NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435543 |
2jza   |
15611 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jza
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 625
_Distance_constraint_stats_list.Viol_count 892
_Distance_constraint_stats_list.Viol_total 2019.721
_Distance_constraint_stats_list.Viol_max 2.169
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.1132
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLN 0.561 0.193 5 0 "[ . 1 . 2]"
1 4 TRP 1.336 0.193 5 0 "[ . 1 . 2]"
1 5 THR 0.442 0.114 20 0 "[ . 1 . 2]"
1 6 THR 5.965 1.574 20 5 "[ * . * . * -+]"
1 7 VAL 0.412 0.393 3 0 "[ . 1 . 2]"
1 8 CYS 0.186 0.132 13 0 "[ . 1 . 2]"
1 9 LYS 0.699 0.391 6 0 "[ . 1 . 2]"
1 10 LEU 0.579 0.391 6 0 "[ . 1 . 2]"
1 11 ASP 2.483 0.196 12 0 "[ . 1 . 2]"
1 12 ASP 0.214 0.204 6 0 "[ . 1 . 2]"
1 13 ILE 2.433 0.196 12 0 "[ . 1 . 2]"
1 14 LEU 2.129 0.329 16 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.442 0.079 2 0 "[ . 1 . 2]"
1 17 THR 4.997 0.329 16 0 "[ . 1 . 2]"
1 18 GLY 0.291 0.083 9 0 "[ . 1 . 2]"
1 19 VAL 2.948 0.207 6 0 "[ . 1 . 2]"
1 20 CYS 3.906 0.276 16 0 "[ . 1 . 2]"
1 21 ALA 0.393 0.393 3 0 "[ . 1 . 2]"
1 22 LEU 0.778 0.621 19 1 "[ . 1 . +2]"
1 23 VAL 7.069 2.169 8 5 "[ * * + 1 * . -2]"
1 24 GLU 1.606 0.488 17 0 "[ . 1 . 2]"
1 25 GLN 1.859 0.621 19 1 "[ . 1 . +2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 6.656 1.387 2 3 "[ + - 1 * . 2]"
1 29 ALA 0.497 0.311 2 0 "[ . 1 . 2]"
1 30 VAL 5.395 0.207 6 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 4.373 0.287 13 0 "[ . 1 . 2]"
1 33 PRO 0.789 0.103 20 0 "[ . 1 . 2]"
1 34 ARG 0.347 0.103 20 0 "[ . 1 . 2]"
1 35 ASN 0.246 0.122 13 0 "[ . 1 . 2]"
1 36 ASP 1.410 0.152 1 0 "[ . 1 . 2]"
1 37 GLU 2.094 0.400 12 0 "[ . 1 . 2]"
1 38 GLN 0.036 0.024 18 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 2.221 0.160 10 0 "[ . 1 . 2]"
1 41 ALA 2.299 0.546 19 1 "[ . 1 . +2]"
1 42 ILE 9.997 1.052 6 6 "[ *.+ - * * . *2]"
1 43 SER 0.120 0.037 1 0 "[ . 1 . 2]"
1 44 ASN 2.706 0.194 7 0 "[ . 1 . 2]"
1 45 ILE 3.386 0.570 2 1 "[ + . 1 . 2]"
1 46 ASP 1.058 0.211 13 0 "[ . 1 . 2]"
1 47 PRO 0.323 0.166 12 0 "[ . 1 . 2]"
1 48 PHE 0.071 0.043 17 0 "[ . 1 . 2]"
1 49 ALA 1.902 0.188 5 0 "[ . 1 . 2]"
1 50 GLN 2.153 0.188 5 0 "[ . 1 . 2]"
1 51 ALA 3.772 0.276 16 0 "[ . 1 . 2]"
1 52 SER 0.632 0.570 2 1 "[ + . 1 . 2]"
1 53 VAL 2.887 0.549 12 1 "[ . 1 + . 2]"
1 54 LEU 0.800 0.075 3 0 "[ . 1 . 2]"
1 55 SER 0.798 0.311 2 0 "[ . 1 . 2]"
1 56 ARG 0.664 0.133 19 0 "[ . 1 . 2]"
1 57 GLY 0.941 0.169 20 0 "[ . 1 . 2]"
1 58 ILE 2.272 0.191 20 0 "[ . 1 . 2]"
1 59 VAL 3.681 0.191 20 0 "[ . 1 . 2]"
1 60 ALA 1.708 0.167 3 0 "[ . 1 . 2]"
1 61 GLU 2.840 0.210 17 0 "[ . 1 . 2]"
1 62 HIS 4.205 1.563 19 2 "[ . 1 - . +2]"
1 63 GLN 0.009 0.009 5 0 "[ . 1 . 2]"
1 64 ASP 0.009 0.009 5 0 "[ . 1 . 2]"
1 65 ASP 0.703 0.141 4 0 "[ . 1 . 2]"
1 66 LEU 1.354 0.117 8 0 "[ . 1 . 2]"
1 67 TRP 4.648 0.467 1 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.326 0.280 6 0 "[ . 1 . 2]"
1 70 SER 0.011 0.011 18 0 "[ . 1 . 2]"
1 71 PRO 0.271 0.060 16 0 "[ . 1 . 2]"
1 72 LEU 0.849 0.549 12 1 "[ . 1 + . 2]"
1 73 LYS 0.316 0.158 6 0 "[ . 1 . 2]"
1 74 LYS 0.168 0.158 6 0 "[ . 1 . 2]"
1 75 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 HIS 0.667 0.280 6 0 "[ . 1 . 2]"
1 77 PHE 0.203 0.087 9 0 "[ . 1 . 2]"
1 78 ARG 0.156 0.115 19 0 "[ . 1 . 2]"
1 79 LEU 2.696 0.691 4 2 "[ +. - 1 . 2]"
1 80 TYR 0.131 0.101 4 0 "[ . 1 . 2]"
1 81 ASP 0.686 0.101 4 0 "[ . 1 . 2]"
1 82 GLY 5.955 1.052 6 4 "[ -.+ * . *2]"
1 83 PHE 0.527 0.101 14 0 "[ . 1 . 2]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 3.651 1.563 19 2 "[ . 1 - . +2]"
1 86 GLU 0.387 0.196 1 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLY 0.234 0.219 6 0 "[ . 1 . 2]"
1 89 ALA 0.234 0.219 6 0 "[ . 1 . 2]"
1 90 TYR 0.503 0.170 16 0 "[ . 1 . 2]"
1 91 SER 0.503 0.170 16 0 "[ . 1 . 2]"
1 92 VAL 1.376 0.610 12 1 "[ . 1 + . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 2.565 0.245 12 0 "[ . 1 . 2]"
1 95 TYR 3.503 0.546 19 1 "[ . 1 . +2]"
1 96 ASP 0.389 0.094 20 0 "[ . 1 . 2]"
1 97 THR 3.722 0.235 10 0 "[ . 1 . 2]"
1 98 GLN 2.401 0.136 16 0 "[ . 1 . 2]"
1 99 VAL 1.991 0.136 16 0 "[ . 1 . 2]"
1 100 THR 2.248 0.221 18 0 "[ . 1 . 2]"
1 101 ASN 2.228 0.177 14 0 "[ . 1 . 2]"
1 102 GLY 0.513 0.121 3 0 "[ . 1 . 2]"
1 103 ASN 0.343 0.221 18 0 "[ . 1 . 2]"
1 104 VAL 0.773 0.145 18 0 "[ . 1 . 2]"
1 105 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ILE 8.682 1.574 20 5 "[ * . * . * -+]"
1 107 SER 0.009 0.009 7 0 "[ . 1 . 2]"
1 108 ILE 8.990 2.169 8 5 "[ * * + 1 * . -2]"
1 109 ALA 1.829 0.555 13 1 "[ . 1 + . 2]"
1 110 ASP 2.970 0.555 13 1 "[ . 1 + . 2]"
1 111 SER 1.467 0.180 19 0 "[ . 1 . 2]"
1 112 ASP 1.148 0.214 9 0 "[ . 1 . 2]"
1 113 VAL 2.815 0.252 4 0 "[ . 1 . 2]"
1 114 ALA 1.495 0.252 4 0 "[ . 1 . 2]"
1 115 VAL 1.117 0.319 7 0 "[ . 1 . 2]"
1 116 ASP 1.053 0.319 7 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 SER 0.615 0.167 14 0 "[ . 1 . 2]"
1 119 GLN 0.615 0.167 14 0 "[ . 1 . 2]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 PRO 0.096 0.096 6 0 "[ . 1 . 2]"
1 123 LEU 0.096 0.096 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 4 TRP H . . 3.020 2.750 2.128 3.213 0.193 5 0 "[ . 1 . 2]" 1
2 1 4 TRP H 1 4 TRP HB2 . . 4.070 2.548 2.388 2.744 . 0 0 "[ . 1 . 2]" 1
3 1 4 TRP H 1 4 TRP HB3 . . 4.070 3.693 3.559 3.834 . 0 0 "[ . 1 . 2]" 1
4 1 4 TRP H 1 4 TRP HD1 . . 3.790 2.868 2.112 3.465 . 0 0 "[ . 1 . 2]" 1
5 1 4 TRP HA 1 4 TRP HE3 . . 3.240 3.075 2.623 3.408 0.168 10 0 "[ . 1 . 2]" 1
6 1 4 TRP HA 1 108 ILE H . . 4.110 3.642 2.962 4.199 0.089 10 0 "[ . 1 . 2]" 1
7 1 4 TRP HE3 1 5 THR H . . 5.310 4.170 3.555 4.717 . 0 0 "[ . 1 . 2]" 1
8 1 4 TRP HE3 1 106 ILE H . . 5.340 3.765 3.314 4.320 . 0 0 "[ . 1 . 2]" 1
9 1 4 TRP HE3 1 106 ILE HA . . 4.230 2.984 2.317 3.614 . 0 0 "[ . 1 . 2]" 1
10 1 4 TRP HE3 1 106 ILE MG . . 5.120 4.708 4.316 4.966 . 0 0 "[ . 1 . 2]" 1
11 1 4 TRP HE3 1 107 SER H . . 4.350 3.541 2.865 4.260 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP HH2 1 96 ASP HB2 . . 5.190 3.899 2.425 4.940 . 0 0 "[ . 1 . 2]" 1
13 1 4 TRP HH2 1 96 ASP HB3 . . 3.610 2.672 1.930 3.642 0.032 11 0 "[ . 1 . 2]" 1
14 1 4 TRP HZ3 1 97 THR HA . . 3.110 2.499 1.863 3.124 0.014 18 0 "[ . 1 . 2]" 1
15 1 4 TRP HZ3 1 98 GLN H . . 4.200 3.130 2.517 3.780 . 0 0 "[ . 1 . 2]" 1
16 1 4 TRP HZ3 1 106 ILE HA . . 4.070 2.993 2.485 3.461 . 0 0 "[ . 1 . 2]" 1
17 1 4 TRP HZ3 1 107 SER H . . 4.450 3.195 2.719 4.222 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR H 1 5 THR HB . . 3.480 2.884 2.535 3.594 0.114 20 0 "[ . 1 . 2]" 1
19 1 5 THR H 1 106 ILE H . . 3.730 3.113 2.663 3.620 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR H 1 107 SER HA . . 4.290 3.684 3.287 4.299 0.009 7 0 "[ . 1 . 2]" 1
