NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398763 |
1tq1   |
6240 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tq1
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 1061
_Distance_constraint_stats_list.Viol_count 584
_Distance_constraint_stats_list.Viol_total 652.021
_Distance_constraint_stats_list.Viol_max 1.194
_Distance_constraint_stats_list.Viol_rms 0.0968
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0246
_Distance_constraint_stats_list.Viol_average_violations_only 0.2233
_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 11 ALA 0.853 0.647 5 1 "[ +]"
1 12 GLU 1.307 0.647 5 1 "[ +]"
1 13 GLU 2.229 0.383 3 0 "[ .]"
1 14 SER 0.354 0.180 5 0 "[ .]"
1 15 ARG 0.652 0.292 2 0 "[ .]"
1 16 VAL 1.149 0.573 5 1 "[ +]"
1 17 PRO 0.000 0.000 . 0 "[ .]"
1 18 SER 0.103 0.103 5 0 "[ .]"
1 19 SER 0.763 0.221 4 0 "[ .]"
1 20 VAL 0.000 0.000 . 0 "[ .]"
1 21 SER 2.645 0.716 1 4 [+**-.]
1 22 VAL 1.429 0.240 5 0 "[ .]"
1 23 THR 3.107 0.447 5 0 "[ .]"
1 24 VAL 4.297 0.447 5 0 "[ .]"
1 25 ALA 0.000 0.000 . 0 "[ .]"
1 26 HIS 0.672 0.155 5 0 "[ .]"
1 27 ASP 0.406 0.331 4 0 "[ .]"
1 30 LEU 1.815 0.713 5 2 "[ -+]"
1 31 ALA 0.132 0.132 5 0 "[ .]"
1 32 GLY 0.000 0.000 . 0 "[ .]"
1 34 ARG 0.000 0.000 . 0 "[ .]"
1 35 TYR 0.000 0.000 . 0 "[ .]"
1 36 LEU 11.545 0.528 4 1 "[ +.]"
1 37 ASP 2.253 0.402 4 0 "[ .]"
1 38 VAL 4.177 0.489 5 0 "[ .]"
1 39 ARG 1.981 0.489 5 0 "[ .]"
1 40 THR 1.867 0.419 2 0 "[ .]"
1 42 GLU 1.635 0.419 2 0 "[ .]"
1 43 GLU 0.000 0.000 . 0 "[ .]"
1 44 PHE 1.961 0.438 1 0 "[ .]"
1 45 SER 2.286 0.438 1 0 "[ .]"
1 46 GLN 0.896 0.247 2 0 "[ .]"
1 47 GLY 0.591 0.206 2 0 "[ .]"
1 48 HIS 5.201 1.094 3 4 "[**+ -]"
1 49 ALA 4.146 0.705 3 3 "[-*+ .]"
1 50 CYS 9.981 1.194 3 4 "[**+ *]"
1 51 GLY 3.069 0.926 4 1 "[ +.]"
1 52 ALA 0.918 0.463 4 0 "[ .]"
1 53 ILE 1.509 0.282 1 0 "[ .]"
1 54 ASN 0.645 0.278 3 0 "[ .]"
1 55 VAL 4.560 0.690 1 1 "[+ .]"
1 56 PRO 2.251 0.690 1 1 "[+ .]"
1 57 TYR 2.860 0.500 5 0 "[ .]"
1 58 MET 3.201 0.752 1 1 "[+ .]"
1 59 ASN 1.208 0.355 2 0 "[ .]"
1 60 ARG 3.290 0.448 4 0 "[ .]"
1 61 GLY 2.389 0.575 3 3 "[ *+-.]"
1 62 ALA 1.582 0.448 4 0 "[ .]"
1 63 SER 1.994 0.575 3 3 "[ *+-.]"
1 64 GLY 0.000 0.000 . 0 "[ .]"
1 65 MET 1.089 0.267 2 0 "[ .]"
1 66 SER 2.002 0.267 2 0 "[ .]"
1 67 LYS 2.844 0.588 1 1 "[+ .]"
1 68 ASN 2.622 0.752 1 1 "[+ .]"
1 69 THR 0.854 0.315 2 0 "[ .]"
1 70 ASP 0.864 0.315 2 0 "[ .]"
1 71 PHE 1.964 0.257 4 0 "[ .]"
1 72 LEU 4.523 0.357 4 0 "[ .]"
1 73 GLU 2.289 0.556 2 1 "[ + .]"
