.500 . 5.500 3.888 3.446 4.028 . 0 0 "[ . 1 . 2]" 1
1059 1 141 GLN HA 1 142 SER H 3.300 . 4.100 3.366 3.291 3.529 . 0 0 "[ . 1 . 2]" 1
1060 1 141 GLN HB2 1 142 SER H 3.500 . 4.200 3.225 2.543 3.533 . 0 0 "[ . 1 . 2]" 1
1061 1 141 GLN HB2 1 142 SER HB3 4.500 . 5.300 5.159 3.826 5.371 0.071 20 0 "[ . 1 . 2]" 1
1062 1 141 GLN HB3 1 142 SER H 3.600 . 4.300 4.024 3.573 4.280 . 0 0 "[ . 1 . 2]" 1
1063 1 141 GLN HB3 1 142 SER HB2 4.500 . 5.500 5.434 4.969 5.696 0.196 14 0 "[ . 1 . 2]" 1
1064 1 141 GLN H 1 142 SER H 2.700 . 3.200 2.424 2.293 2.545 . 0 0 "[ . 1 . 2]" 1
1065 1 4 PRO HG2 1 7 TRP HE1 4.400 . 5.300 3.584 2.485 5.105 . 0 0 "[ . 1 . 2]" 1
1066 1 5 ILE HA 1 7 TRP H 4.000 . 4.700 4.127 3.608 4.778 0.078 1 0 "[ . 1 . 2]" 1
1067 1 9 ALA HA 1 14 CYS HA 3.000 . 3.600 2.202 1.870 2.475 . 0 0 "[ . 1 . 2]" 1
1068 1 9 ALA MB 1 14 CYS HA 3.900 . 4.800 3.661 3.393 4.009 . 0 0 "[ . 1 . 2]" 1
1069 1 9 ALA MB 1 14 CYS QB 4.200 . 5.100 3.912 3.477 4.392 . 0 0 "[ . 1 . 2]" 1
1070 1 10 PHE HB2 1 15 TYR QD 4.100 . 5.000 3.520 3.013 3.979 . 0 0 "[ . 1 . 2]" 1
1071 1 10 PHE HB2 1 15 TYR QE 3.600 . 4.300 3.069 2.006 4.300 0.000 8 0 "[ . 1 . 2]" 1
1072 1 10 PHE HB3 1 15 TYR QE 4.700 . 5.800 1.835 1.701 3.009 0.099 11 0 "[ . 1 . 2]" 1
1073 1 10 PHE H 1 14 CYS HA 3.500 . 4.200 3.165 2.624 3.567 . 0 0 "[ . 1 . 2]" 1
1074 1 10 PHE H 1 15 TYR QD 4.000 . 5.000 3.586 2.978 4.255 . 0 0 "[ . 1 . 2]" 1
1075 1 10 PHE H 1 15 TYR QE 3.500 . 4.300 3.110 2.271 4.312 0.012 8 0 "[ . 1 . 2]" 1
1076 1 13 ASN HB2 1 15 TYR QE 3.600 . 4.300 2.586 2.207 2.969 . 0 0 "[ . 1 . 2]" 1
1077 1 13 ASN HB3 1 15 TYR QE 3.200 . 3.700 3.462 3.196 3.846 0.146 8 0 "[ . 1 . 2]" 1
1078 1 13 ASN H 1 15 TYR QE 4.000 . 4.900 4.042 3.242 4.685 . 0 0 "[ . 1 . 2]" 1
1079 1 16 PHE HB2 1 18 LEU QD 4.700 . 5.600 4.351 4.008 4.593 . 0 0 "[ . 1 . 2]" 1
1080 1 16 PHE HD2 1 18 LEU QD 3.600 . 4.400 2.007 1.690 2.351 0.110 19 0 "[ . 1 . 2]" 1
1081 1 16 PHE HD2 1 18 LEU HG 4.800 . 5.900 3.424 2.335 4.610 . 0 0 "[ . 1 . 2]" 1
1082 1 16 PHE HE2 1 18 LEU QD . . 4.300 2.328 1.847 2.840 . 0 0 "[ . 1 . 2]" 1
1083 1 16 PHE HZ 1 18 LEU QD 4.000 . 4.900 3.983 3.157 4.596 . 0 0 "[ . 1 . 2]" 1
1084 1 17 PRO HB2 1 19 THR MG 4.200 . 5.100 4.218 3.832 4.697 . 0 0 "[ . 1 . 2]" 1
1085 1 18 LEU HA 1 20 ASP H 3.900 . 4.800 3.796 3.274 4.711 . 0 0 "[ . 1 . 2]" 1
1086 1 18 LEU HB2 1 20 ASP H 4.000 . 4.800 3.431 2.686 3.963 . 0 0 "[ . 1 . 2]" 1
1087 1 18 LEU HB3 1 20 ASP H 3.600 . 4.300 2.907 2.088 4.453 0.153 4 0 "[ . 1 . 2]" 1
1088 1 18 LEU QD 1 20 ASP H 5.000 . 5.900 3.850 3.322 4.831 . 0 0 "[ . 1 . 2]" 1
1089 1 22 LYS HA 1 26 GLU H 5.100 . 6.100 5.572 5.327 5.865 . 0 0 "[ . 1 . 2]" 1
1090 1 22 LYS HA 1 26 GLU HB3 4.200 . 5.000 4.228 3.307 4.980 . 0 0 "[ . 1 . 2]" 1
1091 1 22 LYS HA 1 27 SER H 4.400 . 5.200 5.250 4.973 5.345 0.145 17 0 "[ . 1 . 2]" 1
1092 1 23 THR HB 1 25 ALA H 4.000 . 4.800 2.878 2.580 3.290 . 0 0 "[ . 1 . 2]" 1
1093 1 23 THR HB 1 25 ALA MB 4.100 . 5.000 3.583 3.242 4.261 . 0 0 "[ . 1 . 2]" 1
1094 1 23 THR MG 1 26 GLU HG2 4.200 . 5.100 4.364 3.159 5.124 0.024 17 0 "[ . 1 . 2]" 1
1095 1 23 THR MG 1 26 GLU HG3 4.000 . 4.800 3.812 2.866 4.833 0.033 9 0 "[ . 1 . 2]" 1
1096 1 23 THR H 1 26 GLU H 4.000 . 4.800 3.726 3.404 4.065 . 0 0 "[ . 1 . 2]" 1
1097 1 23 THR H 1 26 GLU HB2 3.200 . 3.900 2.406 1.838 2.722 . 0 0 "[ . 1 . 2]" 1
1098 1 23 THR H 1 26 GLU HG2 4.200 . 5.000 4.120 3.059 4.957 . 0 0 "[ . 1 . 2]" 1
1099 1 23 THR H 1 26 GLU HG3 3.200 . 3.800 3.379 2.622 3.839 0.039 19 0 "[ . 1 . 2]" 1
1100 1 24 TRP HA 1 27 SER H 3.600 . 4.300 3.539 3.239 3.926 . 0 0 "[ . 1 . 2]" 1
1101 1 25 ALA HA 1 28 GLU H 4.100 . 4.900 3.658 3.439 3.869 . 0 0 "[ . 1 . 2]" 1
1102 1 25 ALA HA 1 28 GLU QB 3.700 . 4.400 3.172 2.544 3.862 . 0 0 "[ . 1 . 2]" 1
1103 1 25 ALA HA 1 28 GLU QG 4.900 . 5.900 4.664 2.046 5.347 . 0 0 "[ . 1 . 2]" 1
1104 1 25 ALA HA 1 29 ARG H 4.100 . 5.000 4.432 4.215 4.600 . 0 0 "[ . 1 . 2]" 1
1105 1 25 ALA HA 1 29 ARG HB2 5.300 . 6.300 5.611 4.511 6.195 . 0 0 "[ . 1 . 2]" 1
1106 1 25 ALA MB 1 27 SER H 4.000 . 4.800 4.412 4.289 4.541 . 0 0 "[ . 1 . 2]" 1
1107 1 25 ALA MB 1 29 ARG QD 3.900 . 4.800 3.982 3.352 4.830 0.030 19 0 "[ . 1 . 2]" 1
1108 1 26 GLU HA 1 29 ARG HB2 2.500 . 3.000 2.406 1.786 3.039 0.039 1 0 "[ . 1 . 2]" 1
1109 1 26 GLU HA 1 29 ARG QD 3.700 . 4.400 3.061 1.881 4.549 0.149 19 0 "[ . 1 . 2]" 1
1110 1 26 GLU HA 1 29 ARG HG3 4.000 . 4.700 3.377 2.713 4.883 0.183 12 0 "[ . 1 . 2]" 1
1111 1 26 GLU HB2 1 28 GLU H 4.800 . 5.700 5.236 4.870 5.564 . 0 0 "[ . 1 . 2]" 1
1112 1 26 GLU HB2 1 29 ARG H 4.700 . 5.600 5.309 5.082 5.568 . 0 0 "[ . 1 . 2]" 1
1113 1 26 GLU HG2 1 29 ARG QB 5.000 . 5.800 4.528 3.677 5.513 . 0 0 "[ . 1 . 2]" 1
1114 1 26 GLU H 1 28 GLU H 4.200 . 5.000 4.266 4.031 4.533 . 0 0 "[ . 1 . 2]" 1
1115 1 27 SER HA 1 30 ASN H 3.700 . 4.400 3.572 3.024 3.827 . 0 0 "[ . 1 . 2]" 1
1116 1 27 SER HA 1 30 ASN HB2 4.500 . 5.400 4.092 3.065 4.742 . 0 0 "[ . 1 . 2]" 1
1117 1 28 GLU HA 1 31 CYS H 3.600 . 4.300 3.402 2.844 4.152 . 0 0 "[ . 1 . 2]" 1
1118 1 29 ARG HA 1 31 CYS H 3.800 . 4.600 4.407 4.076 4.696 0.096 17 0 "[ . 1 . 2]" 1
1119 1 31 CYS HA 1 33 GLY H 3.400 . 4.100 3.636 3.232 4.120 0.020 13 0 "[ . 1 . 2]" 1
1120 1 31 CYS HA 1 34 MET H 4.000 . 4.800 3.433 2.914 4.201 . 0 0 "[ . 1 . 2]" 1
1121 1 31 CYS HA 1 34 MET HB2 5.200 . 6.200 4.210 3.116 6.292 0.092 19 0 "[ . 1 . 2]" 1
1122 1 31 CYS HA 1 34 MET HB3 4.700 . 5.700 5.052 3.881 5.468 . 0 0 "[ . 1 . 2]" 1
1123 1 31 CYS HA 1 34 MET ME 2.500 . 3.100 2.310 1.858 2.588 . 0 0 "[ . 1 . 2]" 1
1124 1 31 CYS HA 1 34 MET HG3 4.600 . 5.500 3.842 3.071 4.779 . 0 0 "[ . 1 . 2]" 1
1125 1 31 CYS HA 1 36 ALA MB 3.800 . 4.700 3.647 3.226 4.049 . 0 0 "[ . 1 . 2]" 1
1126 1 31 CYS HB2 1 36 ALA MB 4.200 . 4.800 4.564 3.891 4.822 0.022 5 0 "[ . 1 . 2]" 1
1127 1 31 CYS HB3 1 36 ALA MB 4.500 . 5.500 3.203 2.640 4.326 . 0 0 "[ . 1 . 2]" 1
1128 1 31 CYS H 1 34 MET ME 4.400 . 5.400 4.261 3.833 4.768 . 0 0 "[ . 1 . 2]" 1
1129 1 31 CYS H 1 36 ALA MB 4.900 . 5.900 5.803 5.472 6.040 0.140 4 0 "[ . 1 . 2]" 1
1130 1 32 SER HA 1 34 MET H 4.000 . 4.800 3.944 3.630 4.212 . 0 0 "[ . 1 . 2]" 1
1131 1 32 SER HA 1 35 GLY H 3.500 . 4.200 3.524 3.086 4.200 0.000 17 0 "[ . 1 . 2]" 1
1132 1 32 SER HA 1 36 ALA MB 4.400 . 5.400 4.071 3.047 4.787 . 0 0 "[ . 1 . 2]" 1
1133 1 32 SER HB2 1 37 HIS HA 4.600 . 5.500 4.883 3.283 5.554 0.054 17 0 "[ . 1 . 2]" 1
1134 1 32 SER HB2 1 37 HIS HE1 4.400 . 5.200 4.639 2.810 5.262 0.062 19 0 "[ . 1 . 2]" 1
1135 1 32 SER HB3 1 37 HIS HA 4.900 . 5.900 4.980 2.986 5.901 0.001 3 0 "[ . 1 . 2]" 1
1136 1 32 SER HB3 1 37 HIS HE1 5.000 . 6.000 4.231 3.231 5.377 . 0 0 "[ . 1 . 2]" 1
1137 1 33 GLY QA 1 35 GLY H 4.700 . 5.600 3.366 3.181 3.552 . 0 0 "[ . 1 . 2]" 1
1138 1 33 GLY H 1 35 GLY H 3.800 . 4.600 4.046 3.841 4.265 . 0 0 "[ . 1 . 2]" 1
1139 1 34 MET HB2 1 36 ALA H 4.700 . 5.600 3.614 2.658 5.613 0.013 19 0 "[ . 1 . 2]" 1
1140 1 34 MET HB2 1 36 ALA MB 4.100 . 5.000 3.177 2.526 4.434 . 0 0 "[ . 1 . 2]" 1
1141 1 34 MET HB3 1 36 ALA MB 4.300 . 5.300 3.882 3.450 4.638 . 0 0 "[ . 1 . 2]" 1
1142 1 34 MET ME 1 36 ALA H 5.100 . 6.200 4.465 3.882 5.373 . 0 0 "[ . 1 . 2]" 1
1143 1 34 MET ME 1 36 ALA MB 3.500 . 4.400 3.012 2.532 3.942 . 0 0 "[ . 1 . 2]" 1
1144 1 34 MET H 1 36 ALA H 3.100 . 3.700 3.308 3.046 3.722 0.022 6 0 "[ . 1 . 2]" 1
1145 1 38 LEU HB3 1 40 THR MG 4.200 . 5.000 4.490 3.958 5.087 0.087 19 0 "[ . 1 . 2]" 1
1146 1 39 MET ME 1 41 ILE HA 3.600 . 4.400 2.644 1.968 3.140 . 0 0 "[ . 1 . 2]" 1
1147 1 39 MET ME 1 41 ILE HB 3.600 . 4.300 4.274 4.109 4.532 0.232 13 0 "[ . 1 . 2]" 1
1148 1 39 MET ME 1 41 ILE MG 3.800 . 4.800 3.136 2.855 3.415 . 0 0 "[ . 1 . 2]" 1
1149 1 39 MET ME 1 42 SER H 5.100 . 6.200 4.115 3.050 4.718 . 0 0 "[ . 1 . 2]" 1
1150 1 39 MET HG2 1 41 ILE MD 4.500 . 5.500 3.984 2.864 5.623 0.123 20 0 "[ . 1 . 2]" 1
1151 1 41 ILE HA 1 43 THR H 3.400 . 4.100 3.697 3.384 4.018 . 0 0 "[ . 1 . 2]" 1
1152 1 41 ILE HA 1 46 GLU QB 3.700 . 4.400 3.670 2.419 4.353 . 0 0 "[ . 1 . 2]" 1
1153 1 41 ILE HA 1 46 GLU QG 3.900 . 4.700 3.454 2.551 4.247 . 0 0 "[ . 1 . 2]" 1
1154 1 41 ILE MD 1 44 GLU HA 4.900 . 6.000 5.246 4.584 5.750 . 0 0 "[ . 1 . 2]" 1
1155 1 41 ILE MG 1 43 THR H 3.300 . 4.100 2.913 2.594 3.183 . 0 0 "[ . 1 . 2]" 1
1156 1 43 THR HB 1 45 ALA MB 3.600 . 4.400 3.393 2.989 4.423 0.023 10 0 "[ . 1 . 2]" 1
1157 1 43 THR MG 1 45 ALA H 4.100 . 5.000 4.137 3.147 4.444 . 0 0 "[ . 1 . 2]" 1
1158 1 43 THR MG 1 45 ALA MB 3.800 . 4.800 3.940 2.648 4.398 . 0 0 "[ . 1 . 2]" 1
1159 1 43 THR MG 1 46 GLU H 4.700 . 5.700 3.945 1.758 4.319 0.042 10 0 "[ . 1 . 2]" 1
1160 1 43 THR MG 1 46 GLU QB 4.500 . 5.500 3.623 1.778 4.362 0.022 10 0 "[ . 1 . 2]" 1
1161 1 43 THR MG 1 46 GLU QG 4.900 . 6.000 5.030 3.546 5.637 . 0 0 "[ . 1 . 2]" 1
1162 1 43 THR H 1 46 GLU H 4.300 . 5.200 3.871 3.211 4.332 . 0 0 "[ . 1 . 2]" 1
1163 1 44 GLU HA 1 46 GLU H 4.400 . 5.300 4.355 4.061 4.547 . 0 0 "[ . 1 . 2]" 1
1164 1 44 GLU HA 1 47 GLN H 3.800 . 4.600 3.435 3.138 3.729 . 0 0 "[ . 1 . 2]" 1
1165 1 44 GLU HA 1 48 ASN HD21 4.200 . 5.000 4.098 3.296 5.018 0.018 14 0 "[ . 1 . 2]" 1
1166 1 44 GLU HG2 1 48 ASN HD21 4.300 . 5.200 5.074 4.702 5.268 0.068 4 0 "[ . 1 . 2]" 1
1167 1 44 GLU HG2 1 48 ASN HD22 4.700 . 5.600 5.382 4.561 5.675 0.075 7 0 "[ . 1 . 2]" 1
1168 1 45 ALA HA 1 48 ASN H 3.500 . 4.200 3.339 3.047 3.460 . 0 0 "[ . 1 . 2]" 1
1169 1 45 ALA HA 1 48 ASN HB3 3.900 . 4.500 3.855 3.228 4.102 . 0 0 "[ . 1 . 2]" 1
1170 1 45 ALA HA 1 48 ASN HD21 4.300 . 5.200 2.839 1.721 3.268 0.079 1 0 "[ . 1 . 2]" 1
1171 1 45 ALA HA 1 48 ASN HD22 3.900 . 4.700 4.098 1.854 4.770 0.070 16 0 "[ . 1 . 2]" 1
1172 1 45 ALA MB 1 47 GLN H 4.000 . 4.900 4.666 4.538 4.834 . 0 0 "[ . 1 . 2]" 1
1173 1 45 ALA MB 1 48 ASN H 4.100 . 5.000 4.573 4.446 4.667 . 0 0 "[ . 1 . 2]" 1
1174 1 45 ALA MB 1 48 ASN HB3 4.200 . 5.100 5.033 4.737 5.161 0.061 8 0 "[ . 1 . 2]" 1
1175 1 45 ALA MB 1 48 ASN QB 3.500 . 4.300 3.926 3.569 4.582 0.282 1 0 "[ . 1 . 2]" 1
1176 1 46 GLU HA 1 49 PHE H 3.900 . 4.700 3.773 3.465 4.166 . 0 0 "[ . 1 . 2]" 1
1177 1 46 GLU HA 1 49 PHE HB2 3.800 . 4.600 3.250 2.729 3.623 . 0 0 "[ . 1 . 2]" 1
1178 1 41 ILE MD 1 46 GLU QB 4.200 . 5.100 4.603 3.780 5.041 . 0 0 "[ . 1 . 2]" 1
1179 1 42 SER H 1 46 GLU QB 3.500 . 4.200 3.314 2.885 3.586 . 0 0 "[ . 1 . 2]" 1
1180 1 43 THR H 1 46 GLU QB 3.000 . 3.600 2.363 1.978 2.637 . 0 0 "[ . 1 . 2]" 1
1181 1 46 GLU QB 1 48 ASN H 4.300 . 5.200 4.677 4.487 4.843 . 0 0 "[ . 1 . 2]" 1
1182 1 41 ILE MG 1 46 GLU QG 4.500 . 5.500 3.332 2.654 4.287 . 0 0 "[ . 1 . 2]" 1
1183 1 43 THR H 1 46 GLU QG 3.800 . 4.600 3.846 2.939 4.197 . 0 0 "[ . 1 . 2]" 1
1184 1 47 GLN HA 1 50 ILE H 4.400 . 5.300 3.608 3.334 4.069 . 0 0 "[ . 1 . 2]" 1
1185 1 47 GLN HA 1 50 ILE MG 3.700 . 4.500 2.059 1.792 2.499 0.008 18 0 "[ . 1 . 2]" 1
1186 1 47 GLN HA 1 51 ILE MG 4.900 . 6.000 3.406 3.168 3.674 . 0 0 "[ . 1 . 2]" 1
1187 1 47 GLN HB2 1 50 ILE MG 5.300 . 6.500 4.147 3.833 4.688 . 0 0 "[ . 1 . 2]" 1
1188 1 47 GLN HG2 1 50 ILE MG 4.400 . 5.400 3.905 3.210 5.216 . 0 0 "[ . 1 . 2]" 1
1189 1 47 GLN HG2 1 51 ILE MD 4.000 . 4.900 3.296 2.362 4.772 . 0 0 "[ . 1 . 2]" 1
1190 1 47 GLN HG2 1 51 ILE MG 4.300 . 5.300 2.833 2.247 4.456 . 0 0 "[ . 1 . 2]" 1
1191 1 47 GLN HG3 1 50 ILE MG 4.500 . 5.500 3.832 3.013 5.437 . 0 0 "[ . 1 . 2]" 1
1192 1 47 GLN HG3 1 51 ILE MD 4.200 . 5.100 4.224 3.098 5.106 0.006 14 0 "[ . 1 . 2]" 1
1193 1 47 GLN HG3 1 51 ILE MG 4.100 . 5.000 3.203 2.546 4.679 . 0 0 "[ . 1 . 2]" 1
1194 1 48 ASN HA 1 51 ILE H 3.800 . 4.600 3.946 3.594 4.243 . 0 0 "[ . 1 . 2]" 1
1195 1 48 ASN HA 1 51 ILE HB 5.100 . 6.000 5.105 4.741 5.435 . 0 0 "[ . 1 . 2]" 1
1196 1 48 ASN HA 1 51 ILE MD 3.200 . 3.900 2.242 2.078 2.482 . 0 0 "[ . 1 . 2]" 1
1197 1 48 ASN HA 1 51 ILE MG 4.200 . 5.100 3.640 3.300 3.907 . 0 0 "[ . 1 . 2]" 1
1198 1 48 ASN HB2 1 51 ILE MD 4.000 . 4.900 4.488 2.989 4.941 0.041 12 0 "[ . 1 . 2]" 1
1199 1 45 ALA HA 1 48 ASN QB 3.100 . 3.700 2.506 2.157 3.283 . 0 0 "[ . 1 . 2]" 1
1200 1 48 ASN QB 1 51 ILE MD 4.600 . 5.600 3.675 2.881 4.048 . 0 0 "[ . 1 . 2]" 1
1201 1 49 PHE HA 1 52 GLN HE21 3.300 . 4.000 2.581 1.769 4.041 0.041 9 0 "[ . 1 . 2]" 1
1202 1 49 PHE HA 1 52 GLN HE22 3.000 . 3.600 3.121 2.759 3.646 0.046 13 0 "[ . 1 . 2]" 1
1203 1 49 PHE HB2 1 53 PHE HE2 4.300 . 5.100 4.596 4.202 5.051 . 0 0 "[ . 1 . 2]" 1
1204 1 49 PHE HB3 1 53 PHE HE2 3.200 . 3.800 3.074 2.562 3.826 0.026 2 0 "[ . 1 . 2]" 1