21 1 5 THR HA 1 6 THR H . . 3.110 2.193 2.133 2.331 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR HB 1 23 VAL MG1 . . 5.030 2.887 2.103 3.977 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR MG 1 6 THR H . . 4.910 2.889 2.404 3.929 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR MG 1 23 VAL MG1 . . 5.770 2.437 1.586 4.069 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR MG 1 106 ILE H . . 6.430 4.789 3.164 5.584 . 0 0 "[ . 1 . 2]" 1
26 1 6 THR H 1 6 THR HB . . 3.300 2.607 2.478 2.731 . 0 0 "[ . 1 . 2]" 1
27 1 6 THR HA 1 7 VAL H . . 3.140 2.154 2.129 2.203 . 0 0 "[ . 1 . 2]" 1
28 1 6 THR HA 1 105 GLN HA . . 3.450 2.552 2.315 2.863 . 0 0 "[ . 1 . 2]" 1
29 1 6 THR HA 1 106 ILE H . . 4.380 4.119 3.646 4.409 0.029 2 0 "[ . 1 . 2]" 1
30 1 6 THR HB 1 106 ILE MD . . 6.520 6.479 5.606 8.094 1.574 20 5 "[ * . * . * -+]" 1
31 1 6 THR MG 1 7 VAL H . . 5.120 2.856 2.510 3.069 . 0 0 "[ . 1 . 2]" 1
32 1 6 THR MG 1 7 VAL HA . . 6.390 4.139 3.787 4.337 . 0 0 "[ . 1 . 2]" 1
33 1 6 THR MG 1 8 CYS H . . 4.660 3.428 1.426 4.172 . 0 0 "[ . 1 . 2]" 1
34 1 6 THR MG 1 103 ASN HA . . 6.520 4.239 3.684 4.743 . 0 0 "[ . 1 . 2]" 1
35 1 6 THR MG 1 104 VAL H . . 5.250 3.718 3.086 4.417 . 0 0 "[ . 1 . 2]" 1
36 1 6 THR MG 1 105 GLN HA . . 6.520 4.115 3.844 4.403 . 0 0 "[ . 1 . 2]" 1
37 1 7 VAL H 1 7 VAL HB . . 3.790 2.566 2.461 2.638 . 0 0 "[ . 1 . 2]" 1
38 1 7 VAL H 1 7 VAL MG2 . . 4.470 2.199 1.987 2.331 . 0 0 "[ . 1 . 2]" 1
39 1 7 VAL H 1 8 CYS H . . 3.390 2.759 2.389 3.148 . 0 0 "[ . 1 . 2]" 1
40 1 7 VAL H 1 105 GLN HA . . 3.860 2.845 2.572 3.378 . 0 0 "[ . 1 . 2]" 1
41 1 7 VAL HB 1 8 CYS H . . 3.390 1.977 1.741 3.399 0.009 13 0 "[ . 1 . 2]" 1
42 1 7 VAL HB 1 21 ALA MB . . 5.280 4.544 3.975 5.673 0.393 3 0 "[ . 1 . 2]" 1
43 1 7 VAL HB 1 104 VAL H . . 4.540 4.128 3.346 4.550 0.010 2 0 "[ . 1 . 2]" 1
44 1 7 VAL MG2 1 8 CYS H . . 5.590 3.527 3.430 3.881 . 0 0 "[ . 1 . 2]" 1
45 1 7 VAL MG2 1 105 GLN HA . . 6.460 2.871 2.241 3.739 . 0 0 "[ . 1 . 2]" 1
46 1 7 VAL MG2 1 106 ILE H . . 6.520 2.931 2.389 3.393 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL MG2 1 106 ILE MD . . 7.540 2.233 1.728 3.567 . 0 0 "[ . 1 . 2]" 1
48 1 8 CYS H 1 104 VAL H . . 3.700 3.183 2.825 3.832 0.132 13 0 "[ . 1 . 2]" 1
49 1 8 CYS H 1 104 VAL HB . . 4.820 3.161 2.604 4.662 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS HB2 1 9 LYS H . . 3.730 3.206 1.859 3.775 0.045 16 0 "[ . 1 . 2]" 1
51 1 8 CYS HB3 1 9 LYS H . . 3.730 2.642 1.996 3.630 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS H 1 9 LYS HB2 . . 3.330 2.542 2.358 2.919 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS HA 1 9 LYS HD2 . . 5.470 4.482 2.017 4.964 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS HA 1 9 LYS HD3 . . 5.470 4.429 3.062 4.885 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS HA 1 10 LEU H . . 3.110 2.297 2.159 3.136 0.026 6 0 "[ . 1 . 2]" 1
56 1 9 LYS HA 1 10 LEU HA . . 4.600 4.409 4.297 4.991 0.391 6 0 "[ . 1 . 2]" 1
57 1 9 LYS HA 1 103 ASN HA . . 3.170 2.121 1.602 3.119 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS HA 1 104 VAL H . . 3.890 3.395 2.695 3.922 0.032 13 0 "[ . 1 . 2]" 1
59 1 9 LYS HB2 1 11 ASP H . . 4.540 3.345 2.474 4.233 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS HB2 1 12 ASP H . . 3.730 2.587 1.493 3.934 0.204 6 0 "[ . 1 . 2]" 1
61 1 9 LYS HB3 1 10 LEU H . . 3.790 2.901 2.319 3.591 . 0 0 "[ . 1 . 2]" 1
62 1 9 LYS HB3 1 11 ASP H . . 3.670 2.423 2.000 3.044 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS HB3 1 12 ASP H . . 4.170 2.962 2.213 3.735 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU H 1 10 LEU HB2 . . 3.420 2.592 2.321 3.266 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU H 1 10 LEU HB3 . . 3.610 2.532 2.354 3.570 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU H 1 10 LEU HG . . 5.130 4.476 4.367 4.899 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU H 1 11 ASP H . . 3.580 2.479 2.131 3.209 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU H 1 103 ASN HA . . 3.830 2.747 1.777 3.878 0.048 6 0 "[ . 1 . 2]" 1
69 1 10 LEU H 1 104 VAL H . . 4.230 3.954 3.597 4.268 0.038 19 0 "[ . 1 . 2]" 1
70 1 10 LEU H 1 104 VAL MG2 . . 4.810 3.275 2.743 3.834 . 0 0 "[ . 1 . 2]" 1
71 1 10 LEU HA 1 10 LEU MD1 . . 4.660 2.393 1.919 3.662 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU HA 1 12 ASP H . . 4.540 4.045 3.621 4.515 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU HA 1 13 ILE HB . . 4.450 3.276 2.408 4.195 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU HA 1 13 ILE MD . . 6.210 3.087 1.880 5.199 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU HB2 1 11 ASP H . . 4.230 4.044 3.792 4.280 0.050 16 0 "[ . 1 . 2]" 1
76 1 10 LEU HB3 1 11 ASP H . . 3.790 3.014 2.438 3.501 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU MD1 1 32 ARG HE . . 5.680 3.536 2.390 5.469 . 0 0 "[ . 1 . 2]" 1
78 1 10 LEU MD1 1 37 GLU HA . . 5.220 2.886 1.835 3.962 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU MD2 1 11 ASP H . . 6.520 4.464 3.316 5.156 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU MD2 1 32 ARG HE . . 6.520 4.112 2.523 6.042 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU MD2 1 37 GLU HA . . 4.380 2.267 1.724 3.155 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU MD2 1 37 GLU HG2 . . 5.500 2.930 1.816 4.585 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU MD2 1 37 GLU HG3 . . 5.500 3.645 2.667 5.244 . 0 0 "[ . 1 . 2]" 1
84 1 11 ASP H 1 11 ASP HB2 . . 3.790 2.786 2.490 3.665 . 0 0 "[ . 1 . 2]" 1
85 1 11 ASP H 1 11 ASP HB3 . . 3.790 2.406 2.249 2.916 . 0 0 "[ . 1 . 2]" 1
86 1 11 ASP H 1 12 ASP H . . 3.550 2.356 2.156 2.659 . 0 0 "[ . 1 . 2]" 1
87 1 11 ASP H 1 13 ILE H . . 3.700 3.820 3.716 3.896 0.196 12 0 "[ . 1 . 2]" 1
88 1 11 ASP HA 1 13 ILE H . . 4.380 3.917 3.504 4.404 0.024 7 0 "[ . 1 . 2]" 1
89 1 12 ASP H 1 12 ASP HB2 . . 3.670 2.701 2.236 3.678 0.008 6 0 "[ . 1 . 2]" 1
90 1 12 ASP H 1 12 ASP HB3 . . 3.670 2.698 2.395 3.617 . 0 0 "[ . 1 . 2]" 1
91 1 12 ASP H 1 13 ILE H . . 3.240 2.331 2.021 2.621 . 0 0 "[ . 1 . 2]" 1
92 1 13 ILE H 1 13 ILE HB . . 3.390 2.550 2.444 2.652 . 0 0 "[ . 1 . 2]" 1
93 1 13 ILE HA 1 14 LEU H . . 2.870 2.150 2.114 2.214 . 0 0 "[ . 1 . 2]" 1
94 1 13 ILE MG 1 14 LEU H . . 4.780 2.805 2.418 3.138 . 0 0 "[ . 1 . 2]" 1
95 1 13 ILE MG 1 17 THR H . . 6.150 4.417 3.729 5.131 . 0 0 "[ . 1 . 2]" 1
96 1 13 ILE MG 1 17 THR HG1 . . 6.520 3.967 2.589 5.237 . 0 0 "[ . 1 . 2]" 1
97 1 13 ILE MG 1 32 ARG H . . 4.910 3.809 3.320 4.598 . 0 0 "[ . 1 . 2]" 1
98 1 13 ILE MG 1 32 ARG HB2 . . 5.250 2.257 1.766 3.013 . 0 0 "[ . 1 . 2]" 1
99 1 13 ILE MG 1 32 ARG HB3 . . 5.250 2.792 2.318 4.126 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU H 1 14 LEU HB2 . . 3.520 2.458 2.380 2.504 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU H 1 14 LEU HB3 . . 3.520 3.577 3.564 3.616 0.096 8 0 "[ . 1 . 2]" 1
102 1 14 LEU H 1 14 LEU HG . . 3.360 2.459 2.183 3.390 0.030 7 0 "[ . 1 . 2]" 1
103 1 14 LEU H 1 17 THR HG1 . . 5.040 4.150 3.012 5.055 0.015 10 0 "[ . 1 . 2]" 1