1 74 GLN 4.890 0.556 2 1 "[ + .]"
1 75 VAL 3.458 0.506 4 1 "[ +.]"
1 76 SER 1.380 0.301 2 0 "[ .]"
1 77 SER 0.358 0.136 3 0 "[ .]"
1 78 HIS 0.060 0.060 3 0 "[ .]"
1 79 PHE 1.641 0.506 4 1 "[ +.]"
1 80 GLY 5.824 0.889 4 5 [**-+*]
1 81 GLN 4.521 0.612 3 1 "[ + .]"
1 82 SER 3.963 0.889 4 5 [**-+*]
1 83 ASP 4.665 0.612 3 1 "[ + .]"
1 84 ASN 0.000 0.000 . 0 "[ .]"
1 85 ILE 7.750 0.682 3 4 "[- +**]"
1 86 ILE 2.748 0.236 1 0 "[ .]"
1 87 VAL 2.423 0.528 4 1 "[ +.]"
1 88 GLY 2.287 0.372 4 0 "[ .]"
1 89 CYS 0.000 0.000 . 0 "[ .]"
1 91 SER 0.881 0.189 1 0 "[ .]"
1 92 GLY 1.291 0.189 1 0 "[ .]"
1 93 GLY 0.365 0.140 2 0 "[ .]"
1 94 ARG 0.257 0.128 4 0 "[ .]"
1 95 SER 0.125 0.075 5 0 "[ .]"
1 96 ILE 2.415 0.364 4 0 "[ .]"
1 97 LYS 2.234 0.605 5 1 "[ +]"
1 98 ALA 2.321 0.605 5 1 "[ +]"
1 99 THR 0.612 0.139 4 0 "[ .]"
1 102 LEU 2.897 0.430 1 0 "[ .]"
1 103 LEU 3.101 0.709 3 1 "[ + .]"
1 104 HIS 0.000 0.000 . 0 "[ .]"
1 105 ALA 0.005 0.005 4 0 "[ .]"
1 106 GLY 0.313 0.184 1 0 "[ .]"
1 107 PHE 2.451 0.400 4 0 "[ .]"
1 108 THR 4.356 0.530 1 1 "[+ .]"
1 109 GLY 2.852 0.530 1 1 "[+ .]"
1 110 VAL 4.078 0.682 3 4 "[- +**]"
1 111 LYS 1.261 0.236 1 0 "[ .]"
1 112 ASP 3.648 0.738 5 5 [-***+]
1 113 ILE 8.116 0.738 5 5 [***-+]
1 114 VAL 2.043 0.372 4 0 "[ .]"
1 115 GLY 0.716 0.290 2 0 "[ .]"
1 116 GLY 1.007 0.223 2 0 "[ .]"
1 117 TYR 0.359 0.129 4 0 "[ .]"
1 118 SER 0.283 0.103 2 0 "[ .]"
1 119 ALA 1.374 0.290 2 0 "[ .]"
1 120 TRP 0.238 0.105 5 0 "[ .]"
1 121 ALA 0.170 0.116 5 0 "[ .]"
1 122 LYS 0.575 0.246 3 0 "[ .]"
1 123 ASN 0.705 0.333 5 0 "[ .]"
1 124 GLY 3.808 0.912 2 3 "[-+ *]"
1 125 LEU 6.610 0.912 2 3 "[-+ *]"
1 126 PRO 2.399 0.472 5 0 "[ .]"
1 127 THR 6.652 0.926 4 4 [-**+.]
1 128 LYS 13.825 1.194 3 4 "[**+ -]"
1 129 ALA 0.224 0.101 2 0 "[ .]"