1205 1 49 PHE HB3 1 53 PHE HZ 4.400 . 5.300 4.804 4.272 5.384 0.084 9 0 "[ . 1 . 2]" 1
1206 1 50 ILE HA 1 53 PHE H 4.100 . 4.900 3.401 3.227 3.596 . 0 0 "[ . 1 . 2]" 1
1207 1 50 ILE HA 1 53 PHE HD2 3.500 . 4.200 1.857 1.725 2.003 0.075 9 0 "[ . 1 . 2]" 1
1208 1 50 ILE HA 1 53 PHE HE2 4.300 . 5.400 3.277 2.461 3.541 . 0 0 "[ . 1 . 2]" 1
1209 1 50 ILE MD 1 53 PHE HA 5.300 . 6.500 5.140 4.805 5.493 . 0 0 "[ . 1 . 2]" 1
1210 1 50 ILE MD 1 53 PHE HB2 4.600 . 5.600 2.538 2.137 2.959 . 0 0 "[ . 1 . 2]" 1
1211 1 50 ILE MD 1 53 PHE HB3 4.400 . 5.400 3.758 3.290 4.224 . 0 0 "[ . 1 . 2]" 1
1212 1 50 ILE MD 1 53 PHE HD2 3.600 . 4.400 2.095 1.779 2.513 0.021 13 0 "[ . 1 . 2]" 1
1213 1 50 ILE MD 1 53 PHE HE2 4.000 . 5.100 3.733 3.275 4.056 . 0 0 "[ . 1 . 2]" 1
1214 1 50 ILE MD 1 53 PHE HZ 4.500 . 5.400 5.419 5.180 5.471 0.071 4 0 "[ . 1 . 2]" 1
1215 1 50 ILE MD 1 54 LEU QD 4.200 . 5.200 2.925 2.712 3.119 . 0 0 "[ . 1 . 2]" 1
1216 1 50 ILE HG12 1 54 LEU QD 4.300 . 5.300 3.088 2.832 3.480 . 0 0 "[ . 1 . 2]" 1
1217 1 50 ILE MG 1 53 PHE HD2 5.200 . 6.500 4.644 4.513 4.724 . 0 0 "[ . 1 . 2]" 1
1218 1 50 ILE MG 1 54 LEU QD 4.100 . 5.100 2.575 2.342 3.015 . 0 0 "[ . 1 . 2]" 1
1219 1 50 ILE H 1 53 PHE QE 4.100 . 5.000 4.834 4.150 5.042 0.042 12 0 "[ . 1 . 2]" 1
1220 1 51 ILE HA 1 53 PHE HB2 4.900 . 5.800 5.168 4.993 5.369 . 0 0 "[ . 1 . 2]" 1
1221 1 51 ILE HA 1 54 LEU H 3.400 . 4.100 3.034 2.886 3.292 . 0 0 "[ . 1 . 2]" 1
1222 1 51 ILE HA 1 54 LEU QD 4.000 . 4.900 2.066 1.905 2.241 . 0 0 "[ . 1 . 2]" 1
1223 1 51 ILE HA 1 54 LEU HG 4.100 . 4.900 2.455 2.054 2.772 . 0 0 "[ . 1 . 2]" 1
1224 1 51 ILE HB 1 54 LEU QD 4.000 . 4.900 3.506 2.902 3.951 . 0 0 "[ . 1 . 2]" 1
1225 1 51 ILE MD 1 54 LEU QD 5.400 . 6.700 4.682 4.345 5.075 . 0 0 "[ . 1 . 2]" 1
1226 1 51 ILE MG 1 54 LEU H 5.200 . 6.300 4.878 4.754 5.091 . 0 0 "[ . 1 . 2]" 1
1227 1 51 ILE MG 1 54 LEU QD 3.700 . 4.600 2.250 1.949 2.807 . 0 0 "[ . 1 . 2]" 1
1228 1 51 ILE MG 1 54 LEU HG 4.000 . 4.900 3.915 3.638 4.297 . 0 0 "[ . 1 . 2]" 1
1229 1 51 ILE H 1 54 LEU QD 5.400 . 6.600 3.885 3.763 4.077 . 0 0 "[ . 1 . 2]" 1
1230 1 52 GLN HB3 1 54 LEU H 4.600 . 5.700 5.599 5.444 5.739 0.039 12 0 "[ . 1 . 2]" 1
1231 1 52 GLN H 1 54 LEU H 3.800 . 4.600 3.667 3.565 3.804 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ASP HA 1 57 ARG H 4.400 . 5.300 4.141 3.853 4.700 . 0 0 "[ . 1 . 2]" 1
1233 1 55 ASP HB2 1 57 ARG H 4.200 . 4.900 4.567 2.131 5.022 0.122 8 0 "[ . 1 . 2]" 1
1234 1 55 ASP HB2 1 58 LEU H 4.200 . 4.900 4.778 2.815 5.022 0.122 6 0 "[ . 1 . 2]" 1
1235 1 55 ASP HB2 1 58 LEU QD 3.700 . 4.500 3.025 2.234 3.608 . 0 0 "[ . 1 . 2]" 1
1236 1 55 ASP HB3 1 58 LEU QD 3.900 . 4.800 1.981 1.770 2.863 0.030 18 0 "[ . 1 . 2]" 1
1237 1 55 ASP H 1 60 TYR QE . . 3.800 3.117 2.714 3.657 . 0 0 "[ . 1 . 2]" 1
1238 1 55 ASP H 1 60 TYR HH 2.800 . 3.400 2.574 1.791 3.036 0.009 20 0 "[ . 1 . 2]" 1
1239 1 58 LEU HA 1 60 TYR QE 4.400 . 5.300 5.000 4.762 5.192 . 0 0 "[ . 1 . 2]" 1
1240 1 58 LEU HB2 1 60 TYR QE 3.700 . 4.500 2.782 2.502 3.016 . 0 0 "[ . 1 . 2]" 1
1241 1 58 LEU HB3 1 60 TYR QE 3.500 . 4.300 3.737 3.390 4.157 . 0 0 "[ . 1 . 2]" 1
1242 1 58 LEU QD 1 60 TYR QE . . 4.200 3.677 3.190 3.869 . 0 0 "[ . 1 . 2]" 1
1243 1 58 LEU QD 1 60 TYR QD 4.800 . 5.800 4.866 4.499 5.004 . 0 0 "[ . 1 . 2]" 1
1244 1 65 ARG HG3 1 67 GLU HA 5.300 . 6.200 4.775 3.440 6.047 . 0 0 "[ . 1 . 2]" 1
1245 1 65 ARG HG3 1 67 GLU QG 4.600 . 5.300 4.830 2.926 5.391 0.091 8 0 "[ . 1 . 2]" 1
1246 1 68 ASN HB2 1 70 LYS HG2 4.700 . 5.500 4.500 2.998 5.604 0.104 9 0 "[ . 1 . 2]" 1
1247 1 68 ASN HB2 1 70 LYS HG3 4.500 . 5.300 4.158 2.782 5.475 0.175 13 0 "[ . 1 . 2]" 1
1248 1 68 ASN HB3 1 70 LYS HG2 4.700 . 5.500 3.989 1.811 5.623 0.123 14 0 "[ . 1 . 2]" 1
1249 1 70 LYS HA 1 72 GLN H 4.400 . 5.300 4.144 3.350 4.629 . 0 0 "[ . 1 . 2]" 1
1250 1 70 LYS HB3 1 72 GLN H 3.800 . 4.600 3.313 2.230 4.632 0.032 13 0 "[ . 1 . 2]" 1
1251 1 70 LYS HB3 1 72 GLN QG . . 3.800 2.784 1.896 3.785 . 0 0 "[ . 1 . 2]" 1
1252 1 65 ARG HD3 1 70 LYS QD 4.900 . 5.900 5.964 5.614 6.129 0.229 14 0 "[ . 1 . 2]" 1
1253 1 70 LYS HG2 1 72 GLN QG 4.900 . 5.900 4.666 3.730 5.926 0.026 8 0 "[ . 1 . 2]" 1
1254 1 70 LYS H 1 72 GLN H 4.400 . 5.300 4.270 3.316 5.312 0.012 16 0 "[ . 1 . 2]" 1
1255 1 71 GLY HA3 1 73 TRP HE1 5.100 . 5.900 5.352 4.020 5.978 0.078 6 0 "[ . 1 . 2]" 1
1256 1 75 TRP HB2 1 77 ASP H 3.600 . 4.300 3.509 3.041 4.372 0.072 15 0 "[ . 1 . 2]" 1
1257 1 75 TRP HB2 1 79 THR H 4.400 . 5.300 3.163 2.554 3.571 . 0 0 "[ . 1 . 2]" 1
1258 1 75 TRP HB2 1 79 THR HB 5.200 . 6.200 1.923 1.631 2.249 0.169 2 0 "[ . 1 . 2]" 1
1259 1 75 TRP HB2 1 79 THR MG 4.700 . 5.700 3.413 2.778 3.643 . 0 0 "[ . 1 . 2]" 1
1260 1 75 TRP HB3 1 79 THR H 3.800 . 4.600 4.307 3.604 4.694 0.094 17 0 "[ . 1 . 2]" 1
1261 1 75 TRP HB3 1 79 THR HB 4.200 . 5.000 2.964 2.572 3.478 . 0 0 "[ . 1 . 2]" 1
1262 1 75 TRP HB3 1 79 THR MG 5.000 . 6.100 4.193 3.612 4.621 . 0 0 "[ . 1 . 2]" 1
1263 1 75 TRP HD1 1 79 THR HB 3.100 . 3.700 2.876 2.218 3.744 0.044 2 0 "[ . 1 . 2]" 1
1264 1 75 TRP HD1 1 79 THR MG 3.400 . 4.200 2.532 2.114 3.513 . 0 0 "[ . 1 . 2]" 1
1265 1 75 TRP HE1 1 79 THR MG 4.900 . 6.000 3.364 2.987 3.967 . 0 0 "[ . 1 . 2]" 1
1266 1 75 TRP HE3 1 79 THR MG 4.800 . 5.900 5.285 4.681 5.943 0.043 11 0 "[ . 1 . 2]" 1
1267 1 75 TRP H 1 79 THR H 4.300 . 5.200 4.660 3.494 5.211 0.011 1 0 "[ . 1 . 2]" 1
1268 1 78 GLN HE21 1 80 PRO HG2 4.500 . 5.300 5.323 4.929 5.451 0.151 13 0 "[ . 1 . 2]" 1
1269 1 79 THR MG 1 82 ASN HD21 5.000 . 6.100 4.040 2.813 6.190 0.090 2 0 "[ . 1 . 2]" 1
1270 1 81 PHE HD2 1 83 PRO HA 4.800 . 6.000 3.827 3.315 4.510 . 0 0 "[ . 1 . 2]" 1
1271 1 81 PHE QE 1 86 VAL MG2 5.200 . 6.400 2.710 2.348 3.249 . 0 0 "[ . 1 . 2]" 1
1272 1 82 ASN HA 1 84 ARG H 4.600 . 5.500 3.740 3.440 4.232 . 0 0 "[ . 1 . 2]" 1
1273 1 82 ASN HB2 1 85 ARG HB2 4.100 . 4.900 2.723 1.725 4.471 0.075 17 0 "[ . 1 . 2]" 1
1274 1 82 ASN HB2 1 85 ARG HB3 4.900 . 5.900 3.899 2.015 5.391 . 0 0 "[ . 1 . 2]" 1
1275 1 82 ASN HB2 1 85 ARG QG 4.200 . 5.000 4.223 2.344 5.064 0.064 13 0 "[ . 1 . 2]" 1
1276 1 82 ASN HB3 1 85 ARG H 4.700 . 5.600 2.769 2.130 4.968 . 0 0 "[ . 1 . 2]" 1
1277 1 82 ASN HB3 1 85 ARG HA 5.000 . 5.900 4.630 4.007 5.998 0.098 14 0 "[ . 1 . 2]" 1
1278 1 82 ASN HB3 1 85 ARG HB2 4.800 . 5.800 2.336 1.783 3.626 0.017 3 0 "[ . 1 . 2]" 1
1279 1 82 ASN HD22 1 85 ARG HB2 4.200 . 4.900 4.429 2.492 5.009 0.109 17 0 "[ . 1 . 2]" 1
1280 1 83 PRO HA 1 85 ARG H 4.900 . 5.900 4.237 3.802 5.159 . 0 0 "[ . 1 . 2]" 1
1281 1 83 PRO HA 1 86 VAL MG1 4.700 . 5.700 4.118 2.883 5.716 0.016 11 0 "[ . 1 . 2]" 1
1282 1 83 PRO HA 1 86 VAL MG2 4.100 . 5.000 4.281 2.938 5.032 0.032 3 0 "[ . 1 . 2]" 1
1283 1 86 VAL HA 1 88 TRP HE1 5.200 . 6.200 5.526 3.612 6.068 . 0 0 "[ . 1 . 2]" 1
1284 1 86 VAL HB 1 88 TRP H 4.600 . 5.500 5.317 4.243 5.571 0.071 17 0 "[ . 1 . 2]" 1
1285 1 86 VAL HB 1 88 TRP HD1 4.300 . 5.200 4.894 4.074 5.283 0.083 8 0 "[ . 1 . 2]" 1
1286 1 86 VAL HB 1 88 TRP HE1 4.200 . 4.900 4.668 4.202 4.994 0.094 2 0 "[ . 1 . 2]" 1
1287 1 86 VAL MG1 1 88 TRP HD1 2.800 . 3.500 2.716 1.763 3.274 0.037 2 0 "[ . 1 . 2]" 1
1288 1 86 VAL MG1 1 88 TRP HE1 3.300 . 4.100 2.943 1.899 4.067 . 0 0 "[ . 1 . 2]" 1
1289 1 86 VAL MG1 1 88 TRP HZ2 5.100 . 6.200 4.899 3.069 6.214 0.014 18 0 "[ . 1 . 2]" 1
1290 1 86 VAL MG2 1 88 TRP HD1 4.600 . 5.600 3.374 2.244 5.418 . 0 0 "[ . 1 . 2]" 1
1291 1 86 VAL MG2 1 88 TRP HE1 3.600 . 4.400 2.812 2.146 4.421 0.021 13 0 "[ . 1 . 2]" 1
1292 1 86 VAL MG2 1 88 TRP HZ2 4.400 . 5.400 4.048 2.988 5.416 0.016 1 0 "[ . 1 . 2]" 1
1293 1 88 TRP HB3 1 92 GLU H 5.100 . 6.200 4.960 2.400 6.255 0.055 15 0 "[ . 1 . 2]" 1
1294 1 89 HIS QB 1 92 GLU H 4.400 . 5.200 3.769 2.398 5.138 . 0 0 "[ . 1 . 2]" 1
1295 1 89 HIS H 1 92 GLU HB3 4.900 . 5.800 5.103 3.728 5.984 0.184 9 0 "[ . 1 . 2]" 1
1296 1 90 LYS HA 1 92 GLU H 4.400 . 5.600 4.524 3.302 5.809 0.209 10 0 "[ . 1 . 2]" 1
1297 1 103 VAL HB 1 105 VAL MG1 5.200 . 6.300 4.800 4.335 5.371 . 0 0 "[ . 1 . 2]" 1
1298 1 103 VAL MG1 1 105 VAL HB 4.400 . 5.400 4.599 1.810 5.231 . 0 0 "[ . 1 . 2]" 1
1299 1 103 VAL MG2 1 105 VAL HB 5.000 . 6.100 2.482 2.002 3.793 . 0 0 "[ . 1 . 2]" 1
1300 1 103 VAL MG2 1 105 VAL MG1 4.700 . 5.700 2.883 2.305 4.499 . 0 0 "[ . 1 . 2]" 1
1301 1 105 VAL MG1 1 107 ASN HA 4.600 . 5.600 4.964 4.429 5.407 . 0 0 "[ . 1 . 2]" 1
1302 1 105 VAL MG1 1 107 ASN HB2 3.700 . 4.500 3.203 2.624 3.722 . 0 0 "[ . 1 . 2]" 1
1303 1 105 VAL MG1 1 107 ASN HB3 3.800 . 4.700 3.288 2.754 4.768 0.068 5 0 "[ . 1 . 2]" 1
1304 1 105 VAL MG1 1 107 ASN HD21 4.200 . 5.100 4.458 3.523 5.107 0.007 6 0 "[ . 1 . 2]" 1
1305 1 105 VAL MG2 1 107 ASN HB2 4.300 . 5.200 2.884 2.185 4.380 . 0 0 "[ . 1 . 2]" 1
1306 1 105 VAL MG2 1 107 ASN HB3 4.600 . 5.500 3.829 3.191 4.900 . 0 0 "[ . 1 . 2]" 1
1307 1 105 VAL QG 1 107 ASN HD22 4.800 . 6.000 4.639 2.509 5.422 . 0 0 "[ . 1 . 2]" 1
1308 1 106 TYR HA 1 110 LYS H 4.200 . 5.000 4.441 3.871 5.027 0.027 15 0 "[ . 1 . 2]" 1
1309 1 106 TYR HA 1 111 TRP HA 3.800 . 4.600 2.551 2.308 2.747 . 0 0 "[ . 1 . 2]" 1
1310 1 106 TYR QD 1 110 LYS HA 4.700 . 5.800 4.362 3.765 4.724 . 0 0 "[ . 1 . 2]" 1
1311 1 106 TYR QD 1 111 TRP H 4.200 . 5.200 4.094 3.404 4.527 . 0 0 "[ . 1 . 2]" 1
1312 1 106 TYR QD 1 111 TRP HA 3.700 . 4.400 3.864 3.362 4.282 . 0 0 "[ . 1 . 2]" 1
1313 1 106 TYR QD 1 111 TRP HD1 3.300 . 4.000 3.226 2.796 3.661 . 0 0 "[ . 1 . 2]" 1
1314 1 106 TYR QD 1 111 TRP HE1 3.400 . 4.100 2.763 2.031 3.102 . 0 0 "[ . 1 . 2]" 1
1315 1 106 TYR QE 1 109 ASP H 4.500 . 5.500 3.945 3.419 4.362 . 0 0 "[ . 1 . 2]" 1
1316 1 106 TYR QE 1 109 ASP HA 3.300 . 4.100 2.691 2.138 3.354 . 0 0 "[ . 1 . 2]" 1
1317 1 106 TYR QE 1 110 LYS HA 3.500 . 4.400 3.980 3.339 4.490 0.090 8 0 "[ . 1 . 2]" 1
1318 1 106 TYR QE 1 111 TRP H 4.400 . 5.400 4.599 3.759 5.414 0.014 15 0 "[ . 1 . 2]" 1
1319 1 106 TYR QE 1 111 TRP HD1 3.900 . 4.700 3.668 2.734 4.681 . 0 0 "[ . 1 . 2]" 1
1320 1 106 TYR QE 1 111 TRP HE1 3.500 . 4.200 3.476 2.798 4.223 0.023 5 0 "[ . 1 . 2]" 1
1321 1 106 TYR QE 1 110 LYS H 4.500 . 5.500 4.643 4.233 5.215 . 0 0 "[ . 1 . 2]" 1
1322 1 106 TYR H 1 111 TRP HE3 3.800 . 4.600 4.060 3.828 4.285 . 0 0 "[ . 1 . 2]" 1
1323 1 107 ASN HA 1 109 ASP H 3.600 . 4.300 3.362 3.014 4.168 . 0 0 "[ . 1 . 2]" 1
1324 1 105 VAL QG 1 107 ASN HB2 4.700 . 5.800 2.627 2.141 3.529 . 0 0 "[ . 1 . 2]" 1
1325 1 107 ASN H 1 110 LYS H 3.000 . 3.600 3.308 2.957 3.634 0.034 13 0 "[ . 1 . 2]" 1
1326 1 107 ASN H 1 111 TRP HA 4.000 . 4.800 3.485 3.115 3.903 . 0 0 "[ . 1 . 2]" 1
1327 1 108 GLN HA 1 110 LYS H 4.600 . 5.500 4.299 4.114 4.530 . 0 0 "[ . 1 . 2]" 1
1328 1 108 GLN HB3 1 110 LYS H 4.100 . 4.900 4.347 3.770 4.767 . 0 0 "[ . 1 . 2]" 1
1329 1 108 GLN QG 1 110 LYS H 4.400 . 5.300 4.936 4.705 5.235 . 0 0 "[ . 1 . 2]" 1
1330 1 108 GLN H 1 110 LYS H 3.500 . 4.200 4.224 4.061 4.334 0.134 8 0 "[ . 1 . 2]" 1
1331 1 110 LYS QD 1 112 ALA MB 4.200 . 5.100 3.524 2.423 4.726 . 0 0 "[ . 1 . 2]" 1
1332 1 110 LYS HG2 1 112 ALA MB 4.500 . 5.500 4.223 3.592 5.314 . 0 0 "[ . 1 . 2]" 1
1333 1 110 LYS HG3 1 112 ALA MB 5.100 . 6.200 2.951 2.479 3.825 . 0 0 "[ . 1 . 2]" 1
1334 1 110 LYS QE 1 112 ALA MB 4.400 . 5.400 3.531 1.839 5.439 0.039 19 0 "[ . 1 . 2]" 1
1335 1 114 ASN HB2 1 116 VAL QG 4.800 . 5.900 4.475 3.500 5.368 . 0 0 "[ . 1 . 2]" 1
1336 1 114 ASN HB3 1 116 VAL QG 4.500 . 5.500 3.376 2.736 4.613 . 0 0 "[ . 1 . 2]" 1
1337 1 114 ASN HD22 1 116 VAL QG 5.400 . 6.600 3.406 2.014 5.401 . 0 0 "[ . 1 . 2]" 1
1338 1 116 VAL HB 1 120 PHE HB2 4.700 . 5.500 4.192 3.535 5.603 0.103 5 0 "[ . 1 . 2]" 1
1339 1 116 VAL HB 1 120 PHE HB3 4.200 . 5.000 3.655 2.932 5.114 0.114 7 0 "[ . 1 . 2]" 1
1340 1 116 VAL HB 1 120 PHE HD2 4.300 . 5.400 3.863 2.579 4.933 . 0 0 "[ . 1 . 2]" 1
1341 1 116 VAL HB 1 120 PHE HE2 5.200 . 6.300 5.134 4.153 6.073 . 0 0 "[ . 1 . 2]" 1
1342 1 116 VAL QG 1 120 PHE HB2 4.200 . 5.000 3.933 2.549 4.494 . 0 0 "[ . 1 . 2]" 1
1343 1 116 VAL QG 1 120 PHE HB3 4.400 . 5.300 3.235 2.284 3.983 . 0 0 "[ . 1 . 2]" 1
1344 1 116 VAL QG 1 120 PHE HD2 3.700 . 4.400 2.946 2.390 4.156 . 0 0 "[ . 1 . 2]" 1
1345 1 116 VAL QG 1 120 PHE HE2 4.400 . 5.200 3.629 3.197 4.038 . 0 0 "[ . 1 . 2]" 1
1346 1 117 PRO HB2 1 119 ASN H 3.400 . 4.300 2.749 2.435 3.362 . 0 0 "[ . 1 . 2]" 1
1347 1 117 PRO HB2 1 120 PHE H 3.800 . 4.600 3.625 2.804 4.630 0.030 15 0 "[ . 1 . 2]" 1
1348 1 117 PRO HB2 1 120 PHE HB2 4.400 . 5.300 3.348 2.787 4.718 . 0 0 "[ . 1 . 2]" 1