104 1 14 LEU H 1 17 THR MG . . 5.900 4.756 3.175 6.229 0.329 16 0 "[ . 1 . 2]" 1
105 1 14 LEU HA 1 14 LEU MD2 . . 4.440 2.253 1.937 3.701 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU HA 1 15 PRO HD2 . . 3.670 2.548 1.986 3.050 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU HA 1 15 PRO HD3 . . 3.670 1.995 1.717 2.413 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU HB2 1 17 THR MG . . 5.430 3.220 1.847 4.411 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU HB3 1 17 THR MG . . 5.430 3.955 2.603 5.373 . 0 0 "[ . 1 . 2]" 1
110 1 15 PRO HA 1 16 GLY H . . 3.110 2.162 2.126 2.238 . 0 0 "[ . 1 . 2]" 1
111 1 15 PRO HA 1 17 THR H . . 4.110 3.683 3.379 4.109 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLY H 1 17 THR H . . 3.360 2.386 2.140 2.760 . 0 0 "[ . 1 . 2]" 1
113 1 16 GLY H 1 33 PRO HA . . 3.760 3.526 2.627 3.839 0.079 2 0 "[ . 1 . 2]" 1
114 1 17 THR H 1 17 THR HG1 . . 3.700 2.552 2.205 2.944 . 0 0 "[ . 1 . 2]" 1
115 1 17 THR H 1 17 THR MG . . 4.630 3.580 3.009 4.055 . 0 0 "[ . 1 . 2]" 1
116 1 17 THR H 1 18 GLY H . . 4.510 4.390 4.362 4.404 . 0 0 "[ . 1 . 2]" 1
117 1 17 THR H 1 32 ARG HA . . 4.630 4.819 4.706 4.917 0.287 13 0 "[ . 1 . 2]" 1
118 1 17 THR HA 1 17 THR HB . . 3.020 2.709 2.449 3.012 . 0 0 "[ . 1 . 2]" 1
119 1 17 THR HA 1 18 GLY H . . 3.050 2.504 2.324 2.695 . 0 0 "[ . 1 . 2]" 1
120 1 17 THR HB 1 18 GLY H . . 2.930 2.443 1.818 3.013 0.083 9 0 "[ . 1 . 2]" 1
121 1 17 THR MG 1 18 GLY H . . 5.280 2.727 1.474 3.561 . 0 0 "[ . 1 . 2]" 1
122 1 18 GLY H 1 19 VAL H . . 4.540 3.969 3.269 4.437 . 0 0 "[ . 1 . 2]" 1
123 1 18 GLY HA2 1 19 VAL H . . 3.550 2.225 2.160 2.454 . 0 0 "[ . 1 . 2]" 1
124 1 18 GLY HA2 1 19 VAL MG2 . . 6.520 3.693 3.548 3.954 . 0 0 "[ . 1 . 2]" 1
125 1 18 GLY HA3 1 19 VAL H . . 3.550 3.219 2.757 3.522 . 0 0 "[ . 1 . 2]" 1
126 1 18 GLY HA3 1 19 VAL MG2 . . 6.520 4.814 4.485 5.034 . 0 0 "[ . 1 . 2]" 1
127 1 19 VAL H 1 19 VAL HB . . 4.140 3.815 3.720 3.866 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL H 1 19 VAL MG2 . . 4.260 2.154 1.982 2.274 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL H 1 30 VAL HB . . 4.600 3.405 2.551 3.872 . 0 0 "[ . 1 . 2]" 1
130 1 19 VAL HA 1 20 CYS H . . 2.960 2.295 2.151 2.532 . 0 0 "[ . 1 . 2]" 1
131 1 19 VAL HA 1 30 VAL H . . 4.260 4.401 4.342 4.467 0.207 6 0 "[ . 1 . 2]" 1
132 1 19 VAL HB 1 20 CYS H . . 3.110 2.665 2.065 3.105 . 0 0 "[ . 1 . 2]" 1
133 1 19 VAL MG1 1 30 VAL H . . 5.840 5.113 4.871 5.413 . 0 0 "[ . 1 . 2]" 1
134 1 19 VAL MG2 1 20 CYS H . . 5.370 3.684 3.175 3.999 . 0 0 "[ . 1 . 2]" 1
135 1 19 VAL MG2 1 30 VAL HB . . 4.410 3.474 2.503 4.472 0.062 1 0 "[ . 1 . 2]" 1
136 1 20 CYS H 1 20 CYS HB2 . . 3.790 3.502 2.585 3.596 . 0 0 "[ . 1 . 2]" 1
137 1 20 CYS H 1 20 CYS HB3 . . 3.790 2.799 2.432 3.026 . 0 0 "[ . 1 . 2]" 1
138 1 20 CYS H 1 51 ALA HA . . 4.040 4.229 4.140 4.316 0.276 16 0 "[ . 1 . 2]" 1
139 1 20 CYS HA 1 21 ALA H . . 3.050 2.153 2.129 2.223 . 0 0 "[ . 1 . 2]" 1
140 1 20 CYS HA 1 21 ALA MB . . 6.490 4.038 3.973 4.133 . 0 0 "[ . 1 . 2]" 1
141 1 20 CYS HA 1 30 VAL H . . 3.860 3.736 3.424 3.911 0.051 3 0 "[ . 1 . 2]" 1
142 1 21 ALA H 1 28 ILE H . . 4.010 3.041 2.662 3.587 . 0 0 "[ . 1 . 2]" 1
143 1 21 ALA H 1 28 ILE HB . . 5.500 4.140 3.632 4.948 . 0 0 "[ . 1 . 2]" 1
144 1 21 ALA H 1 29 ALA HA . . 4.510 3.279 2.679 3.662 . 0 0 "[ . 1 . 2]" 1
145 1 21 ALA H 1 30 VAL MG2 . . 5.500 3.514 2.913 4.424 . 0 0 "[ . 1 . 2]" 1
146 1 21 ALA HA 1 22 LEU H . . 3.210 2.211 2.138 2.503 . 0 0 "[ . 1 . 2]" 1
147 1 21 ALA MB 1 22 LEU H . . 4.530 2.930 2.216 3.399 . 0 0 "[ . 1 . 2]" 1
148 1 21 ALA MB 1 28 ILE MD . . 7.540 4.192 1.963 5.320 . 0 0 "[ . 1 . 2]" 1
149 1 22 LEU H 1 22 LEU HB2 . . 3.640 2.509 2.400 2.709 . 0 0 "[ . 1 . 2]" 1
150 1 22 LEU H 1 22 LEU HB3 . . 3.640 2.640 2.557 2.841 . 0 0 "[ . 1 . 2]" 1
151 1 22 LEU HA 1 23 VAL H . . 2.930 2.164 2.107 2.242 . 0 0 "[ . 1 . 2]" 1
152 1 22 LEU HA 1 28 ILE H . . 4.380 4.043 3.638 4.442 0.062 13 0 "[ . 1 . 2]" 1
153 1 22 LEU QD 1 23 VAL H . . 5.710 2.681 2.361 3.446 . 0 0 "[ . 1 . 2]" 1
154 1 22 LEU QD 1 25 GLN HA . . 5.060 3.363 1.763 5.681 0.621 19 1 "[ . 1 . +2]" 1
155 1 22 LEU QD 1 26 GLN H . . 6.270 3.506 3.025 4.485 . 0 0 "[ . 1 . 2]" 1
156 1 22 LEU QD 1 27 GLN HA . . 6.020 3.295 2.827 4.685 . 0 0 "[ . 1 . 2]" 1
157 1 22 LEU HG 1 23 VAL H . . 5.500 5.146 3.946 5.472 . 0 0 "[ . 1 . 2]" 1
158 1 23 VAL H 1 23 VAL HB . . 3.730 2.714 2.589 3.721 . 0 0 "[ . 1 . 2]" 1
159 1 23 VAL H 1 27 GLN HA . . 4.660 3.238 2.661 3.892 . 0 0 "[ . 1 . 2]" 1
160 1 23 VAL HA 1 24 GLU H . . 2.930 2.210 2.093 2.417 . 0 0 "[ . 1 . 2]" 1
161 1 23 VAL HB 1 28 ILE MD . . 5.250 3.081 1.906 4.945 . 0 0 "[ . 1 . 2]" 1
162 1 23 VAL HB 1 108 ILE MD . . 5.810 4.743 2.931 7.979 2.169 8 5 "[ * * + 1 * . -2]" 1
163 1 23 VAL MG1 1 24 GLU HA . . 5.190 4.470 3.807 5.678 0.488 17 0 "[ . 1 . 2]" 1
164 1 23 VAL MG1 1 28 ILE MD . . 7.540 3.541 2.393 5.045 . 0 0 "[ . 1 . 2]" 1
165 1 23 VAL MG2 1 28 ILE HB . . 5.460 3.364 2.194 6.389 0.929 13 1 "[ . 1 + . 2]" 1
166 1 23 VAL MG2 1 28 ILE MD . . 7.200 2.612 1.939 3.726 . 0 0 "[ . 1 . 2]" 1
167 1 24 GLU H 1 25 GLN H . . 4.350 3.717 2.398 4.137 . 0 0 "[ . 1 . 2]" 1
168 1 24 GLU HA 1 25 GLN H . . 3.550 3.492 2.967 3.589 0.039 6 0 "[ . 1 . 2]" 1
169 1 24 GLU HB2 1 25 GLN H . . 3.760 2.345 1.763 4.061 0.301 3 0 "[ . 1 . 2]" 1
170 1 24 GLU HB3 1 25 GLN H . . 3.760 3.059 2.296 4.139 0.379 10 0 "[ . 1 . 2]" 1
171 1 24 GLU HG2 1 25 GLN H . . 5.500 4.376 2.783 5.651 0.151 3 0 "[ . 1 . 2]" 1
172 1 24 GLU HG3 1 25 GLN H . . 5.500 4.295 1.456 4.944 . 0 0 "[ . 1 . 2]" 1
173 1 25 GLN H 1 25 GLN HG2 . . 4.910 3.496 1.902 4.966 0.056 14 0 "[ . 1 . 2]" 1
174 1 25 GLN H 1 25 GLN HG3 . . 4.910 3.246 2.349 4.726 . 0 0 "[ . 1 . 2]" 1
175 1 25 GLN HA 1 25 GLN HG2 . . 4.230 3.451 2.545 4.225 . 0 0 "[ . 1 . 2]" 1
176 1 25 GLN HA 1 25 GLN HG3 . . 4.230 3.357 2.201 3.835 . 0 0 "[ . 1 . 2]" 1
177 1 26 GLN H 1 26 GLN QB . . 3.610 2.524 2.132 3.020 . 0 0 "[ . 1 . 2]" 1
178 1 26 GLN HA 1 27 GLN H . . 2.900 2.241 2.139 2.465 . 0 0 "[ . 1 . 2]" 1
179 1 26 GLN QB 1 28 ILE MD . . 5.900 2.986 1.657 5.426 . 0 0 "[ . 1 . 2]" 1
180 1 27 GLN HA 1 28 ILE H . . 3.080 2.153 2.106 2.226 . 0 0 "[ . 1 . 2]" 1
181 1 28 ILE H 1 28 ILE HB . . 3.580 2.749 2.378 3.680 0.100 13 0 "[ . 1 . 2]" 1
182 1 28 ILE H 1 28 ILE HG12 . . 4.450 4.148 3.690 4.521 0.071 6 0 "[ . 1 . 2]" 1
183 1 28 ILE H 1 28 ILE HG13 . . 4.450 3.264 2.095 4.569 0.119 19 0 "[ . 1 . 2]" 1
184 1 28 ILE HA 1 29 ALA H . . 3.140 2.170 2.115 2.220 . 0 0 "[ . 1 . 2]" 1
185 1 28 ILE HA 1 44 ASN H . . 3.790 3.881 3.702 3.984 0.194 7 0 "[ . 1 . 2]" 1
186 1 28 ILE HB 1 29 ALA H . . 4.540 4.031 2.913 4.322 . 0 0 "[ . 1 . 2]" 1
187 1 28 ILE MD 1 41 ALA MB . . 7.540 3.876 2.078 4.974 . 0 0 "[ . 1 . 2]" 1
188 1 28 ILE MD 1 106 ILE MD . . 7.040 3.115 2.056 4.181 . 0 0 "[ . 1 . 2]" 1