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 11 ALA H 1 11 ALA HA 2.800 . 3.900 2.667 2.345 2.942 . 0 0 "[ .]" 1
2 1 11 ALA H 1 11 ALA MB 3.100 . 3.400 2.526 2.215 3.032 . 0 0 "[ .]" 1
3 1 11 ALA HA 1 11 ALA MB 2.200 . 3.100 2.232 2.188 2.288 . 0 0 "[ .]" 1
4 1 11 ALA HA 1 12 GLU H 2.300 . 2.800 2.790 2.323 3.447 0.647 5 1 "[ +]" 1
5 1 11 ALA MB 1 12 GLU H 3.000 . 4.200 3.353 2.019 3.757 . 0 0 "[ .]" 1
6 1 12 GLU H 1 12 GLU QB 2.400 . 3.400 2.726 2.435 3.405 0.005 5 0 "[ .]" 1
7 1 12 GLU H 1 12 GLU QG 3.200 . 4.500 2.687 2.381 2.996 . 0 0 "[ .]" 1
8 1 12 GLU H 1 13 GLU QG 2.800 . 3.900 3.595 3.385 3.920 0.020 1 0 "[ .]" 1
9 1 12 GLU HA 1 13 GLU H 2.100 . 2.900 2.762 2.208 3.142 0.242 4 0 "[ .]" 1
10 1 13 GLU H 1 13 GLU HA 1.900 . 2.600 2.918 2.821 2.983 0.383 3 0 "[ .]" 1
11 1 13 GLU H 1 13 GLU QB 2.100 . 2.900 2.764 2.530 3.074 0.174 3 0 "[ .]" 1
12 1 13 GLU H 1 13 GLU QG 2.700 . 3.800 2.203 1.665 3.147 . 0 0 "[ .]" 1
13 1 13 GLU HA 1 13 GLU QB 2.100 . 3.000 2.300 2.190 2.389 . 0 0 "[ .]" 1
14 1 13 GLU HA 1 13 GLU QG 2.400 . 3.400 2.977 2.343 3.414 0.014 5 0 "[ .]" 1
15 1 13 GLU HA 1 14 SER H 2.300 . 3.000 2.637 2.170 2.967 . 0 0 "[ .]" 1
16 1 13 GLU QG 1 14 SER H 4.000 . 5.600 4.082 3.724 4.485 . 0 0 "[ .]" 1
17 1 14 SER H 1 14 SER QB 2.700 . 3.500 2.822 2.501 3.149 . 0 0 "[ .]" 1
18 1 14 SER H 1 15 ARG QB 3.900 . 5.500 4.880 3.485 5.680 0.180 5 0 "[ .]" 1
19 1 14 SER HA 1 14 SER QB 2.100 . 2.900 2.306 2.182 2.500 . 0 0 "[ .]" 1
20 1 14 SER HA 1 15 ARG H 2.300 . 3.100 2.530 2.220 3.254 0.154 1 0 "[ .]" 1
21 1 14 SER QB 1 15 ARG H 3.800 . 5.300 3.253 2.603 3.839 . 0 0 "[ .]" 1
22 1 15 ARG H 1 15 ARG QB 2.500 . 3.500 2.781 2.364 3.320 . 0 0 "[ .]" 1
23 1 15 ARG H 1 16 VAL HB 4.500 2.700 6.300 5.471 4.776 6.045 . 0 0 "[ .]" 1
24 1 15 ARG HA 1 15 ARG QB 2.400 . 3.300 2.381 2.187 2.524 . 0 0 "[ .]" 1
25 1 15 ARG HA 1 15 ARG QD 3.800 . 5.300 3.645 2.293 4.245 . 0 0 "[ .]" 1
26 1 15 ARG HA 1 15 ARG QG 2.600 . 3.700 2.444 2.095 3.260 . 0 0 "[ .]" 1
27 1 15 ARG HA 1 16 VAL H 2.000 . 2.500 2.204 2.097 2.506 0.006 2 0 "[ .]" 1
28 1 15 ARG QB 1 15 ARG QD 3.100 . 4.300 2.156 2.115 2.296 . 0 0 "[ .]" 1
29 1 15 ARG QB 1 16 VAL H 4.100 . 4.100 3.621 3.233 3.990 . 0 0 "[ .]" 1
30 1 15 ARG QB 1 16 VAL HA 3.100 . 4.300 4.253 4.102 4.592 0.292 2 0 "[ .]" 1
31 1 16 VAL H 1 16 VAL HB 2.900 . 3.300 3.302 2.907 3.873 0.573 5 1 "[ +]" 1