1349 1 117 PRO HB2 1 120 PHE HB3 4.700 . 5.600 4.037 3.360 4.645 . 0 0 "[ . 1 . 2]" 1
1350 1 117 PRO HB2 1 120 PHE HD1 4.400 . 5.500 5.342 4.621 5.528 0.028 9 0 "[ . 1 . 2]" 1
1351 1 117 PRO HG2 1 120 PHE H 4.300 . 5.100 4.336 3.501 5.128 0.028 9 0 "[ . 1 . 2]" 1
1352 1 117 PRO HG3 1 120 PHE HB2 4.400 . 5.300 4.006 3.421 5.311 0.011 16 0 "[ . 1 . 2]" 1
1353 1 117 PRO HG3 1 120 PHE HB3 4.800 . 5.800 5.068 4.009 5.853 0.053 13 0 "[ . 1 . 2]" 1
1354 1 120 PHE HD2 1 122 ALA MB 3.500 . 4.200 2.731 2.121 4.217 0.017 19 0 "[ . 1 . 2]" 1
1355 1 120 PHE HE2 1 122 ALA HA 4.400 . 5.500 4.185 3.662 4.728 . 0 0 "[ . 1 . 2]" 1
1356 1 120 PHE HE2 1 122 ALA MB 3.300 . 4.100 2.433 2.229 3.012 . 0 0 "[ . 1 . 2]" 1
1357 1 120 PHE HZ 1 122 ALA MB 5.100 . 6.200 4.006 2.264 4.474 . 0 0 "[ . 1 . 2]" 1
1358 1 122 ALA MB 1 124 ARG H 4.800 . 5.800 5.452 5.345 5.536 . 0 0 "[ . 1 . 2]" 1
1359 1 125 ILE MG 1 127 LYS HA 5.400 . 6.600 4.134 3.858 4.500 . 0 0 "[ . 1 . 2]" 1
1360 1 126 CYS HB3 1 128 ILE MD 5.800 . 7.100 6.135 4.662 6.969 . 0 0 "[ . 1 . 2]" 1
1361 1 128 ILE MD 1 131 THR MG 4.700 . 5.800 2.890 1.938 5.812 0.012 14 0 "[ . 1 . 2]" 1
1362 1 128 ILE MG 1 131 THR HB 4.800 . 5.900 5.591 4.425 6.024 0.124 11 0 "[ . 1 . 2]" 1
1363 1 128 ILE MG 1 132 THR MG 5.600 . 6.600 5.866 4.070 6.743 0.143 3 0 "[ . 1 . 2]" 1
1364 1 129 PRO HB2 1 131 THR H 4.600 . 5.500 3.522 2.242 4.491 . 0 0 "[ . 1 . 2]" 1
1365 1 129 PRO HB2 1 131 THR MG 4.300 . 5.300 3.359 1.748 4.680 0.052 14 0 "[ . 1 . 2]" 1
1366 1 129 PRO HB3 1 131 THR H 4.700 . 5.700 4.930 3.904 5.825 0.125 8 0 "[ . 1 . 2]" 1
1367 1 129 PRO HB3 1 131 THR MG 4.900 . 6.000 4.677 3.154 5.624 . 0 0 "[ . 1 . 2]" 1
1368 1 129 PRO HD2 1 131 THR MG 4.900 . 6.000 3.342 2.588 4.509 . 0 0 "[ . 1 . 2]" 1
1369 1 129 PRO HD3 1 131 THR MG 4.600 . 5.600 4.693 4.041 5.628 0.028 13 0 "[ . 1 . 2]" 1
1370 1 129 PRO HG2 1 131 THR HA 5.300 . 6.300 5.388 3.878 6.384 0.084 14 0 "[ . 1 . 2]" 1
1371 1 129 PRO HG2 1 131 THR MG 4.000 . 4.700 3.327 1.878 4.330 . 0 0 "[ . 1 . 2]" 1
1372 1 129 PRO HG3 1 131 THR MG 4.400 . 5.300 4.598 3.417 5.407 0.107 20 0 "[ . 1 . 2]" 1
1373 1 130 GLY HA3 1 133 LEU QD 5.600 . 6.600 3.831 2.236 5.692 . 0 0 "[ . 1 . 2]" 1
1374 1 131 THR HA 1 133 LEU QD 4.900 . 5.900 4.144 1.939 5.249 . 0 0 "[ . 1 . 2]" 1
1375 1 131 THR HA 1 134 ASN HB3 4.500 . 5.300 4.316 2.743 5.334 0.034 18 0 "[ . 1 . 2]" 1
1376 1 131 THR HA 1 134 ASN QB 3.900 . 4.700 3.541 2.518 4.729 0.029 11 0 "[ . 1 . 2]" 1
1377 1 131 THR MG 1 134 ASN QB 4.400 . 5.400 4.147 3.024 5.480 0.080 11 0 "[ . 1 . 2]" 1
1378 1 132 THR HA 1 135 ALA MB 4.500 . 5.300 2.686 1.791 3.364 0.009 11 0 "[ . 1 . 2]" 1
1379 1 132 THR HB 1 135 ALA MB 4.300 . 5.300 4.937 3.534 5.353 0.053 13 0 "[ . 1 . 2]" 1
1380 1 132 THR MG 1 134 ASN H 4.400 . 5.400 4.930 4.281 5.388 . 0 0 "[ . 1 . 2]" 1
1381 1 132 THR MG 1 136 GLU HA 4.100 . 5.000 4.562 3.576 5.086 0.086 4 0 "[ . 1 . 2]" 1
1382 1 131 THR HB 1 134 ASN QB 4.800 . 5.700 4.084 2.471 5.532 . 0 0 "[ . 1 . 2]" 1
1383 1 132 THR HA 1 134 ASN QB 5.600 . 6.400 4.973 4.315 5.341 . 0 0 "[ . 1 . 2]" 1
1384 1 135 ALA HA 1 138 LEU HB3 3.200 . 3.800 2.999 1.778 3.837 0.037 3 0 "[ . 1 . 2]" 1
1385 1 135 ALA HA 1 138 LEU QD 3.700 . 4.500 3.513 1.951 4.218 . 0 0 "[ . 1 . 2]" 1
1386 1 137 ASN HA 1 140 PHE HA 3.800 . 4.600 4.657 4.497 4.741 0.141 11 0 "[ . 1 . 2]" 1
1387 1 137 ASN HA 1 140 PHE HB2 2.900 . 3.500 2.573 2.359 2.736 . 0 0 "[ . 1 . 2]" 1
1388 1 137 ASN HA 1 140 PHE HB3 3.100 . 3.700 2.115 1.884 2.282 . 0 0 "[ . 1 . 2]" 1
1389 1 137 ASN HA 1 140 PHE QD 4.700 . 5.700 3.728 3.465 3.903 . 0 0 "[ . 1 . 2]" 1
1390 1 137 ASN QB 1 140 PHE HB2 4.000 . 5.000 4.514 4.064 4.751 . 0 0 "[ . 1 . 2]" 1
1391 1 137 ASN QB 1 140 PHE QD 4.800 . 5.900 4.371 3.463 5.140 . 0 0 "[ . 1 . 2]" 1
1392 1 138 LEU QD 1 142 SER HB2 4.500 . 5.500 3.438 2.672 5.222 . 0 0 "[ . 1 . 2]" 1
1393 1 138 LEU QD 1 141 GLN HB2 4.900 . 5.800 3.694 3.081 4.458 . 0 0 "[ . 1 . 2]" 1
1394 1 138 LEU QD 1 141 GLN QG 4.200 . 5.100 4.501 3.724 4.995 . 0 0 "[ . 1 . 2]" 1
1395 1 139 TYR HA 1 142 SER HB2 3.200 . 3.800 3.059 2.401 3.935 0.135 14 0 "[ . 1 . 2]" 1
1396 1 139 TYR HA 1 142 SER HB3 3.300 . 4.000 2.913 2.053 4.060 0.060 10 0 "[ . 1 . 2]" 1
1397 1 136 GLU HA 1 139 TYR QB 4.000 . 4.700 3.369 2.581 4.453 . 0 0 "[ . 1 . 2]" 1
1398 1 1 MET ME 1 128 ILE MD 6.500 . 8.000 6.929 4.571 8.064 0.064 16 0 "[ . 1 . 2]" 1
1399 1 2 VAL HB 1 132 THR HB 4.100 . 4.900 4.551 3.334 5.017 0.117 11 0 "[ . 1 . 2]" 1
1400 1 2 VAL MG1 1 132 THR HA 4.600 . 5.400 4.202 2.109 5.447 0.047 9 0 "[ . 1 . 2]" 1
1401 1 2 VAL MG1 1 132 THR HB 4.700 . 5.700 3.415 1.911 5.439 . 0 0 "[ . 1 . 2]" 1
1402 1 2 VAL QG 1 131 THR H 5.300 . 6.600 5.889 5.109 6.714 0.114 7 0 "[ . 1 . 2]" 1
1403 1 3 CYS HA 1 128 ILE MG 5.400 . 6.600 4.531 3.215 5.408 . 0 0 "[ . 1 . 2]" 1
1404 1 3 CYS HA 1 132 THR MG 5.000 . 6.100 4.685 2.987 6.136 0.036 8 0 "[ . 1 . 2]" 1
1405 1 3 CYS HB2 1 9 ALA MB 4.500 . 5.400 3.800 2.751 5.452 0.052 13 0 "[ . 1 . 2]" 1
1406 1 3 CYS HB3 1 128 ILE MD 5.000 . 6.100 4.478 2.207 6.126 0.026 11 0 "[ . 1 . 2]" 1
1407 1 3 CYS HB3 1 128 ILE MG 4.100 . 5.100 3.641 2.126 5.128 0.028 14 0 "[ . 1 . 2]" 1
1408 1 4 PRO HD2 1 128 ILE MD 5.900 . 7.200 4.438 2.678 6.590 . 0 0 "[ . 1 . 2]" 1
1409 1 4 PRO HD2 1 128 ILE MG 4.900 . 6.000 4.123 2.312 6.029 0.029 6 0 "[ . 1 . 2]" 1
1410 1 4 PRO HD3 1 128 ILE MD 5.700 . 6.900 4.546 2.383 6.028 . 0 0 "[ . 1 . 2]" 1
1411 1 4 PRO HD3 1 128 ILE MG 5.900 . 7.200 4.689 3.172 6.461 . 0 0 "[ . 1 . 2]" 1
1412 1 7 TRP HA 1 16 PHE HD1 3.000 . 3.600 2.638 2.224 3.300 . 0 0 "[ . 1 . 2]" 1
1413 1 7 TRP HE1 1 16 PHE HD1 4.400 . 5.500 4.982 3.777 5.543 0.043 16 0 "[ . 1 . 2]" 1
1414 1 7 TRP HE3 1 128 ILE H 4.200 . 5.000 3.503 2.704 4.284 . 0 0 "[ . 1 . 2]" 1
1415 1 7 TRP HE3 1 128 ILE MD 5.400 . 6.600 4.604 3.089 5.746 . 0 0 "[ . 1 . 2]" 1
1416 1 7 TRP HE3 1 128 ILE MG 4.200 . 5.100 2.963 2.037 5.008 . 0 0 "[ . 1 . 2]" 1
1417 1 7 TRP HE3 1 15 TYR HA 4.300 . 5.200 3.387 2.831 3.982 . 0 0 "[ . 1 . 2]" 1
1418 1 7 TRP HE3 1 16 PHE H 3.800 . 4.600 3.555 2.859 4.237 . 0 0 "[ . 1 . 2]" 1
1419 1 7 TRP HH2 1 126 CYS HB2 4.000 . 4.800 3.814 2.241 4.555 . 0 0 "[ . 1 . 2]" 1
1420 1 7 TRP HH2 1 126 CYS HB3 4.400 . 5.300 3.064 2.346 4.685 . 0 0 "[ . 1 . 2]" 1
1421 1 7 TRP HH2 1 128 ILE MD 3.900 . 4.700 4.099 2.972 4.725 0.025 7 0 "[ . 1 . 2]" 1
1422 1 7 TRP HH2 1 16 PHE HB3 4.600 . 5.500 3.976 3.575 4.506 . 0 0 "[ . 1 . 2]" 1
1423 1 7 TRP HH2 1 34 MET ME 3.400 . 4.200 2.749 2.131 3.996 . 0 0 "[ . 1 . 2]" 1
1424 1 7 TRP HH2 1 36 ALA MB 3.200 . 3.900 2.432 1.977 2.888 . 0 0 "[ . 1 . 2]" 1
1425 1 7 TRP HZ2 1 128 ILE MD 5.100 . 6.200 4.757 3.170 5.772 . 0 0 "[ . 1 . 2]" 1
1426 1 7 TRP HZ2 1 16 PHE HB3 5.000 . 6.000 4.238 3.819 4.811 . 0 0 "[ . 1 . 2]" 1
1427 1 7 TRP HZ2 1 16 PHE QD 4.800 . 5.900 4.197 3.147 4.919 . 0 0 "[ . 1 . 2]" 1
1428 1 7 TRP HZ2 1 34 MET HB2 3.800 . 4.500 4.002 3.566 4.332 . 0 0 "[ . 1 . 2]" 1
1429 1 7 TRP HZ2 1 34 MET HB3 3.800 . 4.500 3.863 3.005 4.592 0.092 4 0 "[ . 1 . 2]" 1
1430 1 7 TRP HZ2 1 34 MET ME 3.000 . 3.700 2.836 2.149 3.714 0.014 8 0 "[ . 1 . 2]" 1
1431 1 7 TRP HZ2 1 34 MET HG2 4.800 . 5.900 4.709 3.416 5.564 . 0 0 "[ . 1 . 2]" 1
1432 1 7 TRP HZ2 1 34 MET HG3 4.200 . 5.000 4.494 1.867 5.132 0.132 7 0 "[ . 1 . 2]" 1
1433 1 7 TRP HZ2 1 36 ALA MB 3.900 . 4.800 4.136 3.478 4.856 0.056 13 0 "[ . 1 . 2]" 1
1434 1 7 TRP HZ3 1 127 LYS HA 4.700 . 5.600 3.236 2.212 4.350 . 0 0 "[ . 1 . 2]" 1
1435 1 7 TRP HZ3 1 128 ILE H 3.700 . 4.400 3.006 2.320 3.729 . 0 0 "[ . 1 . 2]" 1
1436 1 7 TRP HZ3 1 128 ILE MG 4.000 . 4.900 3.124 1.800 4.945 0.045 19 0 "[ . 1 . 2]" 1
1437 1 7 TRP HZ3 1 15 TYR HA 5.000 . 6.000 3.907 3.256 4.456 . 0 0 "[ . 1 . 2]" 1
1438 1 7 TRP HZ3 1 16 PHE H 4.200 . 5.000 3.663 3.072 4.388 . 0 0 "[ . 1 . 2]" 1
1439 1 8 ARG HB2 1 15 TYR H 4.100 . 4.900 3.784 2.675 4.827 . 0 0 "[ . 1 . 2]" 1
1440 1 8 ARG HD2 1 15 TYR QD 5.700 . 6.700 6.369 5.608 6.698 . 0 0 "[ . 1 . 2]" 1
1441 1 8 ARG HD2 1 53 PHE HD1 4.900 . 6.100 4.742 3.646 6.135 0.035 19 0 "[ . 1 . 2]" 1
1442 1 8 ARG HD2 1 53 PHE HE1 4.300 . 5.400 3.869 2.668 5.380 . 0 0 "[ . 1 . 2]" 1
1443 1 8 ARG HD2 1 53 PHE HZ 4.200 . 5.000 4.158 2.998 5.115 0.115 10 0 "[ . 1 . 2]" 1
1444 1 8 ARG HD3 1 15 TYR QD 5.800 . 7.100 6.501 5.502 7.014 . 0 0 "[ . 1 . 2]" 1
1445 1 8 ARG HD3 1 53 PHE HD1 4.900 . 6.100 4.955 2.832 6.039 . 0 0 "[ . 1 . 2]" 1
1446 1 8 ARG HD3 1 53 PHE HE1 4.400 . 5.500 4.416 2.605 5.518 0.018 7 0 "[ . 1 . 2]" 1
1447 1 8 ARG HD3 1 53 PHE HZ 4.900 . 5.700 4.903 3.312 5.716 0.016 3 0 "[ . 1 . 2]" 1
1448 1 8 ARG HE 1 53 PHE HE1 2.900 . 3.600 3.295 2.206 3.688 0.088 11 0 "[ . 1 . 2]" 1
1449 1 8 ARG HG3 1 15 TYR QD 5.100 . 6.200 4.792 3.587 5.896 . 0 0 "[ . 1 . 2]" 1
1450 1 8 ARG H 1 14 CYS HB3 4.000 . 4.800 4.372 3.930 4.836 0.036 13 0 "[ . 1 . 2]" 1
1451 1 8 ARG H 1 15 TYR H 3.600 . 4.300 2.932 2.468 3.408 . 0 0 "[ . 1 . 2]" 1
1452 1 9 ALA HA 1 15 TYR H 4.100 . 4.900 3.624 3.248 4.004 . 0 0 "[ . 1 . 2]" 1
1453 1 9 ALA HA 1 15 TYR QD 4.200 . 5.200 3.926 3.251 4.627 . 0 0 "[ . 1 . 2]" 1
1454 1 9 ALA HA 1 15 TYR QE 4.500 . 5.600 4.583 3.804 5.581 . 0 0 "[ . 1 . 2]" 1
1455 1 10 PHE HB2 1 53 PHE HE2 4.600 . 5.700 4.653 3.589 5.740 0.040 7 0 "[ . 1 . 2]" 1
1456 1 10 PHE HD2 1 46 GLU HA 4.300 . 5.100 3.653 2.884 4.448 . 0 0 "[ . 1 . 2]" 1
1457 1 10 PHE HD1 1 49 PHE HB3 3.400 . 4.000 3.985 3.681 4.092 0.092 6 0 "[ . 1 . 2]" 1
1458 1 10 PHE HE2 1 45 ALA MB 3.300 . 4.200 3.339 2.506 4.009 . 0 0 "[ . 1 . 2]" 1
1459 1 10 PHE HE2 1 46 GLU HA 3.300 . 4.000 3.052 1.783 3.989 0.017 6 0 "[ . 1 . 2]" 1
1460 1 10 PHE HE1 1 49 PHE HB3 4.300 . 5.200 4.015 3.319 4.673 . 0 0 "[ . 1 . 2]" 1
1461 1 10 PHE HZ 1 45 ALA HA 5.100 . 6.100 4.814 4.104 5.241 . 0 0 "[ . 1 . 2]" 1
1462 1 10 PHE HZ 1 45 ALA MB 3.300 . 4.000 2.589 1.999 3.191 . 0 0 "[ . 1 . 2]" 1
1463 1 10 PHE HZ 1 46 GLU HA 3.800 . 4.600 4.080 3.211 4.622 0.022 3 0 "[ . 1 . 2]" 1
1464 1 13 ASN HA 1 129 PRO HA 2.900 . 3.500 2.747 2.185 3.545 0.045 6 0 "[ . 1 . 2]" 1
1465 1 13 ASN HA 1 129 PRO HB2 4.900 . 5.800 5.279 4.814 5.693 . 0 0 "[ . 1 . 2]" 1
1466 1 13 ASN HA 1 130 GLY H 2.800 . 3.400 3.128 2.242 3.497 0.097 7 0 "[ . 1 . 2]" 1
1467 1 13 ASN HA 1 130 GLY HA2 4.800 . 5.800 4.224 2.720 5.300 . 0 0 "[ . 1 . 2]" 1
1468 1 13 ASN HA 1 130 GLY HA3 5.100 . 6.100 4.397 3.277 5.232 . 0 0 "[ . 1 . 2]" 1
1469 1 13 ASN HB2 1 129 PRO HA 4.600 . 5.500 5.025 4.269 5.551 0.051 12 0 "[ . 1 . 2]" 1
1470 1 13 ASN HB3 1 129 PRO HA 4.700 . 5.600 3.875 3.118 4.466 . 0 0 "[ . 1 . 2]" 1
1471 1 13 ASN HB3 1 130 GLY H 5.100 . 5.900 5.186 4.335 5.898 . 0 0 "[ . 1 . 2]" 1
1472 1 14 CYS HA 1 128 ILE MG 5.200 . 6.300 4.435 3.929 5.752 . 0 0 "[ . 1 . 2]" 1
1473 1 14 CYS HB2 1 128 ILE H 4.400 . 5.300 3.393 2.600 4.014 . 0 0 "[ . 1 . 2]" 1
1474 1 14 CYS HB2 1 128 ILE MD 5.200 . 6.300 4.181 2.904 4.839 . 0 0 "[ . 1 . 2]" 1
1475 1 14 CYS HB2 1 131 THR MG 5.100 . 6.200 5.907 4.598 6.278 0.078 18 0 "[ . 1 . 2]" 1
1476 1 14 CYS HB3 1 128 ILE HB 5.300 . 6.400 5.209 2.854 6.075 . 0 0 "[ . 1 . 2]" 1
1477 1 14 CYS H 1 128 ILE H 3.500 . 4.200 3.104 2.575 3.465 . 0 0 "[ . 1 . 2]" 1
1478 1 14 CYS H 1 128 ILE MG 4.300 . 5.300 3.265 2.792 4.379 . 0 0 "[ . 1 . 2]" 1
1479 1 14 CYS H 1 129 PRO HA 4.100 . 4.900 3.760 3.357 4.276 . 0 0 "[ . 1 . 2]" 1
1480 1 15 TYR HA 1 125 ILE MG 4.800 . 5.900 3.705 3.311 4.180 . 0 0 "[ . 1 . 2]" 1
1481 1 15 TYR HA 1 127 LYS HA 4.100 . 4.900 2.426 2.139 2.940 . 0 0 "[ . 1 . 2]" 1
1482 1 15 TYR HA 1 128 ILE H 3.900 . 4.700 3.487 3.303 3.684 . 0 0 "[ . 1 . 2]" 1
1483 1 15 TYR HA 1 50 ILE MD 5.100 . 6.200 4.553 4.280 4.991 . 0 0 "[ . 1 . 2]" 1
1484 1 15 TYR HB2 1 125 ILE MG 4.400 . 5.400 4.040 3.597 4.694 . 0 0 "[ . 1 . 2]" 1
1485 1 15 TYR HB2 1 127 LYS HA 5.100 . 6.100 5.242 4.993 5.762 . 0 0 "[ . 1 . 2]" 1
1486 1 15 TYR HB2 1 50 ILE MD 4.000 . 4.900 2.431 1.915 2.978 . 0 0 "[ . 1 . 2]" 1
1487 1 15 TYR HB3 1 125 ILE MG 4.400 . 5.400 2.762 2.351 3.304 . 0 0 "[ . 1 . 2]" 1
1488 1 15 TYR HB3 1 50 ILE MD 3.800 . 4.700 2.649 2.269 3.283 . 0 0 "[ . 1 . 2]" 1
1489 1 15 TYR QD 1 125 ILE MG 3.700 . 4.500 3.083 1.948 3.462 . 0 0 "[ . 1 . 2]" 1
1490 1 15 TYR QD 1 127 LYS HA 5.500 . 6.800 3.612 3.065 4.241 . 0 0 "[ . 1 . 2]" 1
1491 1 15 TYR QD 1 127 LYS HB2 4.400 . 5.500 2.923 2.142 3.862 . 0 0 "[ . 1 . 2]" 1
1492 1 15 TYR QD 1 127 LYS HB3 4.500 . 5.200 3.846 1.872 5.233 0.033 13 0 "[ . 1 . 2]" 1