189 1 28 ILE MD 1 106 ILE MG . . 7.450 3.469 2.022 4.794 . 0 0 "[ . 1 . 2]" 1
190 1 28 ILE MD 1 108 ILE MD . . 6.490 4.652 2.226 7.877 1.387 2 3 "[ + - 1 * . 2]" 1
191 1 28 ILE MD 1 108 ILE MG . . 7.540 3.808 2.141 5.247 . 0 0 "[ . 1 . 2]" 1
192 1 28 ILE MG 1 29 ALA H . . 4.940 2.709 2.314 3.776 . 0 0 "[ . 1 . 2]" 1
193 1 28 ILE MG 1 41 ALA HA . . 6.520 3.161 2.565 4.669 . 0 0 "[ . 1 . 2]" 1
194 1 28 ILE MG 1 41 ALA MB . . 6.300 2.170 1.795 3.401 . 0 0 "[ . 1 . 2]" 1
195 1 28 ILE MG 1 42 ILE H . . 5.960 3.122 2.481 5.025 . 0 0 "[ . 1 . 2]" 1
196 1 28 ILE MG 1 42 ILE MD . . 7.140 5.538 5.237 7.347 0.207 19 0 "[ . 1 . 2]" 1
197 1 28 ILE MG 1 42 ILE MG . . 7.540 4.423 4.012 6.299 . 0 0 "[ . 1 . 2]" 1
198 1 29 ALA H 1 42 ILE H . . 3.890 3.513 3.261 3.689 . 0 0 "[ . 1 . 2]" 1
199 1 29 ALA H 1 44 ASN H . . 4.260 2.671 2.465 2.978 . 0 0 "[ . 1 . 2]" 1
200 1 29 ALA HA 1 30 VAL H . . 3.080 2.158 2.130 2.247 . 0 0 "[ . 1 . 2]" 1
201 1 29 ALA HA 1 30 VAL MG2 . . 6.520 3.483 3.311 3.670 . 0 0 "[ . 1 . 2]" 1
202 1 29 ALA MB 1 30 VAL H . . 5.150 3.125 2.824 3.365 . 0 0 "[ . 1 . 2]" 1
203 1 29 ALA MB 1 42 ILE H . . 6.520 3.502 3.186 4.013 . 0 0 "[ . 1 . 2]" 1
204 1 29 ALA MB 1 42 ILE MD . . 7.540 4.255 3.675 4.883 . 0 0 "[ . 1 . 2]" 1
205 1 29 ALA MB 1 44 ASN HA . . 5.090 4.204 3.825 4.821 . 0 0 "[ . 1 . 2]" 1
206 1 29 ALA MB 1 55 SER H . . 5.340 4.778 4.306 5.651 0.311 2 0 "[ . 1 . 2]" 1
207 1 29 ALA MB 1 55 SER HA . . 5.530 4.924 4.374 5.646 0.116 18 0 "[ . 1 . 2]" 1
208 1 29 ALA MB 1 55 SER HB2 . . 6.300 3.631 2.418 4.531 . 0 0 "[ . 1 . 2]" 1
209 1 29 ALA MB 1 55 SER HB3 . . 6.300 3.557 2.900 5.248 . 0 0 "[ . 1 . 2]" 1
210 1 30 VAL H 1 30 VAL HB . . 3.420 2.652 2.605 2.723 . 0 0 "[ . 1 . 2]" 1
211 1 30 VAL HA 1 31 PHE H . . 3.080 2.141 2.103 2.233 . 0 0 "[ . 1 . 2]" 1
212 1 30 VAL HA 1 40 TYR HB3 . . 5.340 5.422 5.371 5.500 0.160 10 0 "[ . 1 . 2]" 1
213 1 30 VAL HA 1 41 ALA H . . 4.260 4.258 3.996 4.384 0.124 4 0 "[ . 1 . 2]" 1
214 1 30 VAL HA 1 41 ALA MB . . 5.960 2.968 2.499 3.419 . 0 0 "[ . 1 . 2]" 1
215 1 30 VAL HA 1 42 ILE H . . 4.510 3.582 3.445 3.743 . 0 0 "[ . 1 . 2]" 1
216 1 30 VAL MG1 1 31 PHE H . . 4.600 3.153 2.297 3.325 . 0 0 "[ . 1 . 2]" 1
217 1 31 PHE H 1 31 PHE HB2 . . 3.830 2.482 2.195 3.297 . 0 0 "[ . 1 . 2]" 1
218 1 31 PHE H 1 40 TYR H . . 3.920 3.028 2.634 3.647 . 0 0 "[ . 1 . 2]" 1
219 1 31 PHE H 1 41 ALA HA . . 4.660 3.223 2.678 3.540 . 0 0 "[ . 1 . 2]" 1
220 1 31 PHE H 1 41 ALA MB . . 6.300 4.321 3.834 4.666 . 0 0 "[ . 1 . 2]" 1
221 1 31 PHE HA 1 32 ARG H . . 3.050 2.172 2.133 2.225 . 0 0 "[ . 1 . 2]" 1
222 1 31 PHE HB2 1 40 TYR HB2 . . 5.440 2.103 1.486 4.249 . 0 0 "[ . 1 . 2]" 1
223 1 31 PHE HB2 1 79 LEU MD1 . . 6.520 3.909 2.933 5.425 . 0 0 "[ . 1 . 2]" 1
224 1 31 PHE HB3 1 32 ARG H . . 4.350 3.413 2.947 4.233 . 0 0 "[ . 1 . 2]" 1
225 1 31 PHE HB3 1 79 LEU MD1 . . 6.490 3.558 2.464 4.636 . 0 0 "[ . 1 . 2]" 1
226 1 32 ARG HA 1 39 VAL MG1 . . 5.960 2.882 2.108 4.950 . 0 0 "[ . 1 . 2]" 1
227 1 32 ARG HE 1 36 ASP H . . 3.890 3.609 2.615 3.987 0.097 20 0 "[ . 1 . 2]" 1
228 1 33 PRO HB2 1 34 ARG H . . 4.200 3.040 2.331 3.775 . 0 0 "[ . 1 . 2]" 1
229 1 33 PRO HB3 1 34 ARG H . . 4.200 4.105 3.779 4.303 0.103 20 0 "[ . 1 . 2]" 1
230 1 35 ASN H 1 35 ASN HB2 . . 3.760 2.864 2.359 3.660 . 0 0 "[ . 1 . 2]" 1
231 1 35 ASN H 1 35 ASN HB3 . . 3.760 2.927 2.440 3.686 . 0 0 "[ . 1 . 2]" 1
232 1 35 ASN H 1 36 ASP H . . 3.830 2.902 2.378 3.839 0.009 12 0 "[ . 1 . 2]" 1
233 1 35 ASN HA 1 36 ASP H . . 3.270 2.891 2.148 3.392 0.122 13 0 "[ . 1 . 2]" 1
234 1 36 ASP HA 1 37 GLU H . . 3.450 2.841 2.473 3.525 0.075 7 0 "[ . 1 . 2]" 1
235 1 36 ASP HB2 1 37 GLU H . . 3.580 3.153 1.786 3.732 0.152 1 0 "[ . 1 . 2]" 1
236 1 36 ASP HB3 1 37 GLU H . . 3.580 2.614 1.635 3.519 . 0 0 "[ . 1 . 2]" 1
237 1 37 GLU H 1 37 GLU HB2 . . 3.550 2.527 2.297 3.588 0.038 12 0 "[ . 1 . 2]" 1
238 1 37 GLU H 1 37 GLU HB3 . . 3.550 3.573 2.550 3.950 0.400 12 0 "[ . 1 . 2]" 1
239 1 37 GLU H 1 37 GLU HG2 . . 4.970 3.706 2.353 4.400 . 0 0 "[ . 1 . 2]" 1
240 1 37 GLU H 1 37 GLU HG3 . . 4.970 2.820 2.066 4.687 . 0 0 "[ . 1 . 2]" 1
241 1 37 GLU H 1 38 GLN H . . 3.270 2.587 2.043 3.294 0.024 18 0 "[ . 1 . 2]" 1
242 1 38 GLN H 1 38 GLN HB2 . . 3.760 2.730 2.209 3.752 . 0 0 "[ . 1 . 2]" 1
243 1 38 GLN H 1 38 GLN HB3 . . 3.760 3.120 2.435 3.624 . 0 0 "[ . 1 . 2]" 1
244 1 38 GLN HA 1 39 VAL H . . 2.800 2.174 2.098 2.339 . 0 0 "[ . 1 . 2]" 1
245 1 38 GLN HA 1 39 VAL MG2 . . 6.520 3.693 3.428 3.872 . 0 0 "[ . 1 . 2]" 1
246 1 39 VAL HA 1 40 TYR H . . 3.110 2.377 2.212 2.590 . 0 0 "[ . 1 . 2]" 1
247 1 39 VAL HA 1 40 TYR HA . . 4.600 4.456 4.375 4.542 . 0 0 "[ . 1 . 2]" 1
248 1 39 VAL HB 1 40 TYR H . . 3.420 2.437 2.040 2.914 . 0 0 "[ . 1 . 2]" 1
249 1 39 VAL HB 1 97 THR MG . . 6.520 4.698 3.654 5.978 . 0 0 "[ . 1 . 2]" 1
250 1 39 VAL MG2 1 97 THR HA . . 6.520 5.321 4.066 6.273 . 0 0 "[ . 1 . 2]" 1
251 1 39 VAL MG2 1 97 THR HB . . 4.660 3.303 2.060 4.189 . 0 0 "[ . 1 . 2]" 1
252 1 39 VAL MG2 1 97 THR MG . . 7.540 3.121 1.849 4.395 . 0 0 "[ . 1 . 2]" 1
253 1 39 VAL MG2 1 99 VAL MG2 . . 7.070 2.758 2.108 4.351 . 0 0 "[ . 1 . 2]" 1
254 1 40 TYR H 1 40 TYR HB2 . . 4.010 2.672 2.482 2.809 . 0 0 "[ . 1 . 2]" 1
255 1 40 TYR H 1 41 ALA H . . 3.980 3.934 3.697 4.051 0.071 16 0 "[ . 1 . 2]" 1
256 1 40 TYR H 1 41 ALA HA . . 4.630 4.618 4.540 4.766 0.136 9 0 "[ . 1 . 2]" 1
257 1 40 TYR HA 1 41 ALA H . . 2.990 2.182 2.133 2.265 . 0 0 "[ . 1 . 2]" 1
258 1 40 TYR HB2 1 79 LEU HB2 . . 5.500 5.222 4.545 5.542 0.042 19 0 "[ . 1 . 2]" 1
259 1 40 TYR HB2 1 79 LEU HB3 . . 5.500 3.749 3.069 4.180 . 0 0 "[ . 1 . 2]" 1
260 1 40 TYR HB2 1 79 LEU MD1 . . 6.300 3.794 2.872 5.034 . 0 0 "[ . 1 . 2]" 1
261 1 40 TYR HB3 1 41 ALA H . . 4.170 3.800 3.539 4.050 . 0 0 "[ . 1 . 2]" 1
262 1 40 TYR HB3 1 79 LEU MD1 . . 6.520 4.389 3.374 5.488 . 0 0 "[ . 1 . 2]" 1
263 1 41 ALA H 1 42 ILE MG . . 6.020 3.639 3.402 3.891 . 0 0 "[ . 1 . 2]" 1
264 1 41 ALA H 1 97 THR MG . . 5.090 2.702 1.895 3.929 . 0 0 "[ . 1 . 2]" 1
265 1 41 ALA HA 1 42 ILE H . . 2.990 2.172 2.122 2.203 . 0 0 "[ . 1 . 2]" 1
266 1 41 ALA MB 1 42 ILE H . . 4.780 3.456 3.334 3.532 . 0 0 "[ . 1 . 2]" 1
267 1 41 ALA MB 1 95 TYR H . . 6.520 4.881 3.251 5.934 . 0 0 "[ . 1 . 2]" 1
268 1 41 ALA MB 1 95 TYR HB2 . . 4.940 3.963 2.598 5.200 0.260 19 0 "[ . 1 . 2]" 1
269 1 41 ALA MB 1 95 TYR HB3 . . 5.770 5.047 3.717 6.316 0.546 19 1 "[ . 1 . +2]" 1
270 1 42 ILE HA 1 43 SER H . . 3.480 2.464 2.332 2.660 . 0 0 "[ . 1 . 2]" 1
271 1 42 ILE HA 1 92 VAL MG2 . . 6.520 5.347 4.142 7.130 0.610 12 1 "[ . 1 + . 2]" 1
272 1 42 ILE HA 1 94 ALA HA . . 3.300 2.943 2.170 3.333 0.033 6 0 "[ . 1 . 2]" 1
273 1 42 ILE HA 1 94 ALA MB . . 6.210 4.282 3.397 4.804 . 0 0 "[ . 1 . 2]" 1
274 1 42 ILE HA 1 95 TYR H . . 3.920 2.871 2.029 3.816 . 0 0 "[ . 1 . 2]" 1
275 1 42 ILE HB 1 43 SER H . . 3.360 2.327 1.929 2.648 . 0 0 "[ . 1 . 2]" 1
276 1 42 ILE HB 1 92 VAL MG2 . . 4.910 3.405 2.151 5.289 0.379 12 0 "[ . 1 . 2]" 1