32 1 16 VAL H 1 16 VAL MG2 2.200 . 3.100 2.519 2.166 2.928 . 0 0 "[ .]" 1
33 1 16 VAL HA 1 16 VAL HB 2.700 . 3.800 2.817 2.325 3.024 . 0 0 "[ .]" 1
34 1 16 VAL HA 1 16 VAL MG2 2.300 . 3.200 2.912 2.561 3.259 0.059 5 0 "[ .]" 1
35 1 16 VAL HA 1 108 THR MG 4.400 . 6.200 3.453 2.071 5.164 . 0 0 "[ .]" 1
36 1 16 VAL HB 1 16 VAL MG1 2.100 . 2.900 2.220 2.204 2.277 . 0 0 "[ .]" 1
37 1 17 PRO HA 1 18 SER H 2.100 . 2.700 2.224 2.118 2.357 . 0 0 "[ .]" 1
38 1 17 PRO HA 1 18 SER QB 3.900 . 5.500 4.129 3.922 4.343 . 0 0 "[ .]" 1
39 1 17 PRO HA 1 110 VAL QG 3.200 . 4.500 3.650 3.362 3.839 . 0 0 "[ .]" 1
40 1 17 PRO QB 1 18 SER H 4.000 . 5.300 3.251 2.686 3.888 . 0 0 "[ .]" 1
41 1 17 PRO QB 1 110 VAL QG 3.300 . 4.600 3.885 3.550 4.227 . 0 0 "[ .]" 1
42 1 18 SER H 1 18 SER HA 3.000 . 4.200 2.958 2.919 2.987 . 0 0 "[ .]" 1
43 1 18 SER H 1 18 SER QB 2.500 . 3.200 2.720 2.315 3.008 . 0 0 "[ .]" 1
44 1 18 SER H 1 19 SER H 3.200 . 4.500 4.399 4.308 4.603 0.103 5 0 "[ .]" 1
45 1 18 SER HA 1 18 SER QB 2.300 . 3.200 2.361 2.189 2.447 . 0 0 "[ .]" 1
46 1 18 SER HA 1 19 SER H 2.100 . 2.700 2.220 2.163 2.253 . 0 0 "[ .]" 1
47 1 18 SER HA 1 19 SER HA 4.400 2.600 6.200 4.431 4.419 4.454 . 0 0 "[ .]" 1
48 1 18 SER QB 1 19 SER H 2.600 . 3.700 3.341 2.750 3.607 . 0 0 "[ .]" 1
49 1 18 SER QB 1 111 LYS QB 3.800 . 5.300 3.523 2.969 4.370 . 0 0 "[ .]" 1
50 1 18 SER QB 1 111 LYS QE 3.700 . 5.200 3.919 3.410 4.542 . 0 0 "[ .]" 1
51 1 18 SER QB 1 112 ASP H 4.400 . 6.200 3.803 3.473 4.341 . 0 0 "[ .]" 1
52 1 19 SER H 1 19 SER QB 3.700 . 3.900 2.619 2.306 2.799 . 0 0 "[ .]" 1
53 1 19 SER H 1 20 VAL H 4.300 2.600 6.000 4.506 4.463 4.541 . 0 0 "[ .]" 1
54 1 19 SER HA 1 20 VAL H 2.500 . 3.100 2.186 2.154 2.233 . 0 0 "[ .]" 1
55 1 19 SER HA 1 20 VAL QG 4.300 . 4.800 2.910 2.835 2.966 . 0 0 "[ .]" 1
56 1 19 SER HA 1 111 LYS QB 4.600 . 6.400 4.716 4.314 4.934 . 0 0 "[ .]" 1
57 1 19 SER HA 1 112 ASP H 3.100 . 4.000 2.771 2.423 3.020 . 0 0 "[ .]" 1
58 1 19 SER HA 1 112 ASP QB 2.900 . 4.100 2.174 2.083 2.242 . 0 0 "[ .]" 1
59 1 19 SER QB 1 20 VAL H 4.100 . 4.800 2.997 2.737 3.549 . 0 0 "[ .]" 1
60 1 19 SER QB 1 96 ILE MG 2.900 . 4.000 4.132 4.071 4.221 0.221 4 0 "[ .]" 1
61 1 19 SER QB 1 112 ASP QB 4.200 . 5.900 3.227 2.885 3.524 . 0 0 "[ .]" 1
62 1 20 VAL H 1 20 VAL QG 3.200 . 3.300 2.333 2.256 2.410 . 0 0 "[ .]" 1