1493 1 15 TYR QD 1 39 MET ME 3.500 . 4.300 3.114 2.382 4.055 . 0 0 "[ . 1 . 2]" 1
1494 1 15 TYR QD 1 50 ILE MD 3.600 . 4.400 3.277 2.930 3.793 . 0 0 "[ . 1 . 2]" 1
1495 1 8 ARG QB 1 15 TYR QD 3.400 . 4.100 3.309 2.676 4.032 . 0 0 "[ . 1 . 2]" 1
1496 1 15 TYR QE 1 39 MET ME 3.300 . 4.200 2.636 1.888 3.563 . 0 0 "[ . 1 . 2]" 1
1497 1 15 TYR H 1 50 ILE MD 5.000 . 6.100 4.649 4.231 5.283 . 0 0 "[ . 1 . 2]" 1
1498 1 16 PHE HB2 1 126 CYS H 4.300 . 5.100 4.941 4.182 5.157 0.057 8 0 "[ . 1 . 2]" 1
1499 1 16 PHE HD2 1 126 CYS HB3 4.800 . 6.000 4.614 3.345 5.933 . 0 0 "[ . 1 . 2]" 1
1500 1 16 PHE HD2 1 34 MET ME 3.800 . 4.800 4.012 2.787 4.546 . 0 0 "[ . 1 . 2]" 1
1501 1 16 PHE HE2 1 34 MET ME 5.000 . 6.000 5.019 3.738 5.678 . 0 0 "[ . 1 . 2]" 1
1502 1 6 ASP QB 1 16 PHE HE1 4.400 . 5.500 3.301 1.785 5.608 0.108 19 0 "[ . 1 . 2]" 1
1503 1 16 PHE H 1 125 ILE MG 3.600 . 4.400 3.187 2.608 3.790 . 0 0 "[ . 1 . 2]" 1
1504 1 16 PHE H 1 126 CYS H 3.500 . 4.200 3.167 2.850 3.439 . 0 0 "[ . 1 . 2]" 1
1505 1 16 PHE H 1 126 CYS HB2 4.800 . 5.900 4.419 3.652 5.284 . 0 0 "[ . 1 . 2]" 1
1506 1 16 PHE H 1 126 CYS HB3 4.200 . 5.000 4.284 2.953 5.015 0.015 8 0 "[ . 1 . 2]" 1
1507 1 16 PHE H 1 127 LYS HA 3.800 . 4.600 3.483 3.080 4.029 . 0 0 "[ . 1 . 2]" 1
1508 1 17 PRO HA 1 125 ILE HA 3.500 . 4.200 2.441 2.138 2.970 . 0 0 "[ . 1 . 2]" 1
1509 1 17 PRO HA 1 125 ILE HG13 4.700 . 5.600 4.136 3.677 5.353 . 0 0 "[ . 1 . 2]" 1
1510 1 17 PRO HA 1 125 ILE MG 4.200 . 5.100 2.796 2.408 3.156 . 0 0 "[ . 1 . 2]" 1
1511 1 17 PRO HA 1 126 CYS H 4.100 . 4.900 3.742 3.388 4.254 . 0 0 "[ . 1 . 2]" 1
1512 1 17 PRO HA 1 54 LEU QD 5.500 . 6.700 3.584 3.176 4.135 . 0 0 "[ . 1 . 2]" 1
1513 1 17 PRO HA 1 60 TYR QE 4.900 . 5.900 3.999 3.672 4.475 . 0 0 "[ . 1 . 2]" 1
1514 1 17 PRO HB2 1 50 ILE MD 4.200 . 5.100 4.973 4.390 5.158 0.058 13 0 "[ . 1 . 2]" 1
1515 1 17 PRO HB2 1 54 LEU QD 4.000 . 4.900 2.952 2.491 3.813 . 0 0 "[ . 1 . 2]" 1
1516 1 17 PRO HB2 1 60 TYR QE 3.600 . 4.300 3.204 2.600 4.011 . 0 0 "[ . 1 . 2]" 1
1517 1 17 PRO HB3 1 54 LEU QD 4.000 . 4.900 2.108 1.895 2.812 . 0 0 "[ . 1 . 2]" 1
1518 1 17 PRO HD2 1 50 ILE MD 4.900 . 6.000 5.034 4.498 5.662 . 0 0 "[ . 1 . 2]" 1
1519 1 17 PRO HD3 1 50 ILE MD 4.800 . 5.900 3.745 3.283 4.467 . 0 0 "[ . 1 . 2]" 1
1520 1 17 PRO HG2 1 125 ILE MG 5.100 . 6.000 5.205 4.702 5.924 . 0 0 "[ . 1 . 2]" 1
1521 1 17 PRO HG2 1 50 ILE MD 5.500 . 6.700 4.426 3.750 5.158 . 0 0 "[ . 1 . 2]" 1
1522 1 17 PRO HG3 1 50 ILE MD 4.000 . 4.900 2.966 2.202 3.773 . 0 0 "[ . 1 . 2]" 1
1523 1 17 PRO HG3 1 54 LEU QD 4.200 . 5.100 3.027 2.504 3.816 . 0 0 "[ . 1 . 2]" 1
1524 1 18 LEU HB2 1 124 ARG H 4.400 . 5.400 3.425 2.242 5.351 . 0 0 "[ . 1 . 2]" 1
1525 1 18 LEU QD 1 34 MET ME 3.300 . 4.100 3.425 2.911 3.785 . 0 0 "[ . 1 . 2]" 1
1526 1 18 LEU H 1 124 ARG H 3.600 . 4.300 3.319 2.938 3.632 . 0 0 "[ . 1 . 2]" 1
1527 1 18 LEU H 1 124 ARG HB2 4.700 . 5.600 4.813 3.530 5.423 . 0 0 "[ . 1 . 2]" 1
1528 1 18 LEU H 1 125 ILE MG 4.100 . 5.000 4.386 4.059 4.707 . 0 0 "[ . 1 . 2]" 1
1529 1 19 THR HA 1 123 SER HB2 3.600 . 4.300 3.845 2.496 4.362 0.062 20 0 "[ . 1 . 2]" 1
1530 1 19 THR HA 1 123 SER HB3 3.700 . 4.400 2.616 1.905 4.121 . 0 0 "[ . 1 . 2]" 1
1531 1 19 THR HA 1 58 LEU QD . . 4.900 3.773 2.891 4.293 . 0 0 "[ . 1 . 2]" 1
1532 1 19 THR HA 1 60 TYR QE 5.000 . 6.000 3.554 3.134 4.061 . 0 0 "[ . 1 . 2]" 1
1533 1 19 THR HB 1 58 LEU QD . . 4.200 3.341 2.313 3.936 . 0 0 "[ . 1 . 2]" 1
1534 1 19 THR MG 1 123 SER HB3 4.200 . 5.100 3.798 3.004 4.798 . 0 0 "[ . 1 . 2]" 1
1535 1 19 THR MG 1 55 ASP H 4.900 . 6.000 4.313 3.761 5.250 . 0 0 "[ . 1 . 2]" 1
1536 1 19 THR MG 1 55 ASP HB2 4.400 . 5.400 3.788 3.115 4.437 . 0 0 "[ . 1 . 2]" 1
1537 1 19 THR MG 1 55 ASP HB3 4.800 . 5.900 3.677 2.962 4.796 . 0 0 "[ . 1 . 2]" 1
1538 1 19 THR MG 1 58 LEU HB2 3.600 . 4.400 3.789 3.004 4.420 0.020 17 0 "[ . 1 . 2]" 1
1539 1 19 THR MG 1 58 LEU QD 3.500 . 3.800 2.476 1.812 2.998 . 0 0 "[ . 1 . 2]" 1
1540 1 19 THR MG 1 60 TYR QD 4.500 . 5.500 4.844 4.165 5.403 . 0 0 "[ . 1 . 2]" 1
1541 1 19 THR MG 1 60 TYR QE 3.400 . 4.200 3.117 2.341 3.802 . 0 0 "[ . 1 . 2]" 1
1542 1 22 LYS HA 1 121 GLU HG2 5.000 . 6.000 4.665 3.388 6.011 0.011 18 0 "[ . 1 . 2]" 1
1543 1 22 LYS HB3 1 122 ALA H 4.700 . 5.500 5.096 3.932 5.508 0.008 19 0 "[ . 1 . 2]" 1
1544 1 22 LYS HB3 1 38 LEU QD 5.500 . 7.000 5.662 5.130 6.406 . 0 0 "[ . 1 . 2]" 1
1545 1 22 LYS HE3 1 30 ASN HB2 4.300 . 5.200 5.100 3.778 5.293 0.093 5 0 "[ . 1 . 2]" 1
1546 1 22 LYS HE3 1 30 ASN HB3 5.600 . 6.400 6.173 4.875 6.489 0.089 13 0 "[ . 1 . 2]" 1
1547 1 22 LYS H 1 121 GLU HB3 4.000 . 4.800 3.884 2.817 4.805 0.005 18 0 "[ . 1 . 2]" 1
1548 1 22 LYS H 1 121 GLU HG3 4.600 . 5.300 5.193 4.260 5.597 0.297 5 0 "[ . 1 . 2]" 1
1549 1 22 LYS H 1 122 ALA H 2.900 . 3.500 2.541 1.960 2.854 . 0 0 "[ . 1 . 2]" 1
1550 1 22 LYS H 1 122 ALA HA 3.900 . 4.700 4.106 3.550 4.473 . 0 0 "[ . 1 . 2]" 1
1551 1 23 THR HA 1 119 ASN HA 4.000 . 4.800 4.313 3.748 4.818 0.018 19 0 "[ . 1 . 2]" 1
1552 1 23 THR HA 1 121 GLU HA 3.600 . 4.300 2.606 1.957 3.398 . 0 0 "[ . 1 . 2]" 1
1553 1 23 THR HA 1 121 GLU HG3 4.800 . 5.800 4.983 3.971 5.824 0.024 18 0 "[ . 1 . 2]" 1
1554 1 23 THR HA 1 122 ALA H 3.900 . 4.700 3.509 3.195 3.923 . 0 0 "[ . 1 . 2]" 1
1555 1 23 THR HA 1 61 PHE HE1 4.900 . 6.100 5.411 4.998 6.112 0.012 13 0 "[ . 1 . 2]" 1
1556 1 23 THR HB 1 119 ASN HB2 4.600 . 5.600 5.093 4.104 5.642 0.042 5 0 "[ . 1 . 2]" 1
1557 1 23 THR HB 1 119 ASN HB3 4.600 . 5.400 4.941 4.142 5.448 0.048 19 0 "[ . 1 . 2]" 1
1558 1 23 THR HB 1 121 GLU HA 4.600 . 5.500 4.715 4.177 5.470 . 0 0 "[ . 1 . 2]" 1
1559 1 23 THR MG 1 119 ASN HA 3.100 . 3.800 2.552 1.806 3.377 . 0 0 "[ . 1 . 2]" 1
1560 1 23 THR MG 1 119 ASN HB2 4.000 . 4.800 4.143 3.140 4.884 0.084 4 0 "[ . 1 . 2]" 1
1561 1 23 THR MG 1 119 ASN HB3 3.600 . 4.400 3.961 3.371 4.472 0.072 1 0 "[ . 1 . 2]" 1
1562 1 23 THR MG 1 120 PHE HA 4.900 . 6.000 3.392 3.109 3.875 . 0 0 "[ . 1 . 2]" 1
1563 1 23 THR MG 1 121 GLU HA 3.600 . 4.400 2.940 2.466 3.399 . 0 0 "[ . 1 . 2]" 1
1564 1 23 THR MG 1 121 GLU HG2 3.700 . 4.400 3.350 1.793 4.459 0.059 9 0 "[ . 1 . 2]" 1
1565 1 23 THR MG 1 121 GLU HG3 3.900 . 4.700 3.361 2.155 4.780 0.080 18 0 "[ . 1 . 2]" 1
1566 1 24 TRP HA 1 38 LEU QD 4.900 . 5.900 3.384 2.888 3.952 . 0 0 "[ . 1 . 2]" 1
1567 1 24 TRP HD1 1 101 CYS QB 3.700 . 4.400 2.963 2.210 3.649 . 0 0 "[ . 1 . 2]" 1
1568 1 24 TRP HD1 1 38 LEU QD 5.000 . 6.300 3.453 2.880 4.274 . 0 0 "[ . 1 . 2]" 1
1569 1 24 TRP HD1 1 61 PHE HB2 4.600 . 5.500 3.957 3.307 5.508 0.008 19 0 "[ . 1 . 2]" 1
1570 1 24 TRP HD1 1 61 PHE HB3 4.300 . 5.300 2.437 1.781 4.077 0.019 17 0 "[ . 1 . 2]" 1
1571 1 24 TRP HD1 1 61 PHE HD1 3.900 . 4.700 1.944 1.765 2.578 0.035 15 0 "[ . 1 . 2]" 1
1572 1 24 TRP HE1 1 38 LEU QD 3.900 . 4.800 3.018 2.516 3.847 . 0 0 "[ . 1 . 2]" 1
1573 1 24 TRP HE1 1 63 GLY HA2 5.000 . 6.100 2.981 1.981 6.118 0.018 19 0 "[ . 1 . 2]" 1
1574 1 24 TRP HE1 1 63 GLY HA3 4.500 . 5.500 4.504 3.702 5.416 . 0 0 "[ . 1 . 2]" 1
1575 1 24 TRP HE1 1 64 LEU H 4.400 . 5.400 3.335 2.305 4.354 . 0 0 "[ . 1 . 2]" 1
1576 1 24 TRP HH2 1 76 VAL HA 4.700 . 5.600 3.849 1.773 5.629 0.029 16 0 "[ . 1 . 2]" 1
1577 1 24 TRP HH2 1 76 VAL HB 4.800 . 5.800 3.648 2.115 5.499 . 0 0 "[ . 1 . 2]" 1
1578 1 24 TRP HH2 1 76 VAL MG2 4.200 . 4.900 2.860 2.043 4.933 0.033 17 0 "[ . 1 . 2]" 1
1579 1 24 TRP HH2 1 76 VAL QG 3.700 . 4.600 2.490 1.980 3.696 . 0 0 "[ . 1 . 2]" 1
1580 1 24 TRP HZ2 1 38 LEU QD 4.900 . 6.000 3.553 2.882 4.502 . 0 0 "[ . 1 . 2]" 1
1581 1 24 TRP HZ2 1 76 VAL HB 4.800 . 5.600 3.211 2.104 5.205 . 0 0 "[ . 1 . 2]" 1
1582 1 24 TRP HZ2 1 76 VAL QG 3.600 . 4.500 2.584 1.797 3.464 0.003 9 0 "[ . 1 . 2]" 1
1583 1 27 SER HA 1 38 LEU QD 5.000 . 6.100 3.616 3.319 4.087 . 0 0 "[ . 1 . 2]" 1
1584 1 27 SER HB2 1 38 LEU QD 5.400 . 6.600 2.483 1.776 3.541 0.024 1 0 "[ . 1 . 2]" 1
1585 1 27 SER HB3 1 38 LEU QD 4.500 . 5.500 2.200 1.746 3.625 0.054 10 0 "[ . 1 . 2]" 1
1586 1 28 GLU HA 1 37 HIS HA 4.800 . 5.800 4.708 4.336 5.425 . 0 0 "[ . 1 . 2]" 1
1587 1 28 GLU HA 1 38 LEU H 4.600 . 5.400 4.115 3.291 4.609 . 0 0 "[ . 1 . 2]" 1
1588 1 28 GLU HA 1 38 LEU QD 4.100 . 4.800 2.390 1.781 3.541 0.019 6 0 "[ . 1 . 2]" 1
1589 1 28 GLU HA 1 38 LEU HG 4.100 . 4.900 4.370 2.414 5.156 0.256 12 0 "[ . 1 . 2]" 1
1590 1 28 GLU HA 1 76 VAL QG 4.900 . 6.100 4.404 3.710 5.268 . 0 0 "[ . 1 . 2]" 1
1591 1 28 GLU H 1 38 LEU QD 4.200 . 4.900 2.836 2.594 3.214 . 0 0 "[ . 1 . 2]" 1
1592 1 31 CYS HA 1 37 HIS HA 4.700 . 5.600 5.226 4.595 5.645 0.045 14 0 "[ . 1 . 2]" 1
1593 1 31 CYS HA 1 38 LEU H 5.800 . 7.000 6.572 5.936 7.065 0.065 8 0 "[ . 1 . 2]" 1
1594 1 31 CYS HB2 1 37 HIS HA 3.600 . 4.300 3.791 3.156 4.400 0.100 10 0 "[ . 1 . 2]" 1
1595 1 31 CYS HB2 1 38 LEU H 4.400 . 5.300 4.163 3.078 4.751 . 0 0 "[ . 1 . 2]" 1
1596 1 31 CYS HB3 1 37 HIS HA 3.600 . 4.300 2.979 2.217 3.761 . 0 0 "[ . 1 . 2]" 1
1597 1 31 CYS HB3 1 38 LEU H 4.600 . 5.500 4.172 3.604 4.717 . 0 0 "[ . 1 . 2]" 1
1598 1 32 SER HB2 1 76 VAL QG 6.100 . 7.500 5.917 4.254 7.423 . 0 0 "[ . 1 . 2]" 1
1599 1 32 SER HB3 1 76 VAL QG 6.000 . 7.400 5.886 4.908 6.501 . 0 0 "[ . 1 . 2]" 1
1600 1 34 MET ME 1 126 CYS HB3 3.700 . 4.500 3.671 3.049 4.530 0.030 4 0 "[ . 1 . 2]" 1
1601 1 34 MET ME 1 128 ILE MD 4.900 . 5.900 4.974 3.090 5.941 0.041 2 0 "[ . 1 . 2]" 1
1602 1 35 GLY HA2 1 128 ILE MD 4.300 . 5.300 4.501 3.790 5.358 0.058 6 0 "[ . 1 . 2]" 1
1603 1 35 GLY HA3 1 128 ILE MD 5.300 . 6.500 3.249 2.465 4.427 . 0 0 "[ . 1 . 2]" 1
1604 1 36 ALA HA 1 128 ILE HA 4.200 . 5.000 2.588 2.031 3.096 . 0 0 "[ . 1 . 2]" 1
1605 1 36 ALA HA 1 128 ILE HB 4.200 . 5.000 3.403 2.147 5.038 0.038 14 0 "[ . 1 . 2]" 1
1606 1 36 ALA HA 1 128 ILE MD 4.100 . 5.000 3.655 2.959 4.364 . 0 0 "[ . 1 . 2]" 1
1607 1 36 ALA HA 1 128 ILE HG12 4.200 . 5.000 3.763 2.089 4.659 . 0 0 "[ . 1 . 2]" 1
1608 1 36 ALA HA 1 128 ILE MG 4.200 . 5.100 4.244 3.410 5.078 . 0 0 "[ . 1 . 2]" 1
1609 1 36 ALA MB 1 126 CYS HA 4.100 . 5.000 4.046 3.635 4.599 . 0 0 "[ . 1 . 2]" 1
1610 1 36 ALA MB 1 126 CYS HB2 4.200 . 4.900 3.983 2.826 4.554 . 0 0 "[ . 1 . 2]" 1
1611 1 36 ALA MB 1 126 CYS HB3 3.500 . 4.300 3.024 2.147 3.780 . 0 0 "[ . 1 . 2]" 1
1612 1 36 ALA MB 1 128 ILE HA 4.300 . 5.300 3.165 2.530 3.718 . 0 0 "[ . 1 . 2]" 1
1613 1 36 ALA MB 1 128 ILE MD 3.900 . 4.900 2.739 2.172 3.462 . 0 0 "[ . 1 . 2]" 1
1614 1 36 ALA MB 1 128 ILE HG12 3.900 . 4.800 3.679 1.698 4.664 0.102 18 0 "[ . 1 . 2]" 1
1615 1 36 ALA MB 1 128 ILE MG 3.600 . 4.200 3.407 2.764 4.149 . 0 0 "[ . 1 . 2]" 1
1616 1 37 HIS HB2 1 76 VAL MG2 4.900 . 6.000 5.043 3.123 6.049 0.049 8 0 "[ . 1 . 2]" 1
1617 1 37 HIS HB3 1 76 VAL MG2 4.800 . 5.900 4.023 1.836 5.895 . 0 0 "[ . 1 . 2]" 1
1618 1 37 HIS HD2 1 77 ASP HA 5.500 . 6.400 3.853 1.815 5.895 . 0 0 "[ . 1 . 2]" 1
1619 1 37 HIS HD2 1 77 ASP HB3 3.300 . 4.000 3.507 1.793 4.185 0.185 6 0 "[ . 1 . 2]" 1
1620 1 37 HIS HE1 1 77 ASP HA 4.800 . 5.600 5.131 4.111 5.750 0.150 6 0 "[ . 1 . 2]" 1
1621 1 37 HIS H 1 127 LYS H 3.200 . 3.800 2.890 2.553 3.080 . 0 0 "[ . 1 . 2]" 1
1622 1 38 LEU HA 1 126 CYS HA 3.500 . 4.200 2.620 2.088 3.050 . 0 0 "[ . 1 . 2]" 1
1623 1 38 LEU HA 1 127 LYS H 4.600 . 5.500 3.531 3.239 3.938 . 0 0 "[ . 1 . 2]" 1
1624 1 38 LEU HB2 1 76 VAL MG1 4.200 . 5.100 2.911 1.974 4.270 . 0 0 "[ . 1 . 2]" 1
1625 1 38 LEU HB3 1 63 GLY H 4.800 . 5.800 3.604 2.922 5.137 . 0 0 "[ . 1 . 2]" 1
1626 1 38 LEU QD 1 124 ARG HA 4.600 . 5.400 4.043 3.117 4.920 . 0 0 "[ . 1 . 2]" 1
1627 1 38 LEU QD 1 126 CYS HA 4.500 . 5.500 3.341 2.904 3.700 . 0 0 "[ . 1 . 2]" 1
1628 1 38 LEU QD 1 61 PHE HB2 4.600 . 5.600 3.225 2.582 4.090 . 0 0 "[ . 1 . 2]" 1
1629 1 38 LEU QD 1 76 VAL MG1 4.800 . 5.000 3.217 2.609 4.117 . 0 0 "[ . 1 . 2]" 1
1630 1 28 GLU QB 1 38 LEU QD 3.800 . 4.700 2.523 1.917 3.616 . 0 0 "[ . 1 . 2]" 1
1631 1 28 GLU QG 1 38 LEU QD 5.400 . 6.600 2.961 1.634 3.867 0.166 15 0 "[ . 1 . 2]" 1
1632 1 39 MET HA 1 127 LYS HA 5.500 . 6.600 4.610 3.930 5.265 . 0 0 "[ . 1 . 2]" 1
1633 1 39 MET HA 1 127 LYS HB3 3.900 . 4.700 2.558 1.719 3.088 0.081 13 0 "[ . 1 . 2]" 1
1634 1 39 MET QB 1 125 ILE MD 3.300 . 4.000 3.057 2.480 4.151 0.151 12 0 "[ . 1 . 2]" 1
1635 1 39 MET ME 1 104 LEU QD 4.200 . 4.800 3.485 3.178 3.832 . 0 0 "[ . 1 . 2]" 1
1636 1 39 MET ME 1 125 ILE MD 4.300 . 5.400 3.617 2.709 4.683 . 0 0 "[ . 1 . 2]" 1
1637 1 39 MET ME 1 46 GLU QB 3.300 . 4.000 3.559 1.772 4.075 0.075 14 0 "[ . 1 . 2]" 1