277 1 42 ILE HB 1 94 ALA HA . . 5.500 2.779 1.753 3.813 . 0 0 "[ . 1 . 2]" 1
278 1 42 ILE HB 1 94 ALA MB . . 6.270 3.589 3.054 4.254 . 0 0 "[ . 1 . 2]" 1
279 1 42 ILE MD 1 77 PHE HB2 . . 6.330 4.670 3.452 6.311 . 0 0 "[ . 1 . 2]" 1
280 1 42 ILE MD 1 77 PHE HB3 . . 6.270 4.320 2.916 6.357 0.087 9 0 "[ . 1 . 2]" 1
281 1 42 ILE MD 1 79 LEU HA . . 6.460 2.781 2.180 3.258 . 0 0 "[ . 1 . 2]" 1
282 1 42 ILE MD 1 79 LEU MD2 . . 7.540 2.971 2.003 4.420 . 0 0 "[ . 1 . 2]" 1
283 1 42 ILE MG 1 79 LEU HA . . 4.530 4.161 3.037 5.221 0.691 4 2 "[ +. - 1 . 2]" 1
284 1 42 ILE MG 1 79 LEU MD2 . . 7.540 4.560 3.396 6.032 . 0 0 "[ . 1 . 2]" 1
285 1 42 ILE MG 1 82 GLY H . . 5.370 5.500 4.783 6.422 1.052 6 4 "[ -.+ * . *2]" 1
286 1 42 ILE MG 1 82 GLY HA2 . . 5.900 5.018 4.122 5.763 . 0 0 "[ . 1 . 2]" 1
287 1 42 ILE MG 1 82 GLY HA3 . . 5.900 5.491 4.638 6.176 0.276 6 0 "[ . 1 . 2]" 1
288 1 42 ILE MG 1 94 ALA HA . . 4.880 1.978 1.477 2.618 . 0 0 "[ . 1 . 2]" 1
289 1 42 ILE MG 1 95 TYR H . . 5.500 2.871 1.893 3.761 . 0 0 "[ . 1 . 2]" 1
290 1 43 SER H 1 43 SER HB2 . . 3.890 2.594 2.413 3.635 . 0 0 "[ . 1 . 2]" 1
291 1 43 SER H 1 43 SER HB3 . . 3.890 3.564 2.705 3.654 . 0 0 "[ . 1 . 2]" 1
292 1 43 SER H 1 92 VAL HB . . 5.040 3.695 2.291 4.770 . 0 0 "[ . 1 . 2]" 1
293 1 43 SER H 1 92 VAL MG2 . . 6.300 4.127 2.871 5.422 . 0 0 "[ . 1 . 2]" 1
294 1 43 SER H 1 93 ALA MB . . 6.120 3.655 2.914 4.740 . 0 0 "[ . 1 . 2]" 1
295 1 43 SER H 1 94 ALA HA . . 4.570 3.580 2.600 4.369 . 0 0 "[ . 1 . 2]" 1
296 1 43 SER HA 1 44 ASN H . . 2.990 2.460 2.223 2.687 . 0 0 "[ . 1 . 2]" 1
297 1 43 SER HB2 1 92 VAL HB . . 4.600 3.089 1.897 3.939 . 0 0 "[ . 1 . 2]" 1
298 1 43 SER HB2 1 93 ALA MB . . 5.900 3.022 1.753 4.662 . 0 0 "[ . 1 . 2]" 1
299 1 43 SER HB3 1 92 VAL HB . . 4.600 4.263 3.476 4.637 0.037 1 0 "[ . 1 . 2]" 1
300 1 43 SER HB3 1 93 ALA MB . . 5.900 3.990 2.934 5.679 . 0 0 "[ . 1 . 2]" 1
301 1 44 ASN HA 1 54 LEU HB3 . . 5.310 5.284 4.586 5.385 0.075 3 0 "[ . 1 . 2]" 1
302 1 44 ASN HA 1 54 LEU MD1 . . 6.300 3.394 2.573 4.362 . 0 0 "[ . 1 . 2]" 1
303 1 45 ILE H 1 45 ILE HB . . 3.300 2.672 2.487 2.901 . 0 0 "[ . 1 . 2]" 1
304 1 45 ILE H 1 45 ILE MD . . 5.500 3.263 2.163 4.007 . 0 0 "[ . 1 . 2]" 1
305 1 45 ILE H 1 45 ILE HG12 . . 4.170 2.881 1.958 4.310 0.140 7 0 "[ . 1 . 2]" 1
306 1 45 ILE H 1 45 ILE HG13 . . 4.170 3.871 2.715 4.196 0.026 9 0 "[ . 1 . 2]" 1
307 1 45 ILE HA 1 46 ASP H . . 3.170 2.412 2.135 3.381 0.211 13 0 "[ . 1 . 2]" 1
308 1 45 ILE HA 1 52 SER HA . . 3.520 2.560 1.789 3.437 . 0 0 "[ . 1 . 2]" 1
309 1 45 ILE HA 1 53 VAL H . . 3.950 4.044 3.978 4.163 0.213 13 0 "[ . 1 . 2]" 1
310 1 45 ILE HB 1 46 ASP H . . 4.600 3.811 1.605 4.350 . 0 0 "[ . 1 . 2]" 1
311 1 45 ILE MD 1 46 ASP H . . 6.180 4.125 3.464 5.038 . 0 0 "[ . 1 . 2]" 1
312 1 45 ILE MD 1 51 ALA HA . . 6.490 3.950 2.653 5.629 . 0 0 "[ . 1 . 2]" 1
313 1 45 ILE MD 1 52 SER HA . . 5.220 3.152 2.088 5.790 0.570 2 1 "[ + . 1 . 2]" 1
314 1 45 ILE MG 1 46 ASP H . . 5.340 2.779 1.900 4.084 . 0 0 "[ . 1 . 2]" 1
315 1 45 ILE MG 1 47 PRO HA . . 5.400 3.882 3.227 5.078 . 0 0 "[ . 1 . 2]" 1
316 1 45 ILE MG 1 50 GLN H . . 6.020 3.465 2.923 3.990 . 0 0 "[ . 1 . 2]" 1
317 1 45 ILE MG 1 50 GLN HA . . 4.810 2.460 1.993 3.255 . 0 0 "[ . 1 . 2]" 1
318 1 45 ILE MG 1 51 ALA H . . 5.000 2.791 2.301 3.470 . 0 0 "[ . 1 . 2]" 1
319 1 45 ILE MG 1 51 ALA HA . . 6.520 3.113 2.805 3.789 . 0 0 "[ . 1 . 2]" 1
320 1 45 ILE MG 1 52 SER HA . . 6.300 3.608 2.822 4.503 . 0 0 "[ . 1 . 2]" 1
321 1 46 ASP H 1 46 ASP HB2 . . 3.890 2.875 2.416 4.029 0.139 12 0 "[ . 1 . 2]" 1
322 1 46 ASP H 1 46 ASP HB3 . . 3.890 2.742 2.288 3.729 . 0 0 "[ . 1 . 2]" 1
323 1 46 ASP H 1 52 SER HA . . 4.320 3.753 3.148 4.370 0.050 9 0 "[ . 1 . 2]" 1
324 1 46 ASP HA 1 54 LEU MD1 . . 5.500 2.894 2.478 3.546 . 0 0 "[ . 1 . 2]" 1
325 1 46 ASP HA 1 92 VAL MG1 . . 6.240 5.613 4.188 6.440 0.200 20 0 "[ . 1 . 2]" 1
326 1 46 ASP HB2 1 53 VAL QG . . 5.370 2.515 1.966 2.981 . 0 0 "[ . 1 . 2]" 1
327 1 46 ASP HB3 1 53 VAL QG . . 5.370 2.196 1.742 2.727 . 0 0 "[ . 1 . 2]" 1
328 1 47 PRO HA 1 50 GLN H . . 4.010 3.668 3.198 4.176 0.166 12 0 "[ . 1 . 2]" 1
329 1 48 PHE H 1 49 ALA H . . 3.420 2.276 2.058 2.458 . 0 0 "[ . 1 . 2]" 1
330 1 48 PHE H 1 49 ALA MB . . 6.150 4.050 3.599 4.403 . 0 0 "[ . 1 . 2]" 1
331 1 48 PHE HB2 1 49 ALA H . . 4.320 4.009 3.144 4.348 0.028 14 0 "[ . 1 . 2]" 1
332 1 48 PHE HB3 1 49 ALA H . . 4.320 3.220 2.302 4.363 0.043 17 0 "[ . 1 . 2]" 1
333 1 49 ALA H 1 50 GLN H . . 3.240 1.876 1.800 1.983 . 0 0 "[ . 1 . 2]" 1
334 1 49 ALA H 1 50 GLN HA . . 3.980 4.071 3.978 4.168 0.188 5 0 "[ . 1 . 2]" 1
335 1 49 ALA MB 1 50 GLN H . . 5.190 2.884 2.630 3.254 . 0 0 "[ . 1 . 2]" 1
336 1 49 ALA MB 1 51 ALA H . . 6.520 2.858 2.338 4.186 . 0 0 "[ . 1 . 2]" 1
337 1 50 GLN H 1 50 GLN HG2 . . 5.440 4.192 2.774 5.272 . 0 0 "[ . 1 . 2]" 1
338 1 50 GLN H 1 50 GLN HG3 . . 5.440 3.974 2.789 4.825 . 0 0 "[ . 1 . 2]" 1
339 1 50 GLN H 1 51 ALA H . . 3.480 2.686 2.513 3.044 . 0 0 "[ . 1 . 2]" 1
340 1 50 GLN HA 1 51 ALA H . . 3.420 2.878 2.354 3.380 . 0 0 "[ . 1 . 2]" 1
341 1 51 ALA MB 1 53 VAL QG . . 6.020 2.332 1.969 2.894 . 0 0 "[ . 1 . 2]" 1
342 1 52 SER HA 1 53 VAL H . . 3.240 2.546 2.306 2.742 . 0 0 "[ . 1 . 2]" 1
343 1 52 SER HA 1 53 VAL QG . . 6.520 3.739 3.614 3.844 . 0 0 "[ . 1 . 2]" 1
344 1 52 SER HA 1 54 LEU H . . 4.070 3.037 2.894 3.228 . 0 0 "[ . 1 . 2]" 1
345 1 53 VAL H 1 53 VAL QG . . 4.220 1.887 1.816 1.940 . 0 0 "[ . 1 . 2]" 1
346 1 53 VAL H 1 54 LEU H . . 3.210 2.385 2.136 2.566 . 0 0 "[ . 1 . 2]" 1
347 1 53 VAL H 1 55 SER H . . 4.320 3.952 3.714 4.360 0.040 6 0 "[ . 1 . 2]" 1
348 1 53 VAL HB 1 71 PRO HG2 . . 4.600 3.758 2.667 4.389 . 0 0 "[ . 1 . 2]" 1
349 1 53 VAL HB 1 71 PRO HG3 . . 4.600 4.400 2.997 4.660 0.060 16 0 "[ . 1 . 2]" 1
350 1 53 VAL QG 1 54 LEU H . . 4.970 2.624 2.412 3.098 . 0 0 "[ . 1 . 2]" 1
351 1 53 VAL QG 1 70 SER HA . . 6.520 5.276 4.384 6.036 . 0 0 "[ . 1 . 2]" 1
352 1 53 VAL QG 1 71 PRO HG2 . . 5.960 4.042 3.011 4.520 . 0 0 "[ . 1 . 2]" 1
353 1 53 VAL QG 1 71 PRO HG3 . . 5.960 4.655 3.702 4.935 . 0 0 "[ . 1 . 2]" 1
354 1 53 VAL QG 1 72 LEU H . . 6.520 4.578 3.651 5.811 . 0 0 "[ . 1 . 2]" 1
355 1 53 VAL QG 1 72 LEU HG . . 5.280 3.786 2.508 5.829 0.549 12 1 "[ . 1 + . 2]" 1
356 1 54 LEU H 1 54 LEU HB2 . . 3.700 2.524 2.408 2.618 . 0 0 "[ . 1 . 2]" 1
357 1 54 LEU H 1 54 LEU HB3 . . 4.140 3.613 3.572 3.684 . 0 0 "[ . 1 . 2]" 1
358 1 54 LEU H 1 54 LEU HG . . 3.580 2.388 2.021 3.614 0.034 3 0 "[ . 1 . 2]" 1
359 1 54 LEU H 1 55 SER H . . 3.980 2.384 2.146 2.675 . 0 0 "[ . 1 . 2]" 1
360 1 54 LEU HA 1 54 LEU MD2 . . 4.190 2.166 2.000 3.600 . 0 0 "[ . 1 . 2]" 1
361 1 54 LEU MD1 1 92 VAL MG2 . . 7.540 4.847 3.519 5.835 . 0 0 "[ . 1 . 2]" 1
362 1 55 SER H 1 56 ARG H . . 3.920 2.303 1.857 2.661 . 0 0 "[ . 1 . 2]" 1
363 1 55 SER H 1 57 GLY H . . 4.660 4.365 3.981 4.829 0.169 20 0 "[ . 1 . 2]" 1
364 1 56 ARG H 1 56 ARG HB2 . . 3.860 2.775 2.299 3.815 . 0 0 "[ . 1 . 2]" 1