63 1 20 VAL H 1 111 LYS QB 4.500 . 6.300 4.794 4.509 5.035 . 0 0 "[ .]" 1
64 1 20 VAL H 1 112 ASP H 4.500 2.700 6.300 3.774 3.568 4.187 . 0 0 "[ .]" 1
65 1 20 VAL H 1 112 ASP QB 4.200 . 5.900 3.272 3.058 3.571 . 0 0 "[ .]" 1
66 1 20 VAL H 1 113 ILE HA 4.000 2.400 5.000 3.140 2.881 3.533 . 0 0 "[ .]" 1
67 1 20 VAL H 1 114 VAL H 3.700 2.200 5.200 4.031 3.279 4.465 . 0 0 "[ .]" 1
68 1 20 VAL HA 1 20 VAL HB 2.700 . 3.800 2.261 2.231 2.314 . 0 0 "[ .]" 1
69 1 20 VAL HA 1 21 SER H 2.400 . 2.900 2.530 2.365 2.606 . 0 0 "[ .]" 1
70 1 20 VAL HA 1 114 VAL QG 4.300 . 6.000 4.990 4.693 5.245 . 0 0 "[ .]" 1
71 1 20 VAL HB 1 21 SER H 3.200 . 4.500 3.261 2.922 3.686 . 0 0 "[ .]" 1
72 1 20 VAL HB 1 113 ILE MG 3.900 . 5.400 5.173 4.946 5.384 . 0 0 "[ .]" 1
73 1 20 VAL QG 1 21 SER H . . 3.700 1.779 1.674 1.835 . 0 0 "[ .]" 1
74 1 20 VAL QG 1 22 VAL H 3.800 . 5.300 4.156 4.072 4.313 . 0 0 "[ .]" 1
75 1 20 VAL QG 1 22 VAL HA 2.900 . 4.100 3.854 3.748 3.952 . 0 0 "[ .]" 1
76 1 20 VAL QG 1 25 ALA H 2.900 . 4.100 2.599 2.382 2.824 . 0 0 "[ .]" 1
77 1 20 VAL QG 1 25 ALA HA 3.300 . 4.600 3.307 3.083 3.681 . 0 0 "[ .]" 1
78 1 20 VAL QG 1 112 ASP H 3.600 . 5.000 2.505 2.238 3.056 . 0 0 "[ .]" 1
79 1 20 VAL QG 1 113 ILE HA 3.500 . 4.900 2.185 2.039 2.553 . 0 0 "[ .]" 1
80 1 20 VAL QG 1 113 ILE HB 3.100 . 4.300 3.901 3.682 4.219 . 0 0 "[ .]" 1
81 1 20 VAL QG 1 113 ILE MD 4.300 . 6.000 2.208 1.634 3.051 . 0 0 "[ .]" 1
82 1 20 VAL QG 1 113 ILE QG 3.300 . 4.600 2.244 1.805 3.282 . 0 0 "[ .]" 1
83 1 20 VAL QG 1 114 VAL H 4.300 . 6.000 3.350 3.079 3.592 . 0 0 "[ .]" 1
84 1 20 VAL QG 1 114 VAL HA 4.200 . 5.900 5.426 5.282 5.716 . 0 0 "[ .]" 1
85 1 21 SER H 1 21 SER HA 3.000 . 4.200 3.009 3.005 3.011 . 0 0 "[ .]" 1
86 1 21 SER H 1 21 SER QB 3.200 . 3.800 2.558 2.327 3.010 . 0 0 "[ .]" 1
87 1 21 SER H 1 24 VAL MG2 3.100 . 4.300 2.082 1.622 2.478 . 0 0 "[ .]" 1
88 1 21 SER H 1 113 ILE HA 2.900 . 4.000 4.499 4.205 4.716 0.716 1 4 [+**-.] 1
89 1 21 SER H 1 114 VAL QG 3.700 . 5.200 5.090 5.046 5.156 . 0 0 "[ .]" 1
90 1 21 SER HA 1 22 VAL H 2.600 . 3.500 2.278 2.215 2.378 . 0 0 "[ .]" 1
91 1 21 SER HA 1 114 VAL H 3.900 2.300 5.500 2.341 2.174 2.456 0.126 3 0 "[ .]" 1
92 1 21 SER HA 1 114 VAL HB 2.800 . 3.900 2.415 2.294 2.767 . 0 0 "[ .]" 1
93 1 21 SER HA 1 114 VAL QG 2.900 . 4.000 3.371 3.203 3.719 . 0 0 "[ .]" 1