1638 1 39 MET ME 1 46 GLU HG3 2.900 . 3.600 3.144 2.671 3.749 0.149 3 0 "[ . 1 . 2]" 1
1639 1 39 MET ME 1 47 GLN HA 3.700 . 4.500 3.239 2.440 3.725 . 0 0 "[ . 1 . 2]" 1
1640 1 39 MET ME 1 50 ILE H 4.300 . 5.300 4.459 3.758 4.859 . 0 0 "[ . 1 . 2]" 1
1641 1 39 MET ME 1 50 ILE HA 5.100 . 6.200 5.031 4.500 5.481 . 0 0 "[ . 1 . 2]" 1
1642 1 39 MET ME 1 50 ILE HB 3.300 . 4.100 2.983 2.324 3.460 . 0 0 "[ . 1 . 2]" 1
1643 1 39 MET ME 1 50 ILE MD 4.500 . 5.600 3.800 3.239 4.269 . 0 0 "[ . 1 . 2]" 1
1644 1 39 MET ME 1 50 ILE HG12 3.100 . 3.800 2.899 2.229 3.278 . 0 0 "[ . 1 . 2]" 1
1645 1 39 MET ME 1 50 ILE HG13 3.600 . 4.400 4.129 3.622 4.434 0.034 14 0 "[ . 1 . 2]" 1
1646 1 39 MET ME 1 50 ILE MG 3.200 . 4.000 1.903 1.743 2.272 0.057 19 0 "[ . 1 . 2]" 1
1647 1 39 MET ME 1 62 LEU QD 5.000 . 6.000 3.499 2.884 3.854 . 0 0 "[ . 1 . 2]" 1
1648 1 39 MET H 1 126 CYS HA 4.500 . 5.400 3.206 2.488 3.644 . 0 0 "[ . 1 . 2]" 1
1649 1 39 MET H 1 127 LYS HB3 3.900 . 4.600 4.442 3.856 4.704 0.104 8 0 "[ . 1 . 2]" 1
1650 1 39 MET H 1 62 LEU QD 5.900 . 7.000 4.226 3.756 5.477 . 0 0 "[ . 1 . 2]" 1
1651 1 40 THR HB 1 79 THR MG 4.700 . 5.700 4.012 2.335 5.766 0.066 19 0 "[ . 1 . 2]" 1
1652 1 40 THR MG 1 75 TRP HB3 5.200 . 6.300 2.270 1.739 4.880 0.061 9 0 "[ . 1 . 2]" 1
1653 1 40 THR MG 1 75 TRP HE3 4.500 . 5.500 2.268 1.767 4.517 0.033 7 0 "[ . 1 . 2]" 1
1654 1 40 THR MG 1 76 VAL MG1 5.600 . 6.900 3.021 1.821 4.701 . 0 0 "[ . 1 . 2]" 1
1655 1 40 THR MG 1 76 VAL MG2 5.400 . 6.700 4.093 1.946 6.386 . 0 0 "[ . 1 . 2]" 1
1656 1 40 THR MG 1 77 ASP H 4.800 . 5.900 3.146 2.049 4.781 . 0 0 "[ . 1 . 2]" 1
1657 1 40 THR MG 1 79 THR HB 4.300 . 5.300 3.789 2.972 4.974 . 0 0 "[ . 1 . 2]" 1
1658 1 40 THR MG 1 79 THR MG 3.900 . 4.900 4.332 3.402 4.847 . 0 0 "[ . 1 . 2]" 1
1659 1 40 THR H 1 127 LYS HB3 3.700 . 4.400 3.291 2.466 4.427 0.027 3 0 "[ . 1 . 2]" 1
1660 1 41 ILE HB 1 113 TRP HE1 5.000 . 6.000 4.324 3.175 5.103 . 0 0 "[ . 1 . 2]" 1
1661 1 41 ILE HB 1 113 TRP HH2 4.900 . 5.900 4.312 2.908 4.935 . 0 0 "[ . 1 . 2]" 1
1662 1 41 ILE HB 1 113 TRP HZ2 3.600 . 4.300 2.802 2.157 3.309 . 0 0 "[ . 1 . 2]" 1
1663 1 41 ILE HB 1 62 LEU QD 5.300 . 6.500 3.891 3.565 4.775 . 0 0 "[ . 1 . 2]" 1
1664 1 41 ILE HB 1 75 TRP HZ2 4.200 . 5.000 3.803 3.012 4.808 . 0 0 "[ . 1 . 2]" 1
1665 1 41 ILE MD 1 104 LEU HB3 4.300 . 5.100 5.035 4.856 5.217 0.117 4 0 "[ . 1 . 2]" 1
1666 1 41 ILE MD 1 104 LEU QD 3.500 . 3.600 2.080 1.737 2.555 0.063 5 0 "[ . 1 . 2]" 1
1667 1 41 ILE MD 1 113 TRP HD1 4.300 . 5.200 4.093 3.526 5.082 . 0 0 "[ . 1 . 2]" 1
1668 1 41 ILE MD 1 113 TRP HE1 3.400 . 4.200 2.263 1.768 3.458 0.032 16 0 "[ . 1 . 2]" 1
1669 1 41 ILE MD 1 113 TRP HZ2 3.500 . 4.300 2.862 2.015 4.331 0.031 13 0 "[ . 1 . 2]" 1
1670 1 41 ILE MD 1 47 GLN H 3.500 . 4.300 4.100 3.805 4.341 0.041 7 0 "[ . 1 . 2]" 1
1671 1 41 ILE MD 1 47 GLN HA 3.600 . 4.400 3.016 2.645 3.625 . 0 0 "[ . 1 . 2]" 1
1672 1 41 ILE MD 1 47 GLN HB2 3.000 . 3.700 2.246 1.924 2.708 . 0 0 "[ . 1 . 2]" 1
1673 1 41 ILE MD 1 47 GLN HG2 4.000 . 4.900 3.598 2.338 4.125 . 0 0 "[ . 1 . 2]" 1
1674 1 41 ILE MD 1 47 GLN HG3 3.900 . 4.800 2.625 2.052 4.272 . 0 0 "[ . 1 . 2]" 1
1675 1 41 ILE MD 1 48 ASN H 5.600 . 6.500 5.434 5.234 5.672 . 0 0 "[ . 1 . 2]" 1
1676 1 41 ILE MD 1 50 ILE MG 3.900 . 4.900 3.451 3.046 3.940 . 0 0 "[ . 1 . 2]" 1
1677 1 41 ILE MD 1 62 LEU QD 3.800 . 4.800 2.181 1.864 2.670 . 0 0 "[ . 1 . 2]" 1
1678 1 41 ILE MD 1 87 PHE QD 4.100 . 5.100 3.717 2.879 4.763 . 0 0 "[ . 1 . 2]" 1
1679 1 41 ILE MD 1 87 PHE HE2 4.600 . 5.800 4.030 2.886 5.967 0.167 10 0 "[ . 1 . 2]" 1
1680 1 41 ILE HG12 1 113 TRP HE1 4.800 . 5.800 4.940 3.664 5.592 . 0 0 "[ . 1 . 2]" 1
1681 1 41 ILE HG12 1 47 GLN HA 4.800 . 5.800 3.970 3.456 5.825 0.025 8 0 "[ . 1 . 2]" 1
1682 1 41 ILE MG 1 113 TRP HH2 4.300 . 5.300 4.773 4.014 5.329 0.029 2 0 "[ . 1 . 2]" 1
1683 1 41 ILE MG 1 113 TRP HZ2 4.000 . 4.900 3.196 2.538 3.697 . 0 0 "[ . 1 . 2]" 1
1684 1 41 ILE MG 1 47 GLN HA 4.400 . 5.400 3.388 3.107 3.636 . 0 0 "[ . 1 . 2]" 1
1685 1 41 ILE MG 1 47 GLN HG2 4.200 . 5.100 4.324 3.460 4.740 . 0 0 "[ . 1 . 2]" 1
1686 1 41 ILE MG 1 47 GLN HG3 3.800 . 4.700 3.672 2.806 4.601 . 0 0 "[ . 1 . 2]" 1
1687 1 41 ILE MG 1 75 TRP HZ2 4.300 . 5.300 4.679 4.137 5.326 0.026 10 0 "[ . 1 . 2]" 1
1688 1 41 ILE MG 1 87 PHE QD 3.800 . 4.500 3.730 2.697 4.433 . 0 0 "[ . 1 . 2]" 1
1689 1 41 ILE MG 1 87 PHE HE2 4.100 . 5.100 2.760 1.890 5.195 0.095 10 0 "[ . 1 . 2]" 1
1690 1 42 SER HA 1 79 THR MG 4.300 . 5.300 3.994 1.885 5.316 0.016 2 0 "[ . 1 . 2]" 1
1691 1 43 THR HA 1 85 ARG HD2 3.800 . 4.600 3.688 3.046 4.635 0.035 8 0 "[ . 1 . 2]" 1
1692 1 43 THR HA 1 85 ARG HD3 3.700 . 4.400 3.477 2.319 4.550 0.150 14 0 "[ . 1 . 2]" 1
1693 1 43 THR HA 1 87 PHE HZ 4.600 . 5.500 5.327 4.537 5.556 0.056 20 0 "[ . 1 . 2]" 1
1694 1 44 GLU HA 1 87 PHE HZ 4.000 . 4.800 2.535 1.917 3.148 . 0 0 "[ . 1 . 2]" 1
1695 1 44 GLU HB2 1 87 PHE HE1 4.900 . 5.900 4.561 3.157 6.421 0.521 10 1 "[ . + . 2]" 1
1696 1 44 GLU HB2 1 87 PHE HZ 4.400 . 5.300 3.750 2.716 4.999 . 0 0 "[ . 1 . 2]" 1
1697 1 44 GLU HG2 1 87 PHE HZ 5.000 . 6.000 3.590 1.791 5.379 0.009 16 0 "[ . 1 . 2]" 1
1698 1 44 GLU HG3 1 87 PHE HZ 5.000 . 6.000 4.095 2.505 5.874 . 0 0 "[ . 1 . 2]" 1
1699 1 44 GLU H 1 87 PHE HZ 4.100 . 5.100 4.160 3.517 4.565 . 0 0 "[ . 1 . 2]" 1
1700 1 47 GLN HA 1 104 LEU QD 5.500 . 6.700 3.689 3.089 4.027 . 0 0 "[ . 1 . 2]" 1
1701 1 47 GLN HB2 1 87 PHE QD 4.500 . 5.500 4.659 3.847 5.518 0.018 3 0 "[ . 1 . 2]" 1
1702 1 47 GLN HB2 1 87 PHE QE 4.000 . 4.700 3.749 2.721 4.625 . 0 0 "[ . 1 . 2]" 1
1703 1 47 GLN HB2 1 87 PHE HZ 4.200 . 5.000 4.686 3.923 5.071 0.071 2 0 "[ . 1 . 2]" 1
1704 1 47 GLN HE21 1 104 LEU QD 4.900 . 6.000 2.566 1.443 3.556 0.357 13 0 "[ . 1 . 2]" 1
1705 1 47 GLN HE21 1 104 LEU HG 4.800 . 5.700 5.097 3.751 5.766 0.066 18 0 "[ . 1 . 2]" 1
1706 1 47 GLN HG2 1 104 LEU QD 4.400 . 5.400 3.390 2.120 4.171 . 0 0 "[ . 1 . 2]" 1
1707 1 47 GLN HG3 1 104 LEU QD 4.000 . 4.900 2.857 2.203 3.984 . 0 0 "[ . 1 . 2]" 1
1708 1 47 GLN HG3 1 62 LEU QD 5.400 . 6.200 4.674 3.971 5.939 . 0 0 "[ . 1 . 2]" 1
1709 1 47 GLN HG3 1 87 PHE QD 4.900 . 6.000 4.766 2.916 5.996 . 0 0 "[ . 1 . 2]" 1
1710 1 50 ILE MD 1 125 ILE HA 5.300 . 6.500 5.558 5.168 6.162 . 0 0 "[ . 1 . 2]" 1
1711 1 50 ILE MD 1 125 ILE HB 4.900 . 6.000 5.471 4.872 6.045 0.045 13 0 "[ . 1 . 2]" 1
1712 1 50 ILE MD 1 125 ILE MG 3.800 . 4.800 3.035 2.555 3.540 . 0 0 "[ . 1 . 2]" 1
1713 1 50 ILE HG12 1 125 ILE MD 4.000 . 4.900 2.690 2.000 3.501 . 0 0 "[ . 1 . 2]" 1
1714 1 50 ILE HG13 1 125 ILE MD 4.000 . 4.900 2.990 2.516 3.817 . 0 0 "[ . 1 . 2]" 1
1715 1 50 ILE MG 1 104 LEU QD 3.800 . 4.800 2.689 2.299 3.110 . 0 0 "[ . 1 . 2]" 1
1716 1 51 ILE HA 1 104 LEU QD 4.400 . 5.400 3.874 3.277 4.233 . 0 0 "[ . 1 . 2]" 1
1717 1 51 ILE HB 1 111 TRP HD1 3.100 . 3.700 2.728 2.170 3.308 . 0 0 "[ . 1 . 2]" 1
1718 1 51 ILE HB 1 111 TRP HE1 3.200 . 3.800 3.134 2.430 3.438 . 0 0 "[ . 1 . 2]" 1
1719 1 51 ILE HB 1 111 TRP HZ2 4.000 . 5.000 4.642 4.009 5.043 0.043 2 0 "[ . 1 . 2]" 1
1720 1 51 ILE MD 1 106 TYR QD 4.500 . 5.700 5.110 4.696 5.610 . 0 0 "[ . 1 . 2]" 1
1721 1 51 ILE MD 1 111 TRP H 4.100 . 5.000 3.493 2.465 4.319 . 0 0 "[ . 1 . 2]" 1
1722 1 51 ILE MD 1 111 TRP HA 4.900 . 6.000 4.893 4.419 5.366 . 0 0 "[ . 1 . 2]" 1
1723 1 51 ILE MD 1 111 TRP HB2 4.000 . 4.900 2.504 2.096 3.073 . 0 0 "[ . 1 . 2]" 1
1724 1 51 ILE MD 1 111 TRP HB3 3.800 . 4.700 3.583 2.898 4.155 . 0 0 "[ . 1 . 2]" 1
1725 1 51 ILE MD 1 111 TRP HD1 3.000 . 3.700 2.310 1.974 2.714 . 0 0 "[ . 1 . 2]" 1
1726 1 51 ILE MD 1 111 TRP HE1 3.600 . 4.400 4.090 3.524 4.444 0.044 12 0 "[ . 1 . 2]" 1
1727 1 51 ILE MG 1 104 LEU QD 3.900 . 4.900 2.160 1.868 2.485 . 0 0 "[ . 1 . 2]" 1
1728 1 51 ILE MG 1 104 LEU HG 4.900 . 6.000 4.217 2.691 5.074 . 0 0 "[ . 1 . 2]" 1
1729 1 51 ILE MG 1 111 TRP HA 5.100 . 6.200 4.506 4.314 4.785 . 0 0 "[ . 1 . 2]" 1
1730 1 51 ILE MG 1 111 TRP HB2 3.600 . 4.400 2.480 1.852 2.997 . 0 0 "[ . 1 . 2]" 1
1731 1 51 ILE MG 1 111 TRP HB3 3.700 . 4.500 2.508 2.151 2.935 . 0 0 "[ . 1 . 2]" 1
1732 1 51 ILE MG 1 111 TRP HD1 3.600 . 4.400 3.609 3.150 3.995 . 0 0 "[ . 1 . 2]" 1
1733 1 51 ILE MG 1 111 TRP HE1 4.300 . 5.000 4.464 3.892 4.729 . 0 0 "[ . 1 . 2]" 1
1734 1 51 ILE MG 1 111 TRP HE3 5.300 . 6.500 3.561 3.225 3.909 . 0 0 "[ . 1 . 2]" 1
1735 1 51 ILE H 1 104 LEU QD 5.100 . 6.200 4.394 3.882 4.752 . 0 0 "[ . 1 . 2]" 1
1736 1 51 ILE H 1 111 TRP HE1 5.500 . 6.700 6.475 5.879 6.740 0.040 1 0 "[ . 1 . 2]" 1
1737 1 54 LEU HA 1 60 TYR QE 3.900 . 4.800 3.797 3.497 4.287 . 0 0 "[ . 1 . 2]" 1
1738 1 54 LEU QD 1 104 LEU QD 4.600 . 4.900 2.185 1.800 2.625 0.000 19 0 "[ . 1 . 2]" 1
1739 1 54 LEU QD 1 111 TRP HE1 5.400 . 6.600 4.852 3.821 5.304 . 0 0 "[ . 1 . 2]" 1
1740 1 54 LEU QD 1 125 ILE MD . . 4.500 1.815 1.704 2.216 0.096 1 0 "[ . 1 . 2]" 1
1741 1 54 LEU QD 1 60 TYR QD 5.500 . 5.700 2.586 2.349 2.784 . 0 0 "[ . 1 . 2]" 1
1742 1 54 LEU QD 1 111 TRP HH2 4.800 . 5.900 3.444 3.007 3.785 . 0 0 "[ . 1 . 2]" 1
1743 1 54 LEU QD 1 111 TRP HZ2 5.200 . 6.300 4.066 3.396 4.258 . 0 0 "[ . 1 . 2]" 1
1744 1 54 LEU QD 1 125 ILE HB 4.600 . 5.400 4.381 4.117 4.737 . 0 0 "[ . 1 . 2]" 1
1745 1 54 LEU QD 1 125 ILE MG 5.200 . 6.400 3.130 2.809 3.788 . 0 0 "[ . 1 . 2]" 1
1746 1 54 LEU QD 1 60 TYR QE 3.900 . 4.800 2.813 2.556 2.960 . 0 0 "[ . 1 . 2]" 1
1747 1 54 LEU HG 1 125 ILE MD 3.700 . 4.400 3.682 3.445 4.222 . 0 0 "[ . 1 . 2]" 1
1748 1 56 ARG HA 1 106 TYR QD 3.800 . 4.600 3.577 3.021 4.132 . 0 0 "[ . 1 . 2]" 1
1749 1 56 ARG HA 1 111 TRP HE1 4.100 . 4.900 3.850 3.134 4.670 . 0 0 "[ . 1 . 2]" 1
1750 1 56 ARG HA 1 111 TRP HH2 3.700 . 4.400 3.013 2.482 3.672 . 0 0 "[ . 1 . 2]" 1
1751 1 56 ARG HA 1 111 TRP HZ2 2.900 . 3.500 1.985 1.703 2.680 0.097 9 0 "[ . 1 . 2]" 1
1752 1 56 ARG QB 1 111 TRP HE1 4.300 . 5.200 4.088 3.723 4.658 . 0 0 "[ . 1 . 2]" 1
1753 1 56 ARG QD 1 106 TYR QD 4.100 . 5.100 3.638 3.092 4.705 . 0 0 "[ . 1 . 2]" 1
1754 1 56 ARG QD 1 106 TYR QE 3.700 . 4.300 2.803 2.270 4.063 . 0 0 "[ . 1 . 2]" 1
1755 1 56 ARG QD 1 111 TRP HE1 4.600 . 5.500 3.433 2.652 3.945 . 0 0 "[ . 1 . 2]" 1
1756 1 56 ARG QD 1 111 TRP HZ2 4.700 . 5.600 4.252 1.753 4.913 0.047 19 0 "[ . 1 . 2]" 1
1757 1 56 ARG HE 1 111 TRP HE1 3.500 . 4.200 3.227 2.651 4.258 0.058 10 0 "[ . 1 . 2]" 1
1758 1 56 ARG HG2 1 106 TYR QD 4.800 . 5.600 3.096 2.539 3.826 . 0 0 "[ . 1 . 2]" 1
1759 1 56 ARG HG2 1 106 TYR QE 5.000 . 6.000 3.544 2.868 4.262 . 0 0 "[ . 1 . 2]" 1
1760 1 56 ARG HG2 1 111 TRP HE1 3.400 . 4.100 2.253 1.790 4.101 0.010 10 0 "[ . 1 . 2]" 1
1761 1 56 ARG HG2 1 111 TRP HZ2 3.500 . 4.200 2.514 1.791 4.212 0.012 19 0 "[ . 1 . 2]" 1
1762 1 56 ARG HG3 1 111 TRP HE1 3.700 . 4.400 3.401 2.519 4.207 . 0 0 "[ . 1 . 2]" 1
1763 1 56 ARG HG3 1 111 TRP HZ2 3.900 . 4.700 3.066 2.615 3.703 . 0 0 "[ . 1 . 2]" 1
1764 1 56 ARG H 1 111 TRP HZ2 4.200 . 5.000 3.349 1.745 4.137 0.055 9 0 "[ . 1 . 2]" 1
1765 1 58 LEU HB3 1 123 SER HB2 3.900 . 4.700 2.778 2.395 3.610 . 0 0 "[ . 1 . 2]" 1
1766 1 58 LEU QD 1 111 TRP HH2 4.500 . 5.200 4.735 4.373 4.990 . 0 0 "[ . 1 . 2]" 1
1767 1 58 LEU QD 1 123 SER HB2 4.900 . 6.000 4.000 3.024 4.353 . 0 0 "[ . 1 . 2]" 1
1768 1 58 LEU QD 1 123 SER HB3 4.900 . 6.000 4.074 3.313 4.517 . 0 0 "[ . 1 . 2]" 1
1769 1 59 SER HA 1 103 VAL HB 4.200 . 5.000 4.231 3.591 5.229 0.229 13 0 "[ . 1 . 2]" 1
1770 1 59 SER HA 1 103 VAL MG1 4.500 . 5.500 4.932 2.494 5.513 0.013 12 0 "[ . 1 . 2]" 1
1771 1 59 SER HA 1 103 VAL MG2 4.400 . 5.400 3.739 2.555 4.166 . 0 0 "[ . 1 . 2]" 1
1772 1 59 SER HA 1 105 VAL HA 3.800 . 4.600 2.560 2.209 2.952 . 0 0 "[ . 1 . 2]" 1
1773 1 59 SER HA 1 105 VAL HB 3.900 . 4.700 3.230 2.589 3.897 . 0 0 "[ . 1 . 2]" 1
1774 1 59 SER HA 1 105 VAL MG1 4.100 . 4.900 4.621 4.200 4.943 0.043 8 0 "[ . 1 . 2]" 1
1775 1 59 SER HA 1 105 VAL MG2 3.600 . 4.400 3.265 2.743 3.734 . 0 0 "[ . 1 . 2]" 1
1776 1 59 SER HA 1 122 ALA MB 4.800 . 5.900 4.723 4.385 4.930 . 0 0 "[ . 1 . 2]" 1
1777 1 59 SER HB3 1 103 VAL HB 3.600 . 4.300 3.509 2.764 4.611 0.311 3 0 "[ . 1 . 2]" 1
1778 1 59 SER HB3 1 103 VAL MG1 3.700 . 4.500 3.836 1.674 4.817 0.317 3 0 "[ . 1 . 2]" 1
1779 1 59 SER HB3 1 103 VAL MG2 3.600 . 4.400 2.475 1.698 3.232 0.102 13 0 "[ . 1 . 2]" 1
1780 1 59 SER HB3 1 105 VAL HB 4.300 . 5.200 2.568 2.194 3.113 . 0 0 "[ . 1 . 2]" 1
1781 1 59 SER HB3 1 105 VAL MG1 4.400 . 5.400 4.052 3.642 4.500 . 0 0 "[ . 1 . 2]" 1
1782 1 59 SER HB3 1 105 VAL MG2 3.900 . 4.800 3.022 2.076 3.602 . 0 0 "[ . 1 . 2]" 1