365 1 56 ARG H 1 56 ARG HB3 . . 3.860 3.020 2.481 3.720 . 0 0 "[ . 1 . 2]" 1
366 1 56 ARG H 1 57 GLY H . . 3.360 2.878 2.150 3.493 0.133 19 0 "[ . 1 . 2]" 1
367 1 57 GLY H 1 58 ILE H . . 4.260 3.827 2.539 4.276 0.016 11 0 "[ . 1 . 2]" 1
368 1 57 GLY H 1 68 VAL MG2 . . 5.190 3.254 2.458 4.741 . 0 0 "[ . 1 . 2]" 1
369 1 58 ILE H 1 58 ILE HB . . 3.210 2.576 2.468 2.754 . 0 0 "[ . 1 . 2]" 1
370 1 58 ILE H 1 58 ILE HG12 . . 4.200 3.542 2.412 4.169 . 0 0 "[ . 1 . 2]" 1
371 1 58 ILE H 1 58 ILE HG13 . . 4.200 3.153 2.063 4.190 . 0 0 "[ . 1 . 2]" 1
372 1 58 ILE H 1 68 VAL MG2 . . 6.520 3.511 3.094 5.781 . 0 0 "[ . 1 . 2]" 1
373 1 58 ILE H 1 69 ALA H . . 4.260 3.214 2.759 4.306 0.046 20 0 "[ . 1 . 2]" 1
374 1 58 ILE H 1 69 ALA MB . . 5.930 3.013 2.441 4.619 . 0 0 "[ . 1 . 2]" 1
375 1 58 ILE HA 1 59 VAL H . . 2.870 2.119 2.086 2.157 . 0 0 "[ . 1 . 2]" 1
376 1 58 ILE HA 1 59 VAL HB . . 4.450 4.561 4.535 4.641 0.191 20 0 "[ . 1 . 2]" 1
377 1 58 ILE HA 1 59 VAL MG2 . . 6.390 3.986 3.565 5.463 . 0 0 "[ . 1 . 2]" 1
378 1 58 ILE HB 1 69 ALA MB . . 5.060 1.927 1.543 2.559 . 0 0 "[ . 1 . 2]" 1
379 1 58 ILE MG 1 59 VAL H . . 4.600 2.977 2.541 3.230 . 0 0 "[ . 1 . 2]" 1
380 1 58 ILE MG 1 59 VAL HB . . 6.150 4.590 3.999 5.202 . 0 0 "[ . 1 . 2]" 1
381 1 58 ILE MG 1 60 ALA MB . . 7.540 2.672 1.952 3.167 . 0 0 "[ . 1 . 2]" 1
382 1 59 VAL H 1 59 VAL HB . . 3.240 2.556 2.440 3.169 . 0 0 "[ . 1 . 2]" 1
383 1 59 VAL H 1 59 VAL MG2 . . 4.600 2.524 2.133 3.901 . 0 0 "[ . 1 . 2]" 1
384 1 59 VAL H 1 60 ALA H . . 4.140 4.214 4.153 4.307 0.167 3 0 "[ . 1 . 2]" 1
385 1 59 VAL HA 1 60 ALA H . . 2.900 2.161 2.103 2.217 . 0 0 "[ . 1 . 2]" 1
386 1 59 VAL HA 1 60 ALA MB . . 6.270 4.055 3.917 4.120 . 0 0 "[ . 1 . 2]" 1
387 1 59 VAL MG1 1 60 ALA H . . 4.500 3.388 3.041 4.177 . 0 0 "[ . 1 . 2]" 1
388 1 59 VAL MG1 1 79 LEU MD1 . . 7.540 3.060 1.985 5.148 . 0 0 "[ . 1 . 2]" 1
389 1 59 VAL MG2 1 60 ALA H . . 6.520 4.003 2.786 4.256 . 0 0 "[ . 1 . 2]" 1
390 1 59 VAL MG2 1 68 VAL HB . . 5.190 3.454 2.487 4.572 . 0 0 "[ . 1 . 2]" 1
391 1 59 VAL MG2 1 79 LEU MD1 . . 6.950 3.326 2.127 4.592 . 0 0 "[ . 1 . 2]" 1
392 1 60 ALA H 1 67 TRP H . . 3.890 3.712 3.193 3.965 0.075 11 0 "[ . 1 . 2]" 1
393 1 60 ALA HA 1 61 GLU H . . 2.990 2.262 2.129 2.559 . 0 0 "[ . 1 . 2]" 1
394 1 60 ALA MB 1 61 GLU H . . 4.380 2.855 2.053 3.499 . 0 0 "[ . 1 . 2]" 1
395 1 61 GLU H 1 61 GLU HB2 . . 3.420 2.810 2.286 3.630 0.210 17 0 "[ . 1 . 2]" 1
396 1 61 GLU H 1 61 GLU HB3 . . 3.420 2.770 2.375 3.604 0.184 5 0 "[ . 1 . 2]" 1
397 1 61 GLU H 1 66 LEU MD2 . . 6.180 4.312 3.695 5.147 . 0 0 "[ . 1 . 2]" 1
398 1 61 GLU HA 1 62 HIS H . . 3.050 2.184 2.096 2.399 . 0 0 "[ . 1 . 2]" 1
399 1 61 GLU HA 1 66 LEU MD2 . . 5.030 2.665 2.244 3.296 . 0 0 "[ . 1 . 2]" 1
400 1 61 GLU HA 1 67 TRP HD1 . . 3.420 3.423 3.170 3.543 0.123 10 0 "[ . 1 . 2]" 1
401 1 61 GLU HG2 1 62 HIS H . . 4.540 3.634 2.847 4.637 0.097 8 0 "[ . 1 . 2]" 1
402 1 61 GLU HG3 1 62 HIS H . . 4.540 3.831 2.996 4.709 0.169 18 0 "[ . 1 . 2]" 1
403 1 62 HIS H 1 65 ASP H . . 3.760 3.626 2.701 3.901 0.141 4 0 "[ . 1 . 2]" 1
404 1 62 HIS H 1 66 LEU HA . . 4.350 3.418 3.103 4.074 . 0 0 "[ . 1 . 2]" 1
405 1 62 HIS H 1 66 LEU MD2 . . 6.520 3.934 3.320 4.947 . 0 0 "[ . 1 . 2]" 1
406 1 62 HIS H 1 67 TRP HD1 . . 2.990 2.492 1.978 3.006 0.016 19 0 "[ . 1 . 2]" 1
407 1 62 HIS H 1 67 TRP HE1 . . 4.200 3.928 3.617 4.248 0.048 5 0 "[ . 1 . 2]" 1
408 1 62 HIS HB2 1 67 TRP HE1 . . 4.760 3.473 2.011 4.830 0.070 4 0 "[ . 1 . 2]" 1
409 1 62 HIS HB3 1 67 TRP HE1 . . 4.760 2.640 1.921 3.220 . 0 0 "[ . 1 . 2]" 1
410 1 62 HIS HD2 1 67 TRP HE1 . . 4.110 3.820 2.945 4.194 0.084 10 0 "[ . 1 . 2]" 1
411 1 62 HIS HD2 1 85 LEU QD . . 4.690 3.987 2.381 6.253 1.563 19 2 "[ . 1 - . +2]" 1
412 1 63 GLN H 1 63 GLN HG2 . . 5.070 3.837 2.974 4.944 . 0 0 "[ . 1 . 2]" 1
413 1 63 GLN H 1 63 GLN HG3 . . 5.070 3.724 2.452 4.873 . 0 0 "[ . 1 . 2]" 1
414 1 63 GLN H 1 64 ASP H . . 4.290 3.278 1.878 4.113 . 0 0 "[ . 1 . 2]" 1
415 1 63 GLN HB2 1 64 ASP H . . 4.450 2.783 1.915 4.459 0.009 5 0 "[ . 1 . 2]" 1
416 1 63 GLN HB3 1 64 ASP H . . 4.450 2.907 1.803 4.433 . 0 0 "[ . 1 . 2]" 1
417 1 64 ASP H 1 65 ASP H . . 3.610 2.094 1.624 3.512 . 0 0 "[ . 1 . 2]" 1
418 1 65 ASP H 1 67 TRP HE1 . . 4.290 3.648 2.557 4.371 0.081 19 0 "[ . 1 . 2]" 1
419 1 65 ASP HA 1 66 LEU H . . 3.210 2.500 2.193 2.716 . 0 0 "[ . 1 . 2]" 1
420 1 65 ASP HB2 1 67 TRP HE1 . . 4.910 2.714 1.510 3.901 . 0 0 "[ . 1 . 2]" 1
421 1 65 ASP HB3 1 67 TRP HE1 . . 4.910 2.095 1.548 3.270 . 0 0 "[ . 1 . 2]" 1
422 1 66 LEU H 1 66 LEU HB2 . . 3.550 2.577 2.466 2.741 . 0 0 "[ . 1 . 2]" 1
423 1 66 LEU H 1 66 LEU HB3 . . 4.010 3.729 3.641 3.832 . 0 0 "[ . 1 . 2]" 1
424 1 66 LEU H 1 66 LEU MD1 . . 5.460 4.000 3.807 4.194 . 0 0 "[ . 1 . 2]" 1
425 1 66 LEU H 1 66 LEU HG . . 3.550 2.936 2.616 3.200 . 0 0 "[ . 1 . 2]" 1
426 1 66 LEU H 1 67 TRP HD1 . . 3.920 3.969 3.736 4.037 0.117 8 0 "[ . 1 . 2]" 1
427 1 66 LEU HA 1 66 LEU MD2 . . 4.500 2.027 1.930 2.114 . 0 0 "[ . 1 . 2]" 1
428 1 66 LEU HA 1 67 TRP H . . 3.080 2.141 2.093 2.194 . 0 0 "[ . 1 . 2]" 1
429 1 66 LEU HA 1 67 TRP HD1 . . 3.450 3.170 2.879 3.478 0.028 11 0 "[ . 1 . 2]" 1
430 1 66 LEU HB2 1 79 LEU MD1 . . 6.020 2.995 2.142 5.176 . 0 0 "[ . 1 . 2]" 1
431 1 66 LEU HB3 1 67 TRP H . . 4.170 3.452 3.149 3.654 . 0 0 "[ . 1 . 2]" 1
432 1 66 LEU HB3 1 79 LEU MD1 . . 6.520 2.519 1.678 4.637 . 0 0 "[ . 1 . 2]" 1
433 1 66 LEU MD1 1 79 LEU MD1 . . 7.540 2.963 2.058 4.883 . 0 0 "[ . 1 . 2]" 1
434 1 66 LEU MD2 1 67 TRP H . . 4.970 3.646 3.451 3.863 . 0 0 "[ . 1 . 2]" 1
435 1 67 TRP H 1 67 TRP HD1 . . 3.270 2.633 2.364 2.969 . 0 0 "[ . 1 . 2]" 1
436 1 67 TRP HA 1 68 VAL H . . 3.480 2.252 2.141 2.518 . 0 0 "[ . 1 . 2]" 1
437 1 67 TRP HA 1 78 ARG HA . . 3.610 2.306 1.602 2.805 . 0 0 "[ . 1 . 2]" 1
438 1 67 TRP HA 1 79 LEU H . . 3.830 3.061 2.497 3.673 . 0 0 "[ . 1 . 2]" 1
439 1 67 TRP HA 1 79 LEU HG . . 5.500 3.385 2.586 5.489 . 0 0 "[ . 1 . 2]" 1
440 1 67 TRP HE3 1 77 PHE HA . . 3.950 3.580 2.519 3.995 0.045 2 0 "[ . 1 . 2]" 1
441 1 67 TRP HE3 1 78 ARG H . . 3.890 3.366 2.795 4.005 0.115 19 0 "[ . 1 . 2]" 1
442 1 67 TRP HE3 1 85 LEU H . . 3.920 3.765 3.035 4.082 0.162 6 0 "[ . 1 . 2]" 1
443 1 67 TRP HE3 1 85 LEU HA . . 4.910 4.525 3.418 4.966 0.056 12 0 "[ . 1 . 2]" 1
444 1 67 TRP HH2 1 85 LEU QD . . 4.810 3.073 2.375 4.037 . 0 0 "[ . 1 . 2]" 1
445 1 67 TRP HZ2 1 85 LEU QD . . 4.970 3.725 2.968 5.437 0.467 1 0 "[ . 1 . 2]" 1
446 1 68 VAL H 1 68 VAL HB . . 4.170 2.966 2.639 3.662 . 0 0 "[ . 1 . 2]" 1
447 1 68 VAL H 1 68 VAL MG1 . . 4.500 2.120 1.976 2.651 . 0 0 "[ . 1 . 2]" 1
448 1 68 VAL H 1 79 LEU MD2 . . 5.930 3.364 2.452 3.874 . 0 0 "[ . 1 . 2]" 1
449 1 68 VAL HA 1 69 ALA H . . 3.170 2.169 2.108 2.297 . 0 0 "[ . 1 . 2]" 1
450 1 68 VAL HB 1 79 LEU MD2 . . 4.810 2.245 1.616 4.249 . 0 0 "[ . 1 . 2]" 1
451 1 68 VAL MG1 1 69 ALA H . . 5.740 3.882 3.597 4.086 . 0 0 "[ . 1 . 2]" 1