94 1 21 SER QB 1 22 VAL H 3.900 . 5.500 2.631 2.423 2.772 . 0 0 "[ .]" 1
95 1 21 SER QB 1 22 VAL MG1 3.800 . 5.300 3.601 3.170 4.960 . 0 0 "[ .]" 1
96 1 21 SER QB 1 114 VAL QG 4.000 . 5.600 4.122 3.509 4.775 . 0 0 "[ .]" 1
97 1 22 VAL H 1 22 VAL HB 4.100 . 4.600 2.316 2.278 2.386 . 0 0 "[ .]" 1
98 1 22 VAL H 1 22 VAL MG1 2.700 . 3.800 2.754 2.363 3.810 0.010 5 0 "[ .]" 1
99 1 22 VAL H 1 22 VAL MG2 2.900 . 3.600 3.515 2.380 3.804 0.204 2 0 "[ .]" 1
100 1 22 VAL H 1 23 THR H 2.800 . 3.900 2.720 2.576 2.777 . 0 0 "[ .]" 1
101 1 22 VAL H 1 23 THR HA 4.400 2.600 6.200 5.349 5.213 5.409 . 0 0 "[ .]" 1
102 1 22 VAL H 1 114 VAL HB 4.200 2.500 5.500 3.398 2.848 4.505 . 0 0 "[ .]" 1
103 1 22 VAL HA 1 22 VAL HB 2.700 . 3.800 2.664 2.529 3.061 . 0 0 "[ .]" 1
104 1 22 VAL HA 1 22 VAL MG1 3.000 . 4.200 3.188 2.604 3.343 . 0 0 "[ .]" 1
105 1 22 VAL HA 1 22 VAL MG2 2.600 . 3.600 2.437 2.339 2.526 . 0 0 "[ .]" 1
106 1 22 VAL HA 1 23 THR H 3.600 2.100 5.100 3.466 3.424 3.491 . 0 0 "[ .]" 1
107 1 22 VAL HA 1 25 ALA H 3.100 . 4.300 3.345 3.212 3.457 . 0 0 "[ .]" 1
108 1 22 VAL HA 1 25 ALA MB 2.600 . 3.600 2.129 2.007 2.375 . 0 0 "[ .]" 1
109 1 22 VAL HA 1 113 ILE MD 4.700 . 6.600 3.778 3.550 4.250 . 0 0 "[ .]" 1
110 1 22 VAL HA 1 113 ILE QG 4.200 . 5.900 4.826 4.173 5.427 . 0 0 "[ .]" 1
111 1 22 VAL HA 1 119 ALA MB 4.400 . 6.200 4.772 4.016 5.662 . 0 0 "[ .]" 1
112 1 22 VAL HB 1 23 THR H 3.600 2.200 4.800 3.730 2.897 4.028 . 0 0 "[ .]" 1
113 1 22 VAL HB 1 23 THR MG 4.000 . 5.600 4.695 4.520 5.127 . 0 0 "[ .]" 1
114 1 22 VAL HB 1 25 ALA MB 3.600 . 5.000 4.283 4.140 4.503 . 0 0 "[ .]" 1
115 1 22 VAL MG1 1 22 VAL MG2 2.100 . 2.900 2.160 2.099 2.246 . 0 0 "[ .]" 1
116 1 22 VAL MG1 1 23 THR H 2.700 . 3.800 2.650 2.299 3.609 . 0 0 "[ .]" 1
117 1 22 VAL MG1 1 119 ALA H 4.200 . 5.900 5.062 4.715 5.273 . 0 0 "[ .]" 1
118 1 22 VAL MG2 1 23 THR H 2.800 . 3.900 3.995 3.904 4.140 0.240 5 0 "[ .]" 1
119 1 22 VAL MG2 1 25 ALA MB 3.300 . 4.600 3.194 2.877 3.498 . 0 0 "[ .]" 1
120 1 22 VAL MG2 1 119 ALA H 3.800 . 5.300 4.046 3.446 4.409 . 0 0 "[ .]" 1
121 1 22 VAL MG2 1 120 TRP H 3.200 . 4.500 4.378 4.201 4.605 0.105 5 0 "[ .]" 1
122 1 23 THR H 1 23 THR HA 2.900 . 3.800 2.857 2.835 2.879 . 0 0 "[ .]" 1
123 1 23 THR H 1 23 THR HB 3.000 . 3.500 3.200 2.609 3.526 0.026 1 0 "[ .]" 1
124 1 23 THR H 1 23 THR MG 3.000 . 3.700 1.899 1.753 2.209 . 0 0 "[ .]" 1