1783 1 59 SER HB3 1 105 VAL QG 4.300 . 5.400 2.912 2.072 3.404 . 0 0 "[ . 1 . 2]" 1
1784 1 59 SER HB3 1 116 VAL QG 5.400 . 6.600 4.537 3.781 5.293 . 0 0 "[ . 1 . 2]" 1
1785 1 59 SER HB3 1 120 PHE HE2 4.200 . 5.200 4.982 4.580 5.053 . 0 0 "[ . 1 . 2]" 1
1786 1 59 SER HB3 1 122 ALA HA 5.100 . 6.600 6.384 6.108 6.662 0.062 11 0 "[ . 1 . 2]" 1
1787 1 59 SER HB3 1 122 ALA MB 3.800 . 4.700 3.953 3.494 4.408 . 0 0 "[ . 1 . 2]" 1
1788 1 59 SER HB2 1 103 VAL HB 3.800 . 4.600 3.694 2.415 4.429 . 0 0 "[ . 1 . 2]" 1
1789 1 59 SER HB2 1 103 VAL MG1 3.900 . 4.800 3.762 2.963 4.449 . 0 0 "[ . 1 . 2]" 1
1790 1 59 SER HB2 1 103 VAL MG2 4.000 . 4.900 2.827 1.901 3.466 . 0 0 "[ . 1 . 2]" 1
1791 1 59 SER HB2 1 105 VAL HB 4.400 . 5.300 3.806 2.727 4.350 . 0 0 "[ . 1 . 2]" 1
1792 1 59 SER HB2 1 105 VAL MG1 4.700 . 5.700 5.092 4.039 5.492 . 0 0 "[ . 1 . 2]" 1
1793 1 59 SER HB2 1 105 VAL MG2 4.100 . 5.000 3.995 3.424 4.310 . 0 0 "[ . 1 . 2]" 1
1794 1 59 SER HB2 1 105 VAL QG 4.500 . 5.600 3.847 3.345 4.156 . 0 0 "[ . 1 . 2]" 1
1795 1 59 SER HB2 1 120 PHE HE2 4.000 . 5.000 4.163 3.657 4.866 . 0 0 "[ . 1 . 2]" 1
1796 1 59 SER HB2 1 122 ALA HA 5.900 . 6.900 5.093 4.449 6.271 . 0 0 "[ . 1 . 2]" 1
1797 1 59 SER HB2 1 122 ALA MB 3.600 . 4.400 2.873 2.173 3.703 . 0 0 "[ . 1 . 2]" 1
1798 1 59 SER H 1 122 ALA MB 3.300 . 3.900 3.681 3.266 3.923 0.023 2 0 "[ . 1 . 2]" 1
1799 1 60 TYR HA 1 122 ALA MB 4.500 . 5.500 3.915 3.726 4.110 . 0 0 "[ . 1 . 2]" 1
1800 1 60 TYR HA 1 123 SER H 3.300 . 3.900 3.591 3.433 3.754 . 0 0 "[ . 1 . 2]" 1
1801 1 60 TYR HA 1 123 SER HB3 3.700 . 4.400 3.706 2.834 4.484 0.084 6 0 "[ . 1 . 2]" 1
1802 1 60 TYR HA 1 124 ARG H 3.600 . 4.200 3.786 3.460 4.210 0.010 2 0 "[ . 1 . 2]" 1
1803 1 60 TYR HA 1 125 ILE MD 5.400 . 6.600 4.663 4.248 5.225 . 0 0 "[ . 1 . 2]" 1
1804 1 60 TYR HB2 1 103 VAL MG2 5.200 . 6.100 5.402 3.634 5.867 . 0 0 "[ . 1 . 2]" 1
1805 1 60 TYR HB2 1 104 LEU QD 4.500 . 5.400 3.462 3.106 3.884 . 0 0 "[ . 1 . 2]" 1
1806 1 60 TYR HB2 1 125 ILE MD 4.100 . 5.000 2.659 2.357 3.355 . 0 0 "[ . 1 . 2]" 1
1807 1 60 TYR HB3 1 125 ILE MD 4.200 . 5.100 2.663 2.205 3.239 . 0 0 "[ . 1 . 2]" 1
1808 1 60 TYR QD 1 104 LEU HB2 5.700 . 6.800 4.078 3.349 5.040 . 0 0 "[ . 1 . 2]" 1
1809 1 60 TYR QD 1 123 SER HB3 3.800 . 4.600 3.102 2.668 4.429 . 0 0 "[ . 1 . 2]" 1
1810 1 60 TYR QD 1 124 ARG H 4.100 . 4.900 2.764 2.485 3.201 . 0 0 "[ . 1 . 2]" 1
1811 1 60 TYR QD 1 124 ARG HB2 4.300 . 5.200 5.149 4.886 5.262 0.062 20 0 "[ . 1 . 2]" 1
1812 1 60 TYR QD 1 125 ILE MD 3.900 . 4.800 3.253 2.363 3.578 . 0 0 "[ . 1 . 2]" 1
1813 1 60 TYR QE 1 123 SER HB3 3.800 . 4.600 3.120 2.566 4.218 . 0 0 "[ . 1 . 2]" 1
1814 1 60 TYR QE 1 125 ILE MD 4.600 . 5.600 4.319 3.400 4.790 . 0 0 "[ . 1 . 2]" 1
1815 1 60 TYR QE 1 105 VAL HA 5.300 . 6.200 5.389 4.677 5.930 . 0 0 "[ . 1 . 2]" 1
1816 1 60 TYR QE 1 111 TRP HZ2 4.000 . 4.700 4.043 3.644 4.423 . 0 0 "[ . 1 . 2]" 1
1817 1 54 LEU QB 1 60 TYR QE 3.500 . 4.200 2.400 2.108 2.962 . 0 0 "[ . 1 . 2]" 1
1818 1 60 TYR H 1 103 VAL HA 4.100 . 4.900 4.677 4.060 4.911 0.011 2 0 "[ . 1 . 2]" 1
1819 1 60 TYR H 1 103 VAL HB 3.900 . 4.600 3.429 2.943 4.766 0.166 4 0 "[ . 1 . 2]" 1
1820 1 60 TYR H 1 103 VAL MG1 4.300 . 5.300 4.448 2.547 4.866 . 0 0 "[ . 1 . 2]" 1
1821 1 60 TYR H 1 103 VAL MG2 4.300 . 5.300 3.740 2.127 4.247 . 0 0 "[ . 1 . 2]" 1
1822 1 60 TYR H 1 104 LEU H 3.400 . 4.100 3.125 2.846 3.529 . 0 0 "[ . 1 . 2]" 1
1823 1 60 TYR H 1 104 LEU HA 5.200 . 6.200 4.606 4.406 4.923 . 0 0 "[ . 1 . 2]" 1
1824 1 60 TYR H 1 104 LEU HB2 4.000 . 4.800 3.679 2.957 4.497 . 0 0 "[ . 1 . 2]" 1
1825 1 60 TYR H 1 104 LEU HB3 4.300 . 5.200 3.708 2.894 4.253 . 0 0 "[ . 1 . 2]" 1
1826 1 60 TYR H 1 105 VAL HA 5.000 . 6.000 3.672 3.253 4.015 . 0 0 "[ . 1 . 2]" 1
1827 1 60 TYR H 1 122 ALA MB 4.700 . 5.700 4.877 4.542 5.067 . 0 0 "[ . 1 . 2]" 1
1828 1 60 TYR H 1 125 ILE MD 4.800 . 5.900 4.784 4.556 5.463 . 0 0 "[ . 1 . 2]" 1
1829 1 61 PHE HA 1 103 VAL MG2 4.500 . 5.500 4.140 2.419 4.591 . 0 0 "[ . 1 . 2]" 1
1830 1 61 PHE HB3 1 103 VAL MG2 5.600 . 6.700 6.169 4.258 6.590 . 0 0 "[ . 1 . 2]" 1
1831 1 61 PHE HB3 1 124 ARG HA 4.700 . 5.600 4.346 4.022 4.721 . 0 0 "[ . 1 . 2]" 1
1832 1 61 PHE QE 1 116 VAL QG 5.200 . 6.400 2.629 1.691 3.668 0.109 13 0 "[ . 1 . 2]" 1
1833 1 61 PHE QE 1 120 PHE HB2 5.000 . 6.100 5.214 4.396 5.812 . 0 0 "[ . 1 . 2]" 1
1834 1 61 PHE QE 1 120 PHE HB3 4.200 . 5.100 3.844 2.828 4.854 . 0 0 "[ . 1 . 2]" 1
1835 1 61 PHE H 1 103 VAL MG2 4.400 . 5.400 5.049 3.051 5.461 0.061 7 0 "[ . 1 . 2]" 1
1836 1 61 PHE H 1 122 ALA MB 3.900 . 4.800 3.723 3.476 3.890 . 0 0 "[ . 1 . 2]" 1
1837 1 61 PHE H 1 123 SER H 4.600 . 5.500 4.378 4.088 4.605 . 0 0 "[ . 1 . 2]" 1
1838 1 61 PHE H 1 124 ARG HA 3.200 . 3.800 2.369 1.989 2.931 . 0 0 "[ . 1 . 2]" 1
1839 1 61 PHE H 1 124 ARG HB2 4.800 . 5.900 4.619 3.298 5.826 . 0 0 "[ . 1 . 2]" 1
1840 1 61 PHE H 1 124 ARG HB3 4.600 . 5.500 3.991 2.957 5.555 0.055 7 0 "[ . 1 . 2]" 1
1841 1 62 LEU HB2 1 102 VAL MG2 5.200 . 6.300 2.866 1.866 5.061 . 0 0 "[ . 1 . 2]" 1
1842 1 62 LEU QD 1 125 ILE HB 5.700 . 6.700 3.493 2.583 4.981 . 0 0 "[ . 1 . 2]" 1
1843 1 62 LEU QD 1 125 ILE MD 3.900 . 4.900 2.733 2.133 3.450 . 0 0 "[ . 1 . 2]" 1
1844 1 62 LEU QD 1 102 VAL MG2 3.700 . 4.600 2.369 1.829 3.805 . 0 0 "[ . 1 . 2]" 1
1845 1 62 LEU QD 1 103 VAL MG1 5.500 . 6.800 4.479 3.421 4.944 . 0 0 "[ . 1 . 2]" 1
1846 1 62 LEU QD 1 104 LEU H 5.100 . 6.200 2.969 1.886 3.360 . 0 0 "[ . 1 . 2]" 1
1847 1 62 LEU QD 1 113 TRP HD1 5.200 . 6.300 2.865 1.911 4.021 . 0 0 "[ . 1 . 2]" 1
1848 1 62 LEU QD 1 113 TRP HE1 4.200 . 5.100 2.777 1.802 4.360 . 0 0 "[ . 1 . 2]" 1
1849 1 62 LEU QD 1 75 TRP HH2 4.900 . 5.800 3.412 2.342 4.944 . 0 0 "[ . 1 . 2]" 1
1850 1 62 LEU HG 1 102 VAL MG2 4.400 . 5.200 3.737 3.001 5.275 0.075 18 0 "[ . 1 . 2]" 1
1851 1 62 LEU HG 1 104 LEU H 3.500 . 4.100 2.726 2.241 4.313 0.213 18 0 "[ . 1 . 2]" 1
1852 1 62 LEU H 1 103 VAL MG2 4.500 . 5.400 5.127 3.978 5.522 0.122 19 0 "[ . 1 . 2]" 1
1853 1 62 LEU H 1 104 LEU H 4.800 . 5.800 4.198 3.747 4.582 . 0 0 "[ . 1 . 2]" 1
1854 1 63 GLY HA2 1 76 VAL MG1 4.400 . 5.400 3.214 2.216 4.659 . 0 0 "[ . 1 . 2]" 1
1855 1 63 GLY HA3 1 76 VAL MG1 3.900 . 4.800 3.056 1.995 4.879 0.079 9 0 "[ . 1 . 2]" 1
1856 1 63 GLY HA3 1 76 VAL MG2 4.700 . 5.700 4.038 1.918 5.874 0.174 19 0 "[ . 1 . 2]" 1
1857 1 63 GLY H 1 75 TRP HZ3 4.500 . 5.400 2.960 2.138 4.458 . 0 0 "[ . 1 . 2]" 1
1858 1 64 LEU HA 1 75 TRP HA 3.700 . 4.400 2.342 1.770 2.913 0.030 6 0 "[ . 1 . 2]" 1
1859 1 64 LEU HB2 1 73 TRP HE3 4.000 . 4.700 4.173 2.343 4.765 0.065 5 0 "[ . 1 . 2]" 1
1860 1 64 LEU HB3 1 102 VAL MG1 4.000 . 4.900 3.643 1.778 5.003 0.103 8 0 "[ . 1 . 2]" 1
1861 1 64 LEU QD 1 102 VAL MG1 5.100 . 5.400 2.641 1.871 4.287 . 0 0 "[ . 1 . 2]" 1
1862 1 64 LEU QD 1 102 VAL MG2 5.700 . 5.800 2.308 1.687 3.663 0.113 6 0 "[ . 1 . 2]" 1
1863 1 64 LEU QD 1 73 TRP HA 4.900 . 6.000 3.746 2.552 5.647 . 0 0 "[ . 1 . 2]" 1
1864 1 64 LEU QD 1 73 TRP HB2 4.900 . 6.000 3.531 2.476 5.341 . 0 0 "[ . 1 . 2]" 1
1865 1 64 LEU QD 1 73 TRP HB3 4.100 . 5.000 2.360 1.750 3.902 0.050 2 0 "[ . 1 . 2]" 1
1866 1 64 LEU QD 1 73 TRP HE3 4.600 . 5.600 2.511 1.706 3.994 0.094 1 0 "[ . 1 . 2]" 1
1867 1 64 LEU QD 1 74 ARG H 4.300 . 5.300 3.322 2.543 4.594 . 0 0 "[ . 1 . 2]" 1
1868 1 64 LEU QD 1 75 TRP H 4.700 . 5.700 3.747 2.995 5.223 . 0 0 "[ . 1 . 2]" 1
1869 1 64 LEU QD 1 75 TRP HA 4.300 . 5.300 2.860 1.827 4.267 . 0 0 "[ . 1 . 2]" 1
1870 1 64 LEU QD 1 75 TRP HD1 5.700 . 6.900 3.936 3.169 5.000 . 0 0 "[ . 1 . 2]" 1
1871 1 64 LEU QD 1 75 TRP HE3 5.300 . 6.500 3.491 2.732 4.212 . 0 0 "[ . 1 . 2]" 1
1872 1 64 LEU QD 1 75 TRP HZ2 5.000 . 5.700 3.248 2.692 4.349 . 0 0 "[ . 1 . 2]" 1
1873 1 64 LEU QD 1 81 PHE HD1 4.100 . 5.100 2.323 1.851 3.422 . 0 0 "[ . 1 . 2]" 1
1874 1 64 LEU QD 1 102 VAL HB 5.400 . 6.600 3.890 1.857 4.709 . 0 0 "[ . 1 . 2]" 1
1875 1 64 LEU QD 1 113 TRP HE3 6.000 . 7.300 3.382 2.569 4.567 . 0 0 "[ . 1 . 2]" 1
1876 1 64 LEU QD 1 113 TRP HZ3 4.700 . 5.700 2.824 1.929 4.015 . 0 0 "[ . 1 . 2]" 1
1877 1 64 LEU QD 1 86 VAL MG2 4.900 . 6.100 4.213 3.424 5.264 . 0 0 "[ . 1 . 2]" 1
1878 1 64 LEU H 1 102 VAL MG1 5.800 . 7.100 4.995 2.635 6.129 . 0 0 "[ . 1 . 2]" 1
1879 1 65 ARG HA 1 101 CYS HA 3.800 . 4.600 3.589 2.230 4.642 0.042 19 0 "[ . 1 . 2]" 1
1880 1 65 ARG HA 1 73 TRP HZ3 4.600 . 5.500 4.591 2.649 5.549 0.049 13 0 "[ . 1 . 2]" 1
1881 1 65 ARG HG3 1 101 CYS HA 5.800 . 7.300 5.887 4.148 7.092 . 0 0 "[ . 1 . 2]" 1
1882 1 65 ARG H 1 74 ARG H 3.400 . 4.100 3.174 2.837 3.740 . 0 0 "[ . 1 . 2]" 1
1883 1 65 ARG H 1 75 TRP HA 4.900 . 5.900 3.350 2.807 3.945 . 0 0 "[ . 1 . 2]" 1
1884 1 66 ASP H 1 101 CYS HA 4.600 . 5.400 3.452 2.794 4.233 . 0 0 "[ . 1 . 2]" 1
1885 1 66 ASP H 1 73 TRP HE3 5.000 . 5.900 4.727 3.702 5.853 . 0 0 "[ . 1 . 2]" 1
1886 1 66 ASP H 1 73 TRP HZ3 4.700 . 5.600 4.185 2.732 5.643 0.043 6 0 "[ . 1 . 2]" 1
1887 1 67 GLU HA 1 99 GLU HA 3.300 . 4.000 3.038 1.784 4.047 0.047 11 0 "[ . 1 . 2]" 1
1888 1 67 GLU HA 1 99 GLU HG2 4.500 . 5.300 4.072 2.387 5.331 0.031 14 0 "[ . 1 . 2]" 1
1889 1 67 GLU HA 1 99 GLU HG3 4.700 . 5.600 4.653 2.737 5.732 0.132 16 0 "[ . 1 . 2]" 1
1890 1 69 ALA MB 1 97 GLN HA 3.300 . 4.100 3.559 2.022 4.246 0.146 12 0 "[ . 1 . 2]" 1
1891 1 69 ALA MB 1 97 GLN HB2 4.300 . 5.300 4.462 2.717 5.395 0.095 8 0 "[ . 1 . 2]" 1
1892 1 69 ALA MB 1 97 GLN HB3 5.200 . 6.100 4.177 2.339 6.094 . 0 0 "[ . 1 . 2]" 1
1893 1 69 ALA MB 1 98 GLY H 4.000 . 4.900 3.330 1.745 4.988 0.088 16 0 "[ . 1 . 2]" 1
1894 1 73 TRP HB3 1 81 PHE HE1 5.400 . 6.500 4.100 3.117 5.114 . 0 0 "[ . 1 . 2]" 1
1895 1 73 TRP HE1 1 88 TRP HZ2 4.600 . 5.400 4.368 3.246 5.445 0.045 6 0 "[ . 1 . 2]" 1
1896 1 73 TRP HE3 1 102 VAL MG1 4.700 . 5.700 4.083 3.192 5.734 0.034 18 0 "[ . 1 . 2]" 1
1897 1 73 TRP HH2 1 100 ASN HB2 4.800 . 5.800 4.014 2.550 5.746 . 0 0 "[ . 1 . 2]" 1
1898 1 73 TRP HH2 1 102 VAL MG1 4.900 . 6.000 3.379 2.176 5.447 . 0 0 "[ . 1 . 2]" 1
1899 1 73 TRP HZ2 1 88 TRP HZ2 4.200 . 5.000 4.363 2.838 5.033 0.033 19 0 "[ . 1 . 2]" 1
1900 1 73 TRP HZ3 1 101 CYS HA 4.900 . 5.900 3.126 1.819 5.148 . 0 0 "[ . 1 . 2]" 1
1901 1 73 TRP HZ3 1 102 VAL MG1 4.200 . 5.100 2.801 1.791 4.993 0.009 1 0 "[ . 1 . 2]" 1
1902 1 74 ARG HA 1 81 PHE H 3.300 . 4.000 3.370 2.345 4.017 0.017 7 0 "[ . 1 . 2]" 1
1903 1 74 ARG HA 1 81 PHE HB2 4.900 . 5.900 3.406 2.438 4.444 . 0 0 "[ . 1 . 2]" 1
1904 1 75 TRP HD1 1 81 PHE H 3.800 . 4.600 4.083 3.436 4.463 . 0 0 "[ . 1 . 2]" 1
1905 1 75 TRP HD1 1 81 PHE HA 3.000 . 3.600 3.176 2.685 3.522 . 0 0 "[ . 1 . 2]" 1
1906 1 75 TRP HD1 1 81 PHE HB2 4.300 . 5.200 4.767 3.715 5.276 0.076 11 0 "[ . 1 . 2]" 1
1907 1 75 TRP HD1 1 82 ASN H 4.100 . 4.900 4.593 4.196 4.934 0.034 3 0 "[ . 1 . 2]" 1
1908 1 75 TRP HE1 1 81 PHE HA 3.700 . 4.400 2.504 1.780 2.942 0.020 18 0 "[ . 1 . 2]" 1
1909 1 75 TRP HE1 1 81 PHE QE 5.200 . 6.300 5.251 4.383 5.971 . 0 0 "[ . 1 . 2]" 1
1910 1 75 TRP HE1 1 82 ASN H 3.800 . 4.600 2.697 2.290 3.179 . 0 0 "[ . 1 . 2]" 1
1911 1 75 TRP HE1 1 82 ASN HD21 3.500 . 4.200 3.583 2.235 4.282 0.082 10 0 "[ . 1 . 2]" 1
1912 1 75 TRP H 1 81 PHE HA 3.900 . 4.700 4.547 4.007 4.796 0.096 8 0 "[ . 1 . 2]" 1
1913 1 75 TRP HZ2 1 113 TRP HH2 3.100 . 3.700 2.554 1.783 3.702 0.017 8 0 "[ . 1 . 2]" 1
1914 1 28 GLU QG 1 76 VAL MG2 4.100 . 5.000 3.036 1.978 5.137 0.137 10 0 "[ . 1 . 2]" 1
1915 1 24 TRP HE1 1 76 VAL QG 5.300 . 6.600 4.219 3.524 5.075 . 0 0 "[ . 1 . 2]" 1
1916 1 38 LEU H 1 76 VAL QG 4.000 . 5.000 2.779 1.826 3.981 . 0 0 "[ . 1 . 2]" 1
1917 1 86 VAL HA 1 113 TRP HH2 4.000 . 4.800 3.136 2.444 4.145 . 0 0 "[ . 1 . 2]" 1
1918 1 86 VAL MG1 1 113 TRP HH2 5.300 . 6.300 5.287 3.837 6.343 0.043 3 0 "[ . 1 . 2]" 1
1919 1 86 VAL MG1 1 113 TRP HZ3 5.300 . 6.500 4.347 2.211 5.645 . 0 0 "[ . 1 . 2]" 1
1920 1 86 VAL MG2 1 113 TRP HH2 4.000 . 4.900 3.968 3.414 4.911 0.011 11 0 "[ . 1 . 2]" 1
1921 1 86 VAL MG2 1 113 TRP HZ3 4.300 . 5.300 2.738 1.793 4.209 0.007 19 0 "[ . 1 . 2]" 1
1922 1 87 PHE HB2 1 113 TRP HE1 4.400 . 5.300 3.488 2.657 4.209 . 0 0 "[ . 1 . 2]" 1
1923 1 87 PHE QD 1 113 TRP HE1 4.000 . 4.900 2.935 1.832 3.937 . 0 0 "[ . 1 . 2]" 1
1924 1 87 PHE QD 1 113 TRP HH2 4.300 . 5.100 3.989 3.201 5.075 . 0 0 "[ . 1 . 2]" 1
1925 1 87 PHE QD 1 113 TRP HZ2 2.900 . 3.500 2.608 2.269 3.049 . 0 0 "[ . 1 . 2]" 1
1926 1 88 TRP HA 1 113 TRP H 4.100 . 4.900 3.276 2.807 3.811 . 0 0 "[ . 1 . 2]" 1