452 1 68 VAL MG1 1 77 PHE HB2 . . 5.470 2.226 1.748 4.484 . 0 0 "[ . 1 . 2]" 1
453 1 68 VAL MG1 1 77 PHE HB3 . . 6.490 3.460 2.986 5.139 . 0 0 "[ . 1 . 2]" 1
454 1 68 VAL MG1 1 79 LEU MD2 . . 7.070 2.273 1.831 2.715 . 0 0 "[ . 1 . 2]" 1
455 1 68 VAL MG2 1 69 ALA H . . 5.000 2.605 2.140 4.105 . 0 0 "[ . 1 . 2]" 1
456 1 69 ALA HA 1 70 SER H . . 3.210 2.140 2.111 2.164 . 0 0 "[ . 1 . 2]" 1
457 1 69 ALA HA 1 76 HIS HA . . 3.480 2.634 2.098 3.271 . 0 0 "[ . 1 . 2]" 1
458 1 69 ALA MB 1 70 SER H . . 5.060 3.272 2.989 3.476 . 0 0 "[ . 1 . 2]" 1
459 1 69 ALA MB 1 74 LYS HA . . 5.400 3.782 2.841 4.325 . 0 0 "[ . 1 . 2]" 1
460 1 69 ALA MB 1 76 HIS HA . . 6.520 3.726 3.175 4.364 . 0 0 "[ . 1 . 2]" 1
461 1 69 ALA MB 1 76 HIS HD2 . . 4.010 2.772 1.948 4.290 0.280 6 0 "[ . 1 . 2]" 1
462 1 70 SER H 1 74 LYS HA . . 4.540 3.734 3.010 4.551 0.011 18 0 "[ . 1 . 2]" 1
463 1 72 LEU H 1 72 LEU HB2 . . 3.480 2.459 2.088 2.626 . 0 0 "[ . 1 . 2]" 1
464 1 72 LEU H 1 72 LEU HB3 . . 4.170 3.563 2.517 3.710 . 0 0 "[ . 1 . 2]" 1
465 1 72 LEU H 1 72 LEU MD2 . . 5.030 3.498 2.402 4.298 . 0 0 "[ . 1 . 2]" 1
466 1 72 LEU H 1 72 LEU HG . . 4.970 3.017 2.318 4.480 . 0 0 "[ . 1 . 2]" 1
467 1 72 LEU H 1 73 LYS H . . 4.200 2.451 2.153 3.072 . 0 0 "[ . 1 . 2]" 1
468 1 72 LEU HA 1 72 LEU MD2 . . 4.070 2.259 1.929 3.881 . 0 0 "[ . 1 . 2]" 1
469 1 72 LEU HB2 1 73 LYS H . . 3.760 2.449 2.126 3.777 0.017 4 0 "[ . 1 . 2]" 1
470 1 72 LEU HB3 1 73 LYS H . . 3.450 3.236 2.178 3.495 0.045 18 0 "[ . 1 . 2]" 1
471 1 72 LEU MD1 1 73 LYS H . . 5.710 4.321 3.940 4.655 . 0 0 "[ . 1 . 2]" 1
472 1 73 LYS H 1 73 LYS HB2 . . 3.860 2.522 2.217 3.708 . 0 0 "[ . 1 . 2]" 1
473 1 73 LYS H 1 73 LYS HB3 . . 3.860 3.564 2.966 3.770 . 0 0 "[ . 1 . 2]" 1
474 1 73 LYS H 1 74 LYS H . . 3.790 2.443 2.225 3.948 0.158 6 0 "[ . 1 . 2]" 1
475 1 74 LYS H 1 75 GLN H . . 4.110 2.860 2.559 3.919 . 0 0 "[ . 1 . 2]" 1
476 1 74 LYS HA 1 74 LYS HD2 . . 5.220 4.298 2.229 4.848 . 0 0 "[ . 1 . 2]" 1
477 1 74 LYS HA 1 74 LYS HD3 . . 5.220 4.309 2.016 4.772 . 0 0 "[ . 1 . 2]" 1
478 1 76 HIS H 1 86 GLU H . . 4.690 3.978 2.754 4.886 0.196 1 0 "[ . 1 . 2]" 1
479 1 76 HIS HA 1 77 PHE H . . 3.110 2.163 2.113 2.228 . 0 0 "[ . 1 . 2]" 1
480 1 77 PHE H 1 77 PHE HB2 . . 3.890 2.630 2.311 3.751 . 0 0 "[ . 1 . 2]" 1
481 1 77 PHE HA 1 78 ARG H . . 3.420 2.253 2.118 3.396 . 0 0 "[ . 1 . 2]" 1
482 1 77 PHE HA 1 84 CYS HA . . 3.760 2.421 1.576 3.197 . 0 0 "[ . 1 . 2]" 1
483 1 77 PHE HB3 1 78 ARG H . . 4.630 3.353 2.440 3.883 . 0 0 "[ . 1 . 2]" 1
484 1 77 PHE HB3 1 92 VAL MG2 . . 6.360 3.608 2.545 4.712 . 0 0 "[ . 1 . 2]" 1
485 1 78 ARG H 1 78 ARG HB2 . . 4.070 2.629 2.343 3.301 . 0 0 "[ . 1 . 2]" 1
486 1 78 ARG H 1 78 ARG HB3 . . 4.070 2.766 2.321 3.649 . 0 0 "[ . 1 . 2]" 1
487 1 78 ARG HA 1 79 LEU H . . 3.390 2.150 2.107 2.263 . 0 0 "[ . 1 . 2]" 1
488 1 79 LEU H 1 79 LEU HG . . 4.790 2.342 2.037 3.987 . 0 0 "[ . 1 . 2]" 1
489 1 79 LEU HA 1 79 LEU MD2 . . 4.470 2.056 1.916 2.948 . 0 0 "[ . 1 . 2]" 1
490 1 80 TYR H 1 80 TYR HB3 . . 3.790 2.907 2.384 3.448 . 0 0 "[ . 1 . 2]" 1
491 1 80 TYR H 1 81 ASP H . . 4.010 2.547 1.952 3.744 . 0 0 "[ . 1 . 2]" 1
492 1 80 TYR HB2 1 81 ASP H . . 4.480 4.217 3.454 4.581 0.101 4 0 "[ . 1 . 2]" 1
493 1 81 ASP H 1 82 GLY H . . 3.170 2.440 1.866 2.835 . 0 0 "[ . 1 . 2]" 1
494 1 81 ASP H 1 83 PHE H . . 4.630 4.373 3.076 4.731 0.101 14 0 "[ . 1 . 2]" 1
495 1 81 ASP HA 1 94 ALA MB . . 4.880 3.406 1.753 4.908 0.028 4 0 "[ . 1 . 2]" 1
496 1 82 GLY H 1 83 PHE H . . 3.760 2.304 1.584 2.709 . 0 0 "[ . 1 . 2]" 1
497 1 83 PHE H 1 83 PHE HB2 . . 3.670 2.453 2.164 3.611 . 0 0 "[ . 1 . 2]" 1
498 1 83 PHE H 1 83 PHE HB3 . . 3.670 3.290 2.383 3.633 . 0 0 "[ . 1 . 2]" 1
499 1 83 PHE HA 1 84 CYS H . . 3.520 2.287 2.112 2.490 . 0 0 "[ . 1 . 2]" 1
500 1 84 CYS HA 1 85 LEU H . . 3.480 2.587 2.228 3.246 . 0 0 "[ . 1 . 2]" 1
501 1 85 LEU H 1 85 LEU HB2 . . 3.760 2.907 2.454 3.203 . 0 0 "[ . 1 . 2]" 1
502 1 85 LEU H 1 85 LEU HB3 . . 3.760 3.104 2.446 3.638 . 0 0 "[ . 1 . 2]" 1
503 1 85 LEU H 1 86 GLU H . . 4.230 3.403 2.260 4.224 . 0 0 "[ . 1 . 2]" 1
504 1 85 LEU QD 1 86 GLU H . . 6.520 3.379 2.933 4.324 . 0 0 "[ . 1 . 2]" 1
505 1 86 GLU H 1 87 ASP H . . 3.610 2.262 1.745 2.970 . 0 0 "[ . 1 . 2]" 1
506 1 87 ASP H 1 88 GLY H . . 4.630 4.218 2.925 4.526 . 0 0 "[ . 1 . 2]" 1
507 1 87 ASP HA 1 88 GLY H . . 3.210 2.502 2.116 2.953 . 0 0 "[ . 1 . 2]" 1
508 1 88 GLY H 1 89 ALA H . . 3.890 2.847 1.769 4.109 0.219 6 0 "[ . 1 . 2]" 1
509 1 88 GLY H 1 89 ALA MB . . 6.330 3.988 3.236 4.949 . 0 0 "[ . 1 . 2]" 1
510 1 89 ALA H 1 90 TYR H . . 3.580 2.530 2.025 3.010 . 0 0 "[ . 1 . 2]" 1
511 1 89 ALA MB 1 90 TYR H . . 5.120 2.641 1.831 3.394 . 0 0 "[ . 1 . 2]" 1
512 1 90 TYR H 1 90 TYR HB2 . . 3.890 2.597 2.333 3.198 . 0 0 "[ . 1 . 2]" 1
513 1 90 TYR H 1 90 TYR HB3 . . 3.890 3.645 3.013 3.889 . 0 0 "[ . 1 . 2]" 1
514 1 90 TYR H 1 91 SER H . . 3.670 2.994 2.094 3.840 0.170 16 0 "[ . 1 . 2]" 1
515 1 92 VAL H 1 92 VAL MG2 . . 4.220 2.017 1.908 2.103 . 0 0 "[ . 1 . 2]" 1
516 1 92 VAL HA 1 93 ALA H . . 3.080 2.450 2.170 2.710 . 0 0 "[ . 1 . 2]" 1
517 1 92 VAL HB 1 93 ALA H . . 3.300 2.310 1.809 3.073 . 0 0 "[ . 1 . 2]" 1
518 1 92 VAL HB 1 93 ALA MB . . 6.270 4.246 3.865 4.554 . 0 0 "[ . 1 . 2]" 1
519 1 92 VAL MG2 1 93 ALA H . . 5.060 3.288 2.858 3.842 . 0 0 "[ . 1 . 2]" 1
520 1 93 ALA HA 1 94 ALA H . . 2.870 2.339 2.122 2.640 . 0 0 "[ . 1 . 2]" 1
521 1 93 ALA MB 1 94 ALA H . . 5.000 2.616 2.029 3.389 . 0 0 "[ . 1 . 2]" 1
522 1 94 ALA H 1 95 TYR H . . 3.920 4.039 3.942 4.165 0.245 12 0 "[ . 1 . 2]" 1
523 1 94 ALA HA 1 95 TYR H . . 3.270 2.185 2.112 2.812 . 0 0 "[ . 1 . 2]" 1
524 1 94 ALA MB 1 95 TYR H . . 4.720 3.305 1.700 3.594 . 0 0 "[ . 1 . 2]" 1
525 1 95 TYR H 1 95 TYR HB2 . . 3.860 2.497 2.343 2.870 . 0 0 "[ . 1 . 2]" 1
526 1 95 TYR HA 1 96 ASP H . . 3.050 2.359 2.135 2.616 . 0 0 "[ . 1 . 2]" 1
527 1 95 TYR HB2 1 96 ASP H . . 4.510 3.732 3.148 4.191 . 0 0 "[ . 1 . 2]" 1
528 1 95 TYR HB2 1 106 ILE MD . . 6.520 5.067 3.371 6.021 . 0 0 "[ . 1 . 2]" 1
529 1 95 TYR HB2 1 106 ILE MG . . 6.020 3.774 2.183 4.800 . 0 0 "[ . 1 . 2]" 1
530 1 95 TYR HB3 1 96 ASP H . . 4.140 2.598 1.996 3.218 . 0 0 "[ . 1 . 2]" 1
531 1 95 TYR HB3 1 106 ILE MG . . 6.300 4.173 2.067 5.427 . 0 0 "[ . 1 . 2]" 1
532 1 96 ASP H 1 96 ASP HB2 . . 3.700 2.521 2.318 2.826 . 0 0 "[ . 1 . 2]" 1
533 1 96 ASP HA 1 97 THR H . . 2.960 2.230 2.122 2.456 . 0 0 "[ . 1 . 2]" 1
534 1 96 ASP HA 1 97 THR MG . . 5.340 4.089 3.413 5.391 0.051 14 0 "[ . 1 . 2]" 1
535 1 96 ASP HB2 1 97 THR H . . 4.480 4.121 3.802 4.423 . 0 0 "[ . 1 . 2]" 1
536 1 96 ASP HB3 1 97 THR H . . 3.920 3.518 2.518 4.014 0.094 20 0 "[ . 1 . 2]" 1
537 1 97 THR HA 1 98 GLN H . . 3.210 2.273 2.142 2.388 . 0 0 "[ . 1 . 2]" 1
538 1 97 THR HA 1 106 ILE H . . 4.510 4.646 4.587 4.745 0.235 10 0 "[ . 1 . 2]" 1
539 1 97 THR HA 1 106 ILE HA . . 3.670 2.127 1.840 2.431 . 0 0 "[ . 1 . 2]" 1
540 1 97 THR HA 1 106 ILE MG . . 6.520 3.038 2.618 3.568 . 0 0 "[ . 1 . 2]" 1