125 1 23 THR H 1 24 VAL H 2.300 . 3.200 2.851 2.802 2.922 . 0 0 "[ .]" 1
126 1 23 THR H 1 24 VAL MG2 . . 3.400 3.725 3.525 3.847 0.447 5 0 "[ .]" 1
127 1 23 THR H 1 25 ALA H 4.300 2.600 6.000 3.906 3.817 4.077 . 0 0 "[ .]" 1
128 1 23 THR H 1 25 ALA MB 4.600 . 6.400 4.356 4.136 4.447 . 0 0 "[ .]" 1
129 1 23 THR HA 1 23 THR HB 2.600 . 3.600 2.352 2.292 2.487 . 0 0 "[ .]" 1
130 1 23 THR HA 1 23 THR MG 2.500 . 3.500 3.054 2.854 3.322 . 0 0 "[ .]" 1
131 1 23 THR HA 1 25 ALA MB 4.400 . 6.200 4.907 4.563 5.316 . 0 0 "[ .]" 1
132 1 23 THR HA 1 26 HIS H 3.300 . 4.600 3.679 3.608 3.739 . 0 0 "[ .]" 1
133 1 23 THR HA 1 26 HIS QB 4.200 . 5.300 3.151 2.950 3.322 . 0 0 "[ .]" 1
134 1 23 THR HB 1 23 THR MG 2.400 . 3.300 2.210 2.202 2.220 . 0 0 "[ .]" 1
135 1 23 THR HB 1 24 VAL H 3.400 2.100 4.500 3.820 3.790 3.861 . 0 0 "[ .]" 1
136 1 23 THR HB 1 24 VAL MG2 3.300 . 4.600 4.391 4.214 4.582 . 0 0 "[ .]" 1
137 1 23 THR MG 1 24 VAL H 3.900 . 5.300 2.551 1.640 3.221 . 0 0 "[ .]" 1
138 1 23 THR MG 1 24 VAL MG2 2.100 . 2.900 2.705 1.866 3.340 0.440 1 0 "[ .]" 1
139 1 23 THR MG 1 25 ALA H 4.700 . 6.600 4.391 3.684 4.864 . 0 0 "[ .]" 1
140 1 24 VAL H 1 24 VAL HA 2.900 . 4.100 2.902 2.876 2.921 . 0 0 "[ .]" 1
141 1 24 VAL H 1 24 VAL HB 3.000 . 3.400 3.067 2.913 3.218 . 0 0 "[ .]" 1
142 1 24 VAL H 1 24 VAL MG1 3.400 . 4.800 3.682 3.539 3.814 . 0 0 "[ .]" 1
143 1 24 VAL H 1 24 VAL MG2 2.400 . 3.300 1.698 1.607 1.828 . 0 0 "[ .]" 1
144 1 24 VAL H 1 25 ALA H 2.600 . 3.700 2.575 2.533 2.642 . 0 0 "[ .]" 1
145 1 24 VAL H 1 25 ALA MB 4.700 . 6.600 4.230 4.122 4.333 . 0 0 "[ .]" 1
146 1 24 VAL H 1 26 HIS H 3.600 2.200 5.000 4.096 3.948 4.203 . 0 0 "[ .]" 1
147 1 24 VAL HA 1 24 VAL MG2 2.200 . 3.100 2.927 2.803 3.035 . 0 0 "[ .]" 1
148 1 24 VAL HA 1 25 ALA H 3.700 2.200 5.200 3.512 3.503 3.524 . 0 0 "[ .]" 1
149 1 24 VAL HA 1 27 ASP H 2.900 . 4.100 3.193 3.074 3.395 . 0 0 "[ .]" 1
150 1 24 VAL HB 1 24 VAL MG1 2.300 . 3.200 2.229 2.197 2.255 . 0 0 "[ .]" 1
151 1 24 VAL HB 1 24 VAL MG2 2.300 . 3.200 2.283 2.217 2.305 . 0 0 "[ .]" 1
152 1 24 VAL HB 1 25 ALA H 3.600 2.200 3.800 2.780 2.631 2.914 . 0 0 "[ .]" 1
153 1 24 VAL HB 1 26 HIS H 3.600 2.100 4.900 4.924 4.859 4.968 0.068 2 0 "[ .]" 1
154 1 24 VAL MG1 1 24 VAL MG2 1.800 . 2.500 2.096 2.041 2.172 . 0 0 "[ .]" 1
155 1 24 VAL MG1 1 25 ALA H 3.600 . 5.000 4.154 4.011 4.259 . 0 0 "[ .]" 1