1927 1 88 TRP HA 1 113 TRP HA 5.200 . 6.200 4.998 4.173 5.675 . 0 0 "[ . 1 . 2]" 1
1928 1 88 TRP HE3 1 102 VAL MG2 5.200 . 6.300 5.285 3.241 6.311 0.011 12 0 "[ . 1 . 2]" 1
1929 1 88 TRP HE3 1 113 TRP HB2 4.000 . 4.800 3.173 2.440 4.216 . 0 0 "[ . 1 . 2]" 1
1930 1 88 TRP HH2 1 102 VAL MG1 3.600 . 4.400 2.951 1.997 4.235 . 0 0 "[ . 1 . 2]" 1
1931 1 88 TRP HH2 1 102 VAL MG2 5.700 . 6.900 4.423 1.860 6.078 . 0 0 "[ . 1 . 2]" 1
1932 1 88 TRP HZ2 1 102 VAL MG1 4.100 . 5.000 4.412 3.506 5.069 0.069 14 0 "[ . 1 . 2]" 1
1933 1 88 TRP HZ3 1 102 VAL MG1 4.200 . 5.100 2.766 1.785 4.960 0.015 20 0 "[ . 1 . 2]" 1
1934 1 88 TRP HZ3 1 102 VAL MG2 4.800 . 5.900 4.217 2.229 5.750 . 0 0 "[ . 1 . 2]" 1
1935 1 89 HIS HA 1 112 ALA MB 4.100 . 5.000 2.507 1.696 4.077 0.104 8 0 "[ . 1 . 2]" 1
1936 1 89 HIS HD2 1 105 VAL MG1 3.400 . 4.200 3.134 2.319 3.804 . 0 0 "[ . 1 . 2]" 1
1937 1 89 HIS HD2 1 105 VAL MG2 4.600 . 5.500 5.322 4.664 5.631 0.131 18 0 "[ . 1 . 2]" 1
1938 1 89 HIS HD2 1 112 ALA MB 4.600 . 5.600 2.904 1.722 4.196 0.078 4 0 "[ . 1 . 2]" 1
1939 1 89 HIS HD2 1 113 TRP H 4.700 . 5.600 4.458 3.548 5.597 . 0 0 "[ . 1 . 2]" 1
1940 1 89 HIS HE1 1 107 ASN HB2 3.800 . 4.600 3.694 1.778 4.641 0.041 4 0 "[ . 1 . 2]" 1
1941 1 89 HIS HE1 1 107 ASN HB3 3.300 . 4.000 2.453 1.758 3.958 0.042 20 0 "[ . 1 . 2]" 1
1942 1 89 HIS HE1 1 110 LYS HA 5.600 . 6.800 6.510 5.688 6.983 0.183 1 0 "[ . 1 . 2]" 1
1943 1 89 HIS HE1 1 110 LYS QD 4.700 . 5.400 4.815 3.184 5.456 0.056 5 0 "[ . 1 . 2]" 1
1944 1 89 HIS HE1 1 110 LYS HG2 4.200 . 4.800 4.156 3.038 4.850 0.050 13 0 "[ . 1 . 2]" 1
1945 1 89 HIS HE1 1 110 LYS HG3 3.600 . 4.300 3.921 3.433 4.342 0.042 9 0 "[ . 1 . 2]" 1
1946 1 89 HIS HE1 1 112 ALA MB 4.100 . 5.000 3.455 2.434 5.042 0.042 1 0 "[ . 1 . 2]" 1
1947 1 89 HIS H 1 112 ALA MB 4.500 . 5.500 3.738 3.184 4.721 . 0 0 "[ . 1 . 2]" 1
1948 1 89 HIS H 1 113 TRP H 4.900 . 5.800 4.529 3.772 5.546 . 0 0 "[ . 1 . 2]" 1
1949 1 92 GLU HB3 1 115 ASP H 4.600 . 5.500 4.460 2.845 5.650 0.150 18 0 "[ . 1 . 2]" 1
1950 1 96 SER HA 1 117 PRO HD3 4.700 . 5.700 4.284 1.905 5.761 0.061 9 0 "[ . 1 . 2]" 1
1951 1 96 SER HB2 1 117 PRO HG2 5.600 . 6.700 5.938 4.142 6.785 0.085 19 0 "[ . 1 . 2]" 1
1952 1 100 ASN HA 1 116 VAL H 4.800 . 5.800 4.195 3.315 5.175 . 0 0 "[ . 1 . 2]" 1
1953 1 100 ASN HA 1 117 PRO HA 3.500 . 4.200 3.245 2.449 4.284 0.084 13 0 "[ . 1 . 2]" 1
1954 1 100 ASN HB2 1 117 PRO HA 5.000 . 6.000 5.397 3.837 6.075 0.075 17 0 "[ . 1 . 2]" 1
1955 1 101 CYS H 1 116 VAL H 4.000 . 4.800 3.203 2.750 4.949 0.149 13 0 "[ . 1 . 2]" 1
1956 1 102 VAL HA 1 115 ASP HA 4.400 . 5.300 2.539 1.770 3.158 0.030 12 0 "[ . 1 . 2]" 1
1957 1 102 VAL HA 1 116 VAL H 3.900 . 4.700 3.235 2.861 3.685 . 0 0 "[ . 1 . 2]" 1
1958 1 102 VAL HA 1 116 VAL QG 5.200 . 6.300 3.356 2.690 4.265 . 0 0 "[ . 1 . 2]" 1
1959 1 102 VAL MG1 1 113 TRP QB 4.600 . 5.600 2.769 1.818 3.787 . 0 0 "[ . 1 . 2]" 1
1960 1 102 VAL MG1 1 115 ASP HA 4.800 . 5.900 3.206 2.446 5.251 . 0 0 "[ . 1 . 2]" 1
1961 1 102 VAL MG2 1 113 TRP HA 4.600 . 5.600 3.844 2.526 4.906 . 0 0 "[ . 1 . 2]" 1
1962 1 102 VAL MG2 1 113 TRP QB 3.700 . 4.500 2.552 1.732 3.182 0.068 2 0 "[ . 1 . 2]" 1
1963 1 102 VAL MG2 1 113 TRP HD1 4.900 . 6.000 4.339 3.467 5.847 . 0 0 "[ . 1 . 2]" 1
1964 1 102 VAL MG2 1 113 TRP HE3 4.500 . 5.500 3.024 1.906 3.985 . 0 0 "[ . 1 . 2]" 1
1965 1 102 VAL MG2 1 114 ASN H 4.100 . 5.000 4.133 2.303 5.037 0.037 12 0 "[ . 1 . 2]" 1
1966 1 102 VAL MG2 1 114 ASN HA 5.400 . 6.600 5.605 3.672 6.487 . 0 0 "[ . 1 . 2]" 1
1967 1 102 VAL MG2 1 115 ASP HA 5.800 . 7.100 4.640 3.372 5.519 . 0 0 "[ . 1 . 2]" 1
1968 1 103 VAL MG1 1 114 ASN H 3.800 . 4.700 4.412 2.599 4.810 0.110 2 0 "[ . 1 . 2]" 1
1969 1 103 VAL MG1 1 114 ASN HB2 5.700 . 6.600 5.522 3.272 6.123 . 0 0 "[ . 1 . 2]" 1
1970 1 103 VAL MG1 1 114 ASN HB3 4.200 . 5.100 4.326 2.032 5.119 0.019 12 0 "[ . 1 . 2]" 1
1971 1 103 VAL MG1 1 116 VAL QG 3.800 . 4.800 2.094 1.788 2.956 0.012 6 0 "[ . 1 . 2]" 1
1972 1 103 VAL MG1 1 120 PHE HD2 4.700 . 5.700 4.219 3.547 5.788 0.088 19 0 "[ . 1 . 2]" 1
1973 1 103 VAL MG2 1 116 VAL QG 4.000 . 5.000 2.481 2.099 3.502 . 0 0 "[ . 1 . 2]" 1
1974 1 103 VAL MG2 1 122 ALA HA 5.300 . 6.500 6.406 5.422 6.602 0.102 12 0 "[ . 1 . 2]" 1
1975 1 103 VAL MG2 1 122 ALA MB 3.900 . 4.900 3.808 2.862 4.022 . 0 0 "[ . 1 . 2]" 1
1976 1 103 VAL H 1 114 ASN H 3.700 . 4.400 2.404 2.180 2.888 . 0 0 "[ . 1 . 2]" 1
1977 1 103 VAL H 1 115 ASP HA 4.100 . 4.900 3.990 3.193 4.556 . 0 0 "[ . 1 . 2]" 1
1978 1 103 VAL H 1 116 VAL H 4.800 . 5.800 4.450 3.939 4.877 . 0 0 "[ . 1 . 2]" 1
1979 1 104 LEU HA 1 113 TRP H 4.800 . 5.800 4.788 4.522 4.947 . 0 0 "[ . 1 . 2]" 1
1980 1 104 LEU HA 1 113 TRP HA 4.300 . 5.200 3.024 2.808 3.221 . 0 0 "[ . 1 . 2]" 1
1981 1 104 LEU HA 1 113 TRP HD1 4.000 . 4.800 3.307 2.550 4.136 . 0 0 "[ . 1 . 2]" 1
1982 1 104 LEU HA 1 114 ASN H 4.000 . 4.800 4.082 3.824 4.500 . 0 0 "[ . 1 . 2]" 1
1983 1 104 LEU HB2 1 111 TRP HE3 4.200 . 5.000 4.137 3.383 4.795 . 0 0 "[ . 1 . 2]" 1
1984 1 104 LEU HB2 1 125 ILE MD 4.300 . 5.300 3.617 3.102 4.884 . 0 0 "[ . 1 . 2]" 1
1985 1 104 LEU HB3 1 125 ILE MD 4.100 . 4.800 4.011 3.209 4.685 . 0 0 "[ . 1 . 2]" 1
1986 1 104 LEU QD 1 111 TRP HA 4.800 . 5.900 4.018 3.670 4.610 . 0 0 "[ . 1 . 2]" 1
1987 1 104 LEU QD 1 111 TRP HB2 4.400 . 5.400 3.676 2.824 4.286 . 0 0 "[ . 1 . 2]" 1
1988 1 104 LEU QD 1 111 TRP HB3 4.900 . 6.000 2.529 1.973 3.076 . 0 0 "[ . 1 . 2]" 1
1989 1 104 LEU QD 1 111 TRP HE3 3.700 . 4.500 2.956 2.422 3.402 . 0 0 "[ . 1 . 2]" 1
1990 1 104 LEU QD 1 112 ALA H 4.900 . 5.900 3.327 3.025 3.702 . 0 0 "[ . 1 . 2]" 1
1991 1 104 LEU QD 1 112 ALA HA 5.200 . 6.300 3.046 2.543 3.595 . 0 0 "[ . 1 . 2]" 1
1992 1 104 LEU QD 1 113 TRP H 5.600 . 6.700 3.784 3.413 4.348 . 0 0 "[ . 1 . 2]" 1
1993 1 104 LEU QD 1 113 TRP HA 5.100 . 6.200 3.230 2.866 3.770 . 0 0 "[ . 1 . 2]" 1
1994 1 104 LEU QD 1 113 TRP HD1 4.300 . 4.700 2.161 1.829 2.630 . 0 0 "[ . 1 . 2]" 1
1995 1 104 LEU QD 1 113 TRP HE1 4.000 . 4.900 2.618 2.313 3.211 . 0 0 "[ . 1 . 2]" 1
1996 1 104 LEU HG 1 111 TRP HE3 4.800 . 5.600 3.962 1.773 5.307 0.027 17 0 "[ . 1 . 2]" 1
1997 1 105 VAL HA 1 111 TRP HZ3 3.400 . 4.100 2.870 2.402 3.275 . 0 0 "[ . 1 . 2]" 1
1998 1 105 VAL MG1 1 111 TRP HE3 4.300 . 5.200 4.758 4.502 4.874 . 0 0 "[ . 1 . 2]" 1
1999 1 105 VAL MG1 1 113 TRP HA 4.900 . 6.000 3.893 3.492 4.285 . 0 0 "[ . 1 . 2]" 1
2000 1 105 VAL MG1 1 114 ASN H 4.100 . 5.000 3.193 2.510 3.601 . 0 0 "[ . 1 . 2]" 1
2001 1 105 VAL MG1 1 114 ASN HA 5.500 . 6.700 4.017 3.746 4.372 . 0 0 "[ . 1 . 2]" 1
2002 1 105 VAL MG1 1 114 ASN HB2 3.700 . 4.500 2.070 1.759 3.792 0.041 5 0 "[ . 1 . 2]" 1
2003 1 105 VAL MG1 1 114 ASN HB3 3.500 . 4.300 2.535 2.124 3.213 . 0 0 "[ . 1 . 2]" 1
2004 1 105 VAL MG1 1 114 ASN HD21 4.500 . 5.500 4.160 3.862 4.546 . 0 0 "[ . 1 . 2]" 1
2005 1 105 VAL MG1 1 114 ASN HD22 3.900 . 4.800 4.539 3.851 4.856 0.056 20 0 "[ . 1 . 2]" 1
2006 1 105 VAL MG1 1 116 VAL QG 4.600 . 5.600 4.392 3.868 5.179 . 0 0 "[ . 1 . 2]" 1
2007 1 105 VAL MG2 1 111 TRP HE3 4.400 . 5.200 5.057 4.903 5.234 0.034 11 0 "[ . 1 . 2]" 1
2008 1 105 VAL MG2 1 114 ASN HB2 4.400 . 5.400 4.248 3.933 5.497 0.097 4 0 "[ . 1 . 2]" 1
2009 1 105 VAL MG2 1 114 ASN HB3 4.400 . 5.400 4.384 3.991 5.094 . 0 0 "[ . 1 . 2]" 1
2010 1 60 TYR H 1 105 VAL QG 4.800 . 6.000 4.507 4.134 4.827 . 0 0 "[ . 1 . 2]" 1
2011 1 105 VAL H 1 111 TRP HE3 3.600 . 4.300 3.401 3.117 3.617 . 0 0 "[ . 1 . 2]" 1
2012 1 105 VAL H 1 112 ALA H 3.600 . 4.300 2.850 2.671 3.109 . 0 0 "[ . 1 . 2]" 1
2013 1 105 VAL H 1 113 TRP HA 4.300 . 5.200 3.780 3.558 4.112 . 0 0 "[ . 1 . 2]" 1
2014 1 105 VAL H 1 113 TRP HD1 4.700 . 5.600 4.753 4.082 5.284 . 0 0 "[ . 1 . 2]" 1
2015 1 106 TYR HA 1 112 ALA H 4.200 . 5.000 3.967 3.658 4.239 . 0 0 "[ . 1 . 2]" 1
2016 1 56 ARG QB 1 106 TYR QD 3.900 . 4.800 3.153 2.791 3.569 . 0 0 "[ . 1 . 2]" 1
2017 1 56 ARG QB 1 106 TYR QE 4.500 . 5.500 3.428 2.692 4.159 . 0 0 "[ . 1 . 2]" 1
2018 1 105 VAL QG 1 111 TRP HA 6.100 . 7.500 4.244 3.939 4.524 . 0 0 "[ . 1 . 2]" 1
2019 1 105 VAL QG 1 111 TRP HE3 5.400 . 6.700 4.356 4.181 4.474 . 0 0 "[ . 1 . 2]" 1
2020 1 54 LEU QB 1 111 TRP HH2 3.500 . 4.200 2.633 2.229 3.017 . 0 0 "[ . 1 . 2]" 1
2021 1 54 LEU QB 1 111 TRP HZ2 3.400 . 4.100 2.840 2.403 3.104 . 0 0 "[ . 1 . 2]" 1
2022 1 56 ARG QB 1 111 TRP HZ2 3.600 . 4.300 3.627 3.102 4.045 . 0 0 "[ . 1 . 2]" 1
2023 1 105 VAL QG 1 111 TRP HZ3 5.000 . 6.200 4.358 4.030 4.604 . 0 0 "[ . 1 . 2]" 1
2024 1 89 HIS QB 1 114 ASN HA 4.400 . 5.300 3.797 2.598 5.352 0.052 13 0 "[ . 1 . 2]" 1
2025 1 101 CYS QB 1 116 VAL QG 5.400 . 6.500 3.573 2.834 4.419 . 0 0 "[ . 1 . 2]" 1
2026 1 14 CYS H 1 127 LYS QE 3.600 . 4.200 4.257 3.999 4.345 0.145 4 0 "[ . 1 . 2]" 1
2027 1 2 VAL QG 1 131 THR HA 5.500 . 6.800 6.289 5.249 6.896 0.096 3 0 "[ . 1 . 2]" 1
2028 1 132 THR HA 1 139 TYR QB 4.600 . 5.400 4.729 3.697 5.475 0.075 11 0 "[ . 1 . 2]" 1
2029 1 2 VAL QG 1 132 THR HA 4.400 . 5.500 3.928 2.107 5.291 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 61
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 35.568
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0456
_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 7 TRP 0.007 0.007 11 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.132 0.054 7 0 "[ . 1 . 2]"
1 24 TRP 0.012 0.012 19 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 0.073 0.049 4 0 "[ . 1 . 2]"
1 34 MET 0.073 0.049 4 0 "[ . 1 . 2]"
1 35 GLY 0.003 0.003 13 0 "[ . 1 . 2]"
1 36 ALA 0.070 0.049 4 0 "[ . 1 . 2]"
1 37 HIS 0.086 0.086 16 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.834 0.123 17 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.834 0.123 17 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.834 0.123 17 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.050 0.031 20 0 "[ . 1 . 2]"
1 55 ASP 0.050 0.031 20 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.050 0.031 20 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TRP 0.086 0.086 16 0 "[ . 1 . 2]"
1 76 VAL 0.098 0.086 16 0 "[ . 1 . 2]"
1 81 PHE 0.035 0.029 3 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.035 0.029 3 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PRO 0.055 0.023 20 0 "[ . 1 . 2]"
1 119 ASN 0.132 0.054 7 0 "[ . 1 . 2]"
1 120 PHE 0.055 0.023 20 0 "[ . 1 . 2]"
1 121 GLU 0.132 0.054 7 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 CYS 0.007 0.007 11 0 "[ . 1 . 2]"
1 127 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 PRO 0.354 0.071 14 0 "[ . 1 . 2]"
1 130 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 THR 0.354 0.071 14 0 "[ . 1 . 2]"
1 133 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ALA 0.140 0.118 17 0 "[ . 1 . 2]"
1 138 LEU 0.140 0.118 17 0 "[ . 1 . 2]"
1 139 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 129 PRO HB3 1 132 THR H 5.800 . 6.800 6.698 6.112 6.871 0.071 14 0 "[ . 1 . 2]" 2
2 1 18 LEU QD 1 125 ILE H 3.700 . 4.300 3.239 2.307 3.884 . 0 0 "[ . 1 . 2]" 2
3 1 84 ARG HA 1 85 ARG H 2.900 . 3.500 2.749 2.585 2.787 . 0 0 "[ . 1 . 2]" 2
4 1 18 LEU HG 1 20 ASP H 4.300 . 5.200 4.458 3.203 5.057 . 0 0 "[ . 1 . 2]" 2
5 1 13 ASN HB3 1 130 GLY H 4.400 . 5.300 4.473 4.049 4.856 . 0 0 "[ . 1 . 2]" 2
6 1 16 PHE H 1 17 PRO HG3 4.400 . 5.400 4.360 3.995 4.746 . 0 0 "[ . 1 . 2]" 2
7 1 132 THR HA 1 133 LEU H 2.500 . 3.000 2.716 2.652 2.764 . 0 0 "[ . 1 . 2]" 2
8 1 83 PRO HG2 1 84 ARG H 3.000 . 3.600 2.652 2.084 3.437 . 0 0 "[ . 1 . 2]" 2
9 1 64 LEU HB2 1 65 ARG H 3.600 . 4.300 3.009 2.729 3.630 . 0 0 "[ . 1 . 2]" 2
10 1 135 ALA HA 1 139 TYR H 3.100 . 3.800 3.308 2.913 3.447 . 0 0 "[ . 1 . 2]" 2
11 1 54 LEU HB2 1 55 ASP H 3.000 . 3.600 3.474 3.184 3.631 0.031 20 0 "[ . 1 . 2]" 2
12 1 50 ILE MD 1 52 GLN H 4.600 . 5.600 3.951 3.872 4.091 . 0 0 "[ . 1 . 2]" 2
13 1 102 VAL MG2 1 113 TRP HE1 5.700 . 6.700 4.600 4.068 5.468 . 0 0 "[ . 1 . 2]" 2
14 1 41 ILE MD 1 50 ILE H 4.600 . 5.600 5.584 5.198 5.723 0.123 17 0 "[ . 1 . 2]" 2
15 1 51 ILE MG 1 111 TRP H 4.500 . 5.500 4.030 3.568 4.289 . 0 0 "[ . 1 . 2]" 2
16 1 82 ASN HD21 1 85 ARG HB2 4.300 . 5.300 3.886 2.013 4.487 . 0 0 "[ . 1 . 2]" 2
17 1 132 THR HA 1 135 ALA H 3.600 . 4.300 3.113 2.051 3.484 . 0 0 "[ . 1 . 2]" 2
18 1 23 THR MG 1 121 GLU H 3.200 . 3.800 2.985 2.636 3.264 . 0 0 "[ . 1 . 2]" 2
19 1 42 SER HA 1 43 THR H 4.100 . 4.900 3.231 3.068 3.291 . 0 0 "[ . 1 . 2]" 2
20 1 91 ASN HA 1 92 GLU H 2.800 . 3.400 2.441 2.026 2.752 . 0 0 "[ . 1 . 2]" 2