541 1 97 THR HA 1 107 SER H . . 4.570 3.551 2.982 3.982 . 0 0 "[ . 1 . 2]" 1
542 1 97 THR HB 1 98 GLN H . . 3.360 3.145 2.588 3.492 0.132 14 0 "[ . 1 . 2]" 1
543 1 97 THR MG 1 98 GLN H . . 5.740 3.266 1.928 4.088 . 0 0 "[ . 1 . 2]" 1
544 1 97 THR MG 1 106 ILE HA . . 5.710 2.808 2.461 3.268 . 0 0 "[ . 1 . 2]" 1
545 1 97 THR MG 1 106 ILE MD . . 7.480 4.205 2.372 4.983 . 0 0 "[ . 1 . 2]" 1
546 1 97 THR MG 1 106 ILE MG . . 6.890 1.740 1.260 3.777 . 0 0 "[ . 1 . 2]" 1
547 1 98 GLN H 1 105 GLN H . . 3.730 3.004 2.791 3.328 . 0 0 "[ . 1 . 2]" 1
548 1 98 GLN H 1 106 ILE HA . . 4.600 3.494 3.136 3.853 . 0 0 "[ . 1 . 2]" 1
549 1 98 GLN HA 1 99 VAL H . . 2.960 2.204 2.104 2.349 . 0 0 "[ . 1 . 2]" 1
550 1 98 GLN HB2 1 99 VAL H . . 3.890 3.162 2.575 4.026 0.136 16 0 "[ . 1 . 2]" 1
551 1 98 GLN HB3 1 99 VAL H . . 3.890 3.891 2.895 4.025 0.135 16 0 "[ . 1 . 2]" 1
552 1 99 VAL H 1 99 VAL HB . . 3.240 2.656 2.534 2.813 . 0 0 "[ . 1 . 2]" 1
553 1 99 VAL H 1 99 VAL MG2 . . 4.410 2.508 2.349 2.813 . 0 0 "[ . 1 . 2]" 1
554 1 99 VAL HA 1 100 THR H . . 2.830 2.209 2.151 2.448 . 0 0 "[ . 1 . 2]" 1
555 1 99 VAL HA 1 101 ASN H . . 4.690 4.067 3.218 4.779 0.089 2 0 "[ . 1 . 2]" 1
556 1 99 VAL HA 1 104 VAL HA . . 3.640 2.772 2.288 3.648 0.008 9 0 "[ . 1 . 2]" 1
557 1 99 VAL HA 1 105 GLN H . . 4.290 3.498 3.188 4.251 . 0 0 "[ . 1 . 2]" 1
558 1 99 VAL MG1 1 100 THR H . . 4.570 3.267 2.672 3.898 . 0 0 "[ . 1 . 2]" 1
559 1 99 VAL MG1 1 100 THR HA . . 6.460 4.138 3.656 4.473 . 0 0 "[ . 1 . 2]" 1
560 1 99 VAL MG1 1 102 GLY H . . 5.740 3.455 2.147 5.483 . 0 0 "[ . 1 . 2]" 1
561 1 99 VAL MG1 1 103 ASN H . . 5.160 3.682 2.807 4.706 . 0 0 "[ . 1 . 2]" 1
562 1 99 VAL MG2 1 104 VAL HA . . 5.310 3.103 2.257 4.509 . 0 0 "[ . 1 . 2]" 1
563 1 99 VAL MG2 1 105 GLN H . . 5.560 4.207 3.644 5.116 . 0 0 "[ . 1 . 2]" 1
564 1 100 THR H 1 100 THR HB . . 3.790 2.930 2.595 3.505 . 0 0 "[ . 1 . 2]" 1
565 1 100 THR H 1 104 VAL HA . . 4.290 4.000 3.122 4.435 0.145 18 0 "[ . 1 . 2]" 1
566 1 100 THR HA 1 101 ASN H . . 3.390 3.283 2.239 3.567 0.177 14 0 "[ . 1 . 2]" 1
567 1 100 THR MG 1 101 ASN H . . 6.520 2.817 1.330 4.163 . 0 0 "[ . 1 . 2]" 1
568 1 100 THR MG 1 101 ASN QD . . 6.330 3.600 1.705 5.870 . 0 0 "[ . 1 . 2]" 1
569 1 100 THR MG 1 103 ASN H . . 6.520 4.561 2.820 6.741 0.221 18 0 "[ . 1 . 2]" 1
570 1 101 ASN H 1 102 GLY H . . 4.140 3.179 2.204 4.261 0.121 3 0 "[ . 1 . 2]" 1
571 1 101 ASN HA 1 102 GLY H . . 3.450 2.952 2.202 3.550 0.100 2 0 "[ . 1 . 2]" 1
572 1 102 GLY H 1 103 ASN H . . 3.170 2.625 1.792 3.209 0.039 7 0 "[ . 1 . 2]" 1
573 1 103 ASN H 1 104 VAL H . . 4.570 4.476 4.343 4.592 0.022 6 0 "[ . 1 . 2]" 1
574 1 103 ASN HA 1 104 VAL H . . 3.080 2.290 2.143 2.419 . 0 0 "[ . 1 . 2]" 1
575 1 104 VAL H 1 104 VAL HB . . 3.330 2.579 2.466 2.671 . 0 0 "[ . 1 . 2]" 1
576 1 104 VAL HA 1 105 GLN H . . 3.050 2.158 2.120 2.203 . 0 0 "[ . 1 . 2]" 1
577 1 104 VAL MG1 1 105 GLN H . . 5.220 2.727 2.466 3.007 . 0 0 "[ . 1 . 2]" 1
578 1 104 VAL MG1 1 105 GLN HA . . 5.780 3.673 3.408 3.883 . 0 0 "[ . 1 . 2]" 1
579 1 105 GLN HA 1 106 ILE H . . 3.170 2.183 2.112 2.298 . 0 0 "[ . 1 . 2]" 1
580 1 106 ILE H 1 106 ILE HB . . 3.920 3.663 2.541 3.871 . 0 0 "[ . 1 . 2]" 1
581 1 106 ILE H 1 106 ILE HG12 . . 4.690 3.478 3.205 4.360 . 0 0 "[ . 1 . 2]" 1
582 1 106 ILE H 1 106 ILE HG13 . . 4.690 3.417 1.711 4.111 . 0 0 "[ . 1 . 2]" 1
583 1 106 ILE H 1 107 SER H . . 4.630 4.487 4.405 4.555 . 0 0 "[ . 1 . 2]" 1
584 1 106 ILE HA 1 107 SER H . . 3.170 2.300 2.196 2.438 . 0 0 "[ . 1 . 2]" 1
585 1 106 ILE HB 1 107 SER H . . 4.170 2.812 2.325 4.072 . 0 0 "[ . 1 . 2]" 1
586 1 106 ILE MG 1 107 SER H . . 5.000 3.710 2.382 4.051 . 0 0 "[ . 1 . 2]" 1
587 1 107 SER H 1 107 SER HB2 . . 4.070 2.690 2.481 3.621 . 0 0 "[ . 1 . 2]" 1
588 1 107 SER H 1 107 SER HB3 . . 4.070 2.820 2.450 3.683 . 0 0 "[ . 1 . 2]" 1
589 1 107 SER HA 1 108 ILE H . . 3.080 2.164 2.116 2.211 . 0 0 "[ . 1 . 2]" 1
590 1 108 ILE H 1 108 ILE HB . . 3.670 3.258 2.356 3.770 0.100 20 0 "[ . 1 . 2]" 1
591 1 108 ILE HA 1 109 ALA H . . 3.170 2.197 2.092 2.394 . 0 0 "[ . 1 . 2]" 1
592 1 108 ILE HB 1 109 ALA H . . 4.720 3.783 2.617 4.489 . 0 0 "[ . 1 . 2]" 1
593 1 108 ILE MD 1 109 ALA H . . 6.520 4.617 3.447 5.552 . 0 0 "[ . 1 . 2]" 1
594 1 108 ILE MG 1 109 ALA H . . 5.770 3.630 2.918 4.253 . 0 0 "[ . 1 . 2]" 1
595 1 109 ALA HA 1 110 ASP H . . 2.870 2.634 2.167 3.425 0.555 13 1 "[ . 1 + . 2]" 1
596 1 109 ALA MB 1 110 ASP H . . 4.500 3.164 2.206 3.588 . 0 0 "[ . 1 . 2]" 1
597 1 110 ASP H 1 110 ASP HB2 . . 3.920 3.255 2.288 3.717 . 0 0 "[ . 1 . 2]" 1
598 1 110 ASP H 1 110 ASP HB3 . . 3.920 2.981 2.333 3.684 . 0 0 "[ . 1 . 2]" 1
599 1 110 ASP HA 1 111 SER H . . 3.170 2.233 2.067 2.629 . 0 0 "[ . 1 . 2]" 1
600 1 110 ASP HB2 1 111 SER H . . 4.070 3.683 2.330 4.250 0.180 19 0 "[ . 1 . 2]" 1
601 1 110 ASP HB3 1 111 SER H . . 4.070 3.790 2.756 4.213 0.143 14 0 "[ . 1 . 2]" 1
602 1 111 SER H 1 111 SER HB2 . . 3.980 2.805 2.382 3.427 . 0 0 "[ . 1 . 2]" 1
603 1 111 SER H 1 111 SER HB3 . . 3.980 3.543 2.639 3.984 0.004 11 0 "[ . 1 . 2]" 1
604 1 111 SER H 1 112 ASP H . . 3.420 2.552 1.690 3.485 0.065 9 0 "[ . 1 . 2]" 1
605 1 111 SER HB2 1 112 ASP H . . 4.450 2.906 1.749 4.543 0.093 15 0 "[ . 1 . 2]" 1
606 1 111 SER HB3 1 112 ASP H . . 4.450 3.387 1.980 4.496 0.046 10 0 "[ . 1 . 2]" 1
607 1 112 ASP H 1 113 VAL H . . 3.980 3.670 1.994 4.194 0.214 9 0 "[ . 1 . 2]" 1
608 1 112 ASP HA 1 113 VAL H . . 3.240 2.318 2.072 3.394 0.154 10 0 "[ . 1 . 2]" 1
609 1 113 VAL H 1 113 VAL HB . . 3.360 2.915 2.589 3.569 0.209 7 0 "[ . 1 . 2]" 1
610 1 113 VAL HA 1 114 ALA H . . 2.960 2.180 2.093 2.549 . 0 0 "[ . 1 . 2]" 1
611 1 113 VAL HB 1 114 ALA H . . 4.040 4.050 3.130 4.292 0.252 4 0 "[ . 1 . 2]" 1
612 1 114 ALA HA 1 115 VAL H . . 2.990 2.293 2.112 2.675 . 0 0 "[ . 1 . 2]" 1
613 1 114 ALA MB 1 115 VAL H . . 5.370 3.015 2.042 3.627 . 0 0 "[ . 1 . 2]" 1
614 1 115 VAL H 1 115 VAL HB . . 3.670 3.148 2.553 3.734 0.064 4 0 "[ . 1 . 2]" 1
615 1 115 VAL HA 1 116 ASP H . . 2.930 2.199 2.075 2.433 . 0 0 "[ . 1 . 2]" 1
616 1 115 VAL HB 1 116 ASP H . . 4.140 3.755 2.259 4.459 0.319 7 0 "[ . 1 . 2]" 1
617 1 116 ASP HA 1 117 ASN H . . 3.240 2.420 2.110 3.010 . 0 0 "[ . 1 . 2]" 1
618 1 118 SER H 1 119 GLN H . . 3.580 3.018 2.039 3.747 0.167 14 0 "[ . 1 . 2]" 1
619 1 119 GLN HA 1 120 PRO HD2 . . 3.760 2.487 1.940 3.053 . 0 0 "[ . 1 . 2]" 1
620 1 119 GLN HA 1 120 PRO HD3 . . 3.760 2.064 1.728 2.784 . 0 0 "[ . 1 . 2]" 1
621 1 120 PRO HA 1 121 LEU H . . 3.020 2.285 2.130 2.581 . 0 0 "[ . 1 . 2]" 1
622 1 121 LEU H 1 121 LEU HG . . 4.940 3.059 2.236 4.572 . 0 0 "[ . 1 . 2]" 1
623 1 121 LEU HA 1 122 PRO HD2 . . 3.360 2.487 2.007 2.905 . 0 0 "[ . 1 . 2]" 1
624 1 121 LEU HA 1 122 PRO HD3 . . 3.360 2.120 1.747 2.730 . 0 0 "[ . 1 . 2]" 1
625 1 122 PRO HA 1 123 LEU H . . 2.990 2.346 2.128 3.086 0.096 6 0 "[ . 1 . 2]" 1
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