21 1 32 SER HB3 1 34 MET H 3.800 . 4.600 4.416 4.227 4.603 0.003 13 0 "[ . 1 . 2]" 2
22 1 56 ARG HA 1 57 ARG H 2.800 . 3.400 2.588 2.379 2.723 . 0 0 "[ . 1 . 2]" 2
23 1 30 ASN HA 1 31 CYS H 2.800 . 3.400 2.768 2.755 2.815 . 0 0 "[ . 1 . 2]" 2
24 1 23 THR H 1 27 SER H 4.300 . 5.200 3.895 3.711 4.080 . 0 0 "[ . 1 . 2]" 2
25 1 27 SER H 1 29 ARG H 4.400 . 5.300 3.734 3.576 3.864 . 0 0 "[ . 1 . 2]" 2
26 1 41 ILE HG13 1 62 LEU QD 4.500 . 5.500 2.553 2.338 3.033 . 0 0 "[ . 1 . 2]" 2
27 1 17 PRO HG3 1 60 TYR QE 4.700 . 5.700 5.080 4.815 5.657 . 0 0 "[ . 1 . 2]" 2
28 1 51 ILE MG 1 111 TRP HA 4.700 . 5.800 3.743 3.699 3.805 . 0 0 "[ . 1 . 2]" 2
29 1 25 ALA HA 1 28 GLU QG 4.500 . 5.400 4.114 2.046 4.546 . 0 0 "[ . 1 . 2]" 2
30 1 15 TYR QD 1 125 ILE MD 5.200 . 6.300 3.988 3.369 4.369 . 0 0 "[ . 1 . 2]" 2
31 1 59 SER HA 1 122 ALA MB 4.700 . 5.600 4.367 4.178 4.476 . 0 0 "[ . 1 . 2]" 2
32 1 51 ILE MG 1 111 TRP HD1 3.400 . 4.200 3.156 3.024 3.243 . 0 0 "[ . 1 . 2]" 2
33 1 64 LEU HB2 1 101 CYS HA 5.300 . 6.400 4.705 3.642 5.733 . 0 0 "[ . 1 . 2]" 2
34 1 50 ILE MD 1 51 ILE HA 5.300 . 6.500 3.729 3.236 4.002 . 0 0 "[ . 1 . 2]" 2
35 1 81 PHE HZ 1 86 VAL MG1 4.000 . 4.900 3.128 1.947 4.391 . 0 0 "[ . 1 . 2]" 2
36 1 60 TYR HB2 1 103 VAL MG2 4.800 . 5.800 5.028 3.624 5.439 . 0 0 "[ . 1 . 2]" 2
37 1 7 TRP HH2 1 126 CYS HB2 4.400 . 5.300 3.591 2.154 4.315 . 0 0 "[ . 1 . 2]" 2
38 1 32 SER HA 1 34 MET ME 4.600 . 5.500 5.012 4.653 5.549 0.049 4 0 "[ . 1 . 2]" 2
39 1 106 TYR QD 1 107 ASN HA 3.600 . 4.400 4.010 3.154 4.326 . 0 0 "[ . 1 . 2]" 2
40 1 37 HIS HB3 1 76 VAL MG1 3.800 . 4.700 3.093 1.714 4.519 0.086 16 0 "[ . 1 . 2]" 2
41 1 50 ILE HA 1 51 ILE H 4.800 . 5.800 3.070 2.983 3.154 . 0 0 "[ . 1 . 2]" 2
42 1 9 ALA MB 1 10 PHE HA 4.500 . 5.400 3.585 3.478 3.796 . 0 0 "[ . 1 . 2]" 2
43 1 81 PHE HZ 1 86 VAL MG2 3.900 . 4.800 2.152 1.771 2.609 0.029 3 0 "[ . 1 . 2]" 2
44 1 18 LEU QD 1 60 TYR QE 4.600 . 5.600 3.584 3.162 3.728 . 0 0 "[ . 1 . 2]" 2
45 1 97 GLN HA 1 98 GLY HA3 4.500 . 5.400 4.119 3.879 4.588 . 0 0 "[ . 1 . 2]" 2
46 1 117 PRO HB2 1 120 PHE HB2 4.200 . 5.000 2.259 1.777 3.130 0.023 20 0 "[ . 1 . 2]" 2
47 1 7 TRP HE3 1 16 PHE HB3 4.500 . 5.400 4.133 3.635 4.784 . 0 0 "[ . 1 . 2]" 2
48 1 24 TRP HH2 1 76 VAL MG1 3.300 . 4.100 3.142 1.831 4.112 0.012 19 0 "[ . 1 . 2]" 2
49 1 23 THR HB 1 121 GLU HG2 5.400 . 6.600 5.773 4.062 6.654 0.054 7 0 "[ . 1 . 2]" 2
50 1 54 LEU QD 1 60 TYR QE 4.100 . 4.900 2.714 2.499 2.838 . 0 0 "[ . 1 . 2]" 2
51 1 7 TRP HE3 1 127 LYS HA 5.000 . 6.000 3.821 3.267 4.564 . 0 0 "[ . 1 . 2]" 2
52 1 35 GLY HA2 1 36 ALA HA 4.400 . 5.300 3.483 2.591 4.281 . 0 0 "[ . 1 . 2]" 2
53 1 135 ALA HA 1 138 LEU QD 2.900 . 3.600 2.213 1.682 2.894 0.118 17 0 "[ . 1 . 2]" 2
54 1 7 TRP HH2 1 126 CYS HA 4.900 . 5.900 4.607 4.016 5.907 0.007 11 0 "[ . 1 . 2]" 2
55 1 32 SER HA 1 35 GLY HA2 4.700 . 5.600 3.740 3.307 4.298 . 0 0 "[ . 1 . 2]" 2
56 1 85 ARG HB2 1 87 PHE HZ 5.600 . 6.800 5.139 4.142 6.596 . 0 0 "[ . 1 . 2]" 2
57 1 97 GLN HA 1 98 GLY HA2 4.500 . 5.400 3.945 3.870 4.048 . 0 0 "[ . 1 . 2]" 2
58 1 32 SER HA 1 37 HIS HA 4.400 . 5.300 3.590 3.059 3.971 . 0 0 "[ . 1 . 2]" 2
59 1 133 LEU QD 1 134 ASN QB 4.600 . 5.600 4.394 2.492 5.013 . 0 0 "[ . 1 . 2]" 2
60 1 59 SER HA 1 60 TYR QE 4.000 . 4.800 3.314 2.647 3.914 . 0 0 "[ . 1 . 2]" 2
61 1 24 TRP HH2 1 76 VAL HB 4.000 . 4.700 2.907 1.970 4.501 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS SG 1 14 CYS SG 2.020 . 2.120 2.019 2.016 2.023 . 0 0 "[ . 1 . 2]" 3
2 1 3 CYS CB 1 14 CYS SG 3.000 2.900 3.100 3.007 3.003 3.011 . 0 0 "[ . 1 . 2]" 3
3 1 3 CYS SG 1 14 CYS CB 3.000 2.900 3.100 3.008 2.999 3.015 . 0 0 "[ . 1 . 2]" 3
4 1 31 CYS SG 1 126 CYS SG 2.020 . 2.120 2.019 2.014 2.023 . 0 0 "[ . 1 . 2]" 3
5 1 31 CYS CB 1 126 CYS SG 3.000 2.900 3.100 3.010 3.005 3.013 . 0 0 "[ . 1 . 2]" 3
6 1 31 CYS SG 1 126 CYS CB 3.000 2.900 3.100 3.010 3.005 3.021 . 0 0 "[ . 1 . 2]" 3
7 1 101 CYS SG 1 118 CYS SG 2.020 . 2.120 2.018 2.015 2.023 . 0 0 "[ . 1 . 2]" 3
8 1 101 CYS CB 1 118 CYS SG 3.000 2.900 3.100 3.010 3.001 3.016 . 0 0 "[ . 1 . 2]" 3
9 1 101 CYS SG 1 118 CYS CB 3.000 2.900 3.100 3.010 3.006 3.013 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 203
_Distance_constraint_stats_list.Viol_total 192.942
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0475
_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 8 ARG 0.017 0.017 19 0 "[ . 1 . 2]"
1 10 PHE 0.300 0.078 18 0 "[ . 1 . 2]"
1 13 ASN 0.300 0.078 18 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 0.017 0.017 19 0 "[ . 1 . 2]"
1 16 PHE 0.012 0.012 4 0 "[ . 1 . 2]"
1 18 LEU 0.062 0.046 4 0 "[ . 1 . 2]"
1 22 LYS 0.301 0.077 17 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.245 0.040 17 0 "[ . 1 . 2]"
1 26 GLU 0.033 0.025 3 0 "[ . 1 . 2]"
1 27 SER 0.099 0.062 13 0 "[ . 1 . 2]"
1 29 ARG 0.245 0.040 17 0 "[ . 1 . 2]"
1 30 ASN 0.033 0.025 3 0 "[ . 1 . 2]"
1 31 CYS 0.099 0.062 13 0 "[ . 1 . 2]"
1 37 HIS 0.037 0.037 18 0 "[ . 1 . 2]"
1 39 MET 0.124 0.038 8 0 "[ . 1 . 2]"
1 43 THR 1.903 0.136 3 0 "[ . 1 . 2]"
1 44 GLU 0.046 0.046 5 0 "[ . 1 . 2]"
1 45 ALA 0.006 0.006 6 0 "[ . 1 . 2]"
1 46 GLU 0.198 0.061 15 0 "[ . 1 . 2]"
1 47 GLN 2.619 0.136 3 0 "[ . 1 . 2]"
1 48 ASN 0.046 0.046 5 0 "[ . 1 . 2]"
1 49 PHE 0.006 0.006 6 0 "[ . 1 . 2]"
1 50 ILE 1.840 0.146 19 0 "[ . 1 . 2]"
1 51 ILE 0.717 0.133 12 0 "[ . 1 . 2]"
1 54 LEU 1.642 0.146 19 0 "[ . 1 . 2]"
1 59 SER 0.328 0.083 15 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.083 0.038 8 0 "[ . 1 . 2]"
1 65 ARG 0.242 0.093 9 0 "[ . 1 . 2]"
1 74 ARG 0.242 0.093 9 0 "[ . 1 . 2]"
1 75 TRP 0.850 0.152 5 0 "[ . 1 . 2]"
1 79 THR 0.850 0.152 5 0 "[ . 1 . 2]"
1 101 CYS 0.292 0.092 19 0 "[ . 1 . 2]"
1 103 VAL 0.257 0.075 13 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 VAL 1.417 0.128 1 0 "[ . 1 . 2]"
1 112 ALA 1.417 0.128 1 0 "[ . 1 . 2]"
1 114 ASN 0.257 0.075 13 0 "[ . 1 . 2]"
1 116 VAL 0.292 0.092 19 0 "[ . 1 . 2]"
1 122 ALA 0.301 0.077 17 0 "[ . 1 . 2]"
1 123 SER 0.328 0.083 15 0 "[ . 1 . 2]"
1 124 ARG 0.062 0.046 4 0 "[ . 1 . 2]"
1 125 ILE 0.041 0.019 19 0 "[ . 1 . 2]"
1 126 CYS 0.012 0.012 4 0 "[ . 1 . 2]"
1 127 LYS 0.037 0.037 18 0 "[ . 1 . 2]"
1 128 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.522 0.099 10 0 "[ . 1 . 2]"
1 141 GLN 0.522 0.099 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 THR O 1 27 SER N 3.200 2.200 3.200 2.788 2.611 2.999 . 0 0 "[ . 1 . 2]" 4
2 1 23 THR O 1 27 SER H 2.200 . 2.200 1.855 1.683 2.059 . 0 0 "[ . 1 . 2]" 4
3 1 25 ALA O 1 29 ARG N 3.200 2.200 3.200 2.962 2.779 3.147 . 0 0 "[ . 1 . 2]" 4
4 1 25 ALA O 1 29 ARG H 2.200 . 2.200 2.159 1.893 2.240 0.040 17 0 "[ . 1 . 2]" 4
5 1 26 GLU O 1 30 ASN N 3.200 2.200 3.200 2.836 2.651 3.122 . 0 0 "[ . 1 . 2]" 4
6 1 26 GLU O 1 30 ASN H 2.200 . 2.200 1.931 1.711 2.225 0.025 3 0 "[ . 1 . 2]" 4
7 1 27 SER O 1 31 CYS N 3.200 2.200 3.200 2.941 2.664 3.209 0.009 13 0 "[ . 1 . 2]" 4
8 1 27 SER O 1 31 CYS H 2.200 . 2.200 2.046 1.727 2.262 0.062 13 0 "[ . 1 . 2]" 4
9 1 43 THR O 1 47 GLN N 3.200 2.200 3.200 3.211 3.023 3.301 0.101 3 0 "[ . 1 . 2]" 4
10 1 43 THR O 1 47 GLN H 2.200 . 2.200 2.257 2.051 2.336 0.136 3 0 "[ . 1 . 2]" 4
11 1 44 GLU O 1 48 ASN N 3.200 2.200 3.200 2.930 2.710 3.181 . 0 0 "[ . 1 . 2]" 4
12 1 44 GLU O 1 48 ASN H 2.200 . 2.200 1.975 1.744 2.246 0.046 5 0 "[ . 1 . 2]" 4
13 1 45 ALA O 1 49 PHE N 3.200 2.200 3.200 2.863 2.711 3.035 . 0 0 "[ . 1 . 2]" 4
14 1 45 ALA O 1 49 PHE H 2.200 . 2.200 2.006 1.769 2.206 0.006 6 0 "[ . 1 . 2]" 4
15 1 46 GLU O 1 50 ILE N 3.200 2.200 3.200 2.999 2.814 3.197 . 0 0 "[ . 1 . 2]" 4
16 1 46 GLU O 1 50 ILE H 2.200 . 2.200 2.098 1.852 2.261 0.061 15 0 "[ . 1 . 2]" 4
17 1 47 GLN O 1 51 ILE N 3.200 2.200 3.200 3.090 2.890 3.261 0.061 16 0 "[ . 1 . 2]" 4
18 1 47 GLN O 1 51 ILE H 2.200 . 2.200 2.167 1.946 2.333 0.133 12 0 "[ . 1 . 2]" 4
19 1 50 ILE O 1 54 LEU N 3.200 2.200 3.200 3.096 3.017 3.199 . 0 0 "[ . 1 . 2]" 4
20 1 50 ILE O 1 54 LEU H 2.200 . 2.200 2.282 2.227 2.346 0.146 19 0 "[ . 1 . 2]" 4
21 1 137 ASN O 1 141 GLN N 3.200 2.200 3.200 2.956 2.707 3.126 . 0 0 "[ . 1 . 2]" 4
22 1 137 ASN O 1 141 GLN H 2.200 . 2.200 2.159 1.808 2.299 0.099 10 0 "[ . 1 . 2]" 4
23 1 8 ARG N 1 15 TYR O 3.200 2.200 3.200 2.761 2.638 3.026 . 0 0 "[ . 1 . 2]" 4
24 1 8 ARG H 1 15 TYR O 2.200 . 2.200 1.849 1.701 2.217 0.017 19 0 "[ . 1 . 2]" 4
25 1 10 PHE N 1 13 ASN O 3.200 2.200 3.200 2.766 2.611 2.909 . 0 0 "[ . 1 . 2]" 4
26 1 10 PHE H 1 13 ASN O 2.200 . 2.200 1.817 1.625 1.990 . 0 0 "[ . 1 . 2]" 4
27 1 10 PHE O 1 13 ASN N 3.200 2.200 3.200 2.982 2.801 3.135 . 0 0 "[ . 1 . 2]" 4
28 1 10 PHE O 1 13 ASN H 2.200 . 2.200 2.100 1.854 2.278 0.078 18 0 "[ . 1 . 2]" 4
29 1 8 ARG O 1 15 TYR N 3.200 2.200 3.200 2.743 2.692 2.882 . 0 0 "[ . 1 . 2]" 4
30 1 8 ARG O 1 15 TYR H 2.200 . 2.200 1.818 1.736 1.975 . 0 0 "[ . 1 . 2]" 4
31 1 14 CYS N 1 128 ILE O 3.200 2.200 3.200 2.745 2.631 2.949 . 0 0 "[ . 1 . 2]" 4
32 1 14 CYS H 1 128 ILE O 2.200 . 2.200 1.850 1.672 1.998 . 0 0 "[ . 1 . 2]" 4
33 1 14 CYS O 1 128 ILE N 3.200 2.200 3.200 2.784 2.675 3.094 . 0 0 "[ . 1 . 2]" 4
34 1 14 CYS O 1 128 ILE H 2.200 . 2.200 1.822 1.711 2.115 . 0 0 "[ . 1 . 2]" 4
35 1 16 PHE N 1 126 CYS O 3.200 2.200 3.200 2.848 2.691 3.073 . 0 0 "[ . 1 . 2]" 4
36 1 16 PHE H 1 126 CYS O 2.200 . 2.200 1.887 1.706 2.198 . 0 0 "[ . 1 . 2]" 4
37 1 16 PHE O 1 126 CYS N 3.200 2.200 3.200 2.922 2.693 3.190 . 0 0 "[ . 1 . 2]" 4
38 1 16 PHE O 1 126 CYS H 2.200 . 2.200 1.957 1.735 2.212 0.012 4 0 "[ . 1 . 2]" 4
39 1 18 LEU N 1 124 ARG O 3.200 2.200 3.200 2.772 2.626 3.216 0.016 4 0 "[ . 1 . 2]" 4
40 1 18 LEU H 1 124 ARG O 2.200 . 2.200 1.810 1.649 2.246 0.046 4 0 "[ . 1 . 2]" 4
41 1 22 LYS N 1 122 ALA O 3.200 2.200 3.200 2.924 2.707 3.206 0.006 20 0 "[ . 1 . 2]" 4
42 1 22 LYS H 1 122 ALA O 2.200 . 2.200 1.996 1.786 2.277 0.077 17 0 "[ . 1 . 2]" 4
43 1 22 LYS O 1 122 ALA N 3.200 2.200 3.200 2.941 2.726 3.217 0.017 15 0 "[ . 1 . 2]" 4
44 1 22 LYS O 1 122 ALA H 2.200 . 2.200 1.970 1.751 2.236 0.036 15 0 "[ . 1 . 2]" 4
45 1 37 HIS N 1 127 LYS O 3.200 2.200 3.200 2.865 2.643 3.184 . 0 0 "[ . 1 . 2]" 4
46 1 37 HIS H 1 127 LYS O 2.200 . 2.200 1.928 1.693 2.237 0.037 18 0 "[ . 1 . 2]" 4
47 1 37 HIS O 1 127 LYS N 3.200 2.200 3.200 2.638 2.568 2.762 . 0 0 "[ . 1 . 2]" 4
48 1 37 HIS O 1 127 LYS H 2.200 . 2.200 1.665 1.594 1.779 . 0 0 "[ . 1 . 2]" 4
49 1 39 MET N 1 125 ILE O 3.200 2.200 3.200 2.884 2.726 3.063 . 0 0 "[ . 1 . 2]" 4
50 1 39 MET H 1 125 ILE O 2.200 . 2.200 2.030 1.790 2.219 0.019 19 0 "[ . 1 . 2]" 4
51 1 60 TYR N 1 104 LEU O 3.200 2.200 3.200 2.900 2.792 3.084 . 0 0 "[ . 1 . 2]" 4
52 1 60 TYR H 1 104 LEU O 2.200 . 2.200 1.941 1.808 2.105 . 0 0 "[ . 1 . 2]" 4
53 1 60 TYR O 1 104 LEU N 3.200 2.200 3.200 2.651 2.570 2.747 . 0 0 "[ . 1 . 2]" 4
54 1 60 TYR O 1 104 LEU H 2.200 . 2.200 1.707 1.601 1.829 . 0 0 "[ . 1 . 2]" 4
55 1 39 MET O 1 63 GLY N 3.200 2.200 3.200 2.814 2.623 3.046 . 0 0 "[ . 1 . 2]" 4
56 1 39 MET O 1 63 GLY H 2.200 . 2.200 1.905 1.651 2.238 0.038 8 0 "[ . 1 . 2]" 4
57 1 65 ARG N 1 74 ARG O 3.200 2.200 3.200 2.919 2.642 3.225 0.025 7 0 "[ . 1 . 2]" 4
58 1 65 ARG H 1 74 ARG O 2.200 . 2.200 1.962 1.660 2.293 0.093 9 0 "[ . 1 . 2]" 4
59 1 75 TRP N 1 79 THR O 3.200 2.200 3.200 3.001 2.702 3.231 0.031 5 0 "[ . 1 . 2]" 4
60 1 75 TRP H 1 79 THR O 2.200 . 2.200 2.091 1.761 2.352 0.152 5 0 "[ . 1 . 2]" 4
61 1 103 VAL N 1 114 ASN O 3.200 2.200 3.200 2.916 2.734 3.201 0.001 11 0 "[ . 1 . 2]" 4
62 1 103 VAL H 1 114 ASN O 2.200 . 2.200 1.987 1.795 2.267 0.067 11 0 "[ . 1 . 2]" 4
63 1 103 VAL O 1 114 ASN N 3.200 2.200 3.200 2.873 2.750 3.106 . 0 0 "[ . 1 . 2]" 4
64 1 103 VAL O 1 114 ASN H 2.200 . 2.200 1.986 1.791 2.275 0.075 13 0 "[ . 1 . 2]" 4
65 1 105 VAL N 1 112 ALA O 3.200 2.200 3.200 3.056 2.824 3.202 0.002 2 0 "[ . 1 . 2]" 4
66 1 105 VAL H 1 112 ALA O 2.200 . 2.200 2.078 1.846 2.223 0.023 2 0 "[ . 1 . 2]" 4
67 1 105 VAL O 1 112 ALA N 3.200 2.200 3.200 3.167 2.868 3.249 0.049 1 0 "[ . 1 . 2]" 4
68 1 105 VAL O 1 112 ALA H 2.200 . 2.200 2.235 1.975 2.328 0.128 1 0 "[ . 1 . 2]" 4
69 1 101 CYS O 1 116 VAL N 3.200 2.200 3.200 2.958 2.735 3.168 . 0 0 "[ . 1 . 2]" 4
70 1 101 CYS O 1 116 VAL H 2.200 . 2.200 2.030 1.761 2.292 0.092 19 0 "[ . 1 . 2]" 4
71 1 59 SER O 1 123 SER N 3.200 2.200 3.200 2.883 2.760 3.037 . 0 0 "[ . 1 . 2]" 4
72 1 59 SER O 1 123 SER H 2.200 . 2.200 2.176 2.039 2.283 0.083 15 0 "[ . 1 . 2]" 4
stop_
save_