156 1 24 VAL MG1 1 113 ILE MD 3.700 . 5.200 5.384 5.099 5.638 0.438 4 0 "[ .]" 1
157 1 24 VAL MG2 1 25 ALA H 3.600 . 5.100 3.246 2.970 3.471 . 0 0 "[ .]" 1
158 1 24 VAL MG2 1 25 ALA MB 4.000 . 5.600 4.483 4.241 4.697 . 0 0 "[ .]" 1
159 1 24 VAL MG2 1 26 HIS H 3.500 . 4.900 4.997 4.936 5.055 0.155 5 0 "[ .]" 1
160 1 25 ALA H 1 25 ALA MB 2.800 . 3.200 2.205 2.138 2.302 . 0 0 "[ .]" 1
161 1 25 ALA H 1 26 HIS H 3.000 . 4.200 2.713 2.646 2.750 . 0 0 "[ .]" 1
162 1 25 ALA H 1 26 HIS HA 4.600 2.700 6.500 5.372 5.305 5.410 . 0 0 "[ .]" 1
163 1 25 ALA HA 1 25 ALA MB 2.300 . 3.200 2.279 2.258 2.300 . 0 0 "[ .]" 1
164 1 25 ALA MB 1 26 HIS H 3.500 . 4.900 2.794 2.731 2.893 . 0 0 "[ .]" 1
165 1 25 ALA MB 1 26 HIS HA 4.300 . 6.000 3.875 3.792 3.980 . 0 0 "[ .]" 1
166 1 25 ALA MB 1 27 ASP H 3.900 . 4.900 4.706 4.648 4.736 . 0 0 "[ .]" 1
167 1 26 HIS H 1 26 HIS QB 3.400 . 3.400 2.263 2.262 2.267 . 0 0 "[ .]" 1
168 1 26 HIS H 1 27 ASP H 2.700 . 3.800 2.755 2.726 2.807 . 0 0 "[ .]" 1
169 1 26 HIS HA 1 27 ASP H 4.100 2.500 5.700 3.562 3.556 3.566 . 0 0 "[ .]" 1
170 1 26 HIS HA 1 30 LEU H 4.500 2.700 6.300 4.214 3.344 4.648 . 0 0 "[ .]" 1
171 1 26 HIS QB 1 27 ASP H 3.500 . 4.900 2.415 2.375 2.474 . 0 0 "[ .]" 1
172 1 27 ASP H 1 30 LEU MD1 3.900 . 5.500 4.685 3.927 5.831 0.331 4 0 "[ .]" 1
173 1 30 LEU H 1 30 LEU QB 2.100 . 3.000 2.371 2.259 2.694 . 0 0 "[ .]" 1
174 1 30 LEU H 1 31 ALA H 2.700 . 3.800 2.519 2.337 2.629 . 0 0 "[ .]" 1
175 1 30 LEU HA 1 30 LEU QB 2.200 . 3.100 2.403 2.221 2.498 . 0 0 "[ .]" 1
176 1 30 LEU HA 1 30 LEU MD1 2.100 . 2.900 3.125 2.797 3.613 0.713 5 2 "[ -+]" 1
177 1 30 LEU HA 1 30 LEU MD2 3.900 . 5.500 3.637 2.257 4.315 . 0 0 "[ .]" 1
178 1 30 LEU HA 1 30 LEU HG 3.700 . 5.200 2.904 2.355 3.723 . 0 0 "[ .]" 1
179 1 30 LEU HA 1 31 ALA H 3.700 2.300 5.200 3.482 3.403 3.522 . 0 0 "[ .]" 1
180 1 30 LEU HA 1 32 GLY H 4.500 2.700 6.300 3.827 3.700 3.953 . 0 0 "[ .]" 1
181 1 30 LEU QB 1 30 LEU MD1 2.000 . 2.800 2.388 2.210 2.508 . 0 0 "[ .]" 1
182 1 30 LEU QB 1 30 LEU MD2 2.600 . 3.600 2.278 2.178 2.495 . 0 0 "[ .]" 1
183 1 30 LEU QB 1 30 LEU HG 2.000 . 2.800 2.341 2.152 2.401 . 0 0 "[ .]" 1
184 1 30 LEU QB 1 31 ALA H 4.400 . 4.500 2.969 2.708 3.712 . 0 0 "[ .]" 1
185 1 30 LEU QB 1 31 ALA MB 3.400 . 4.800 4.222 3.970 4.932 0.132 5 0 "[ .]" 1
186 1 30 LEU QB 1 32 GLY H 4.800 . 6.700 4.602 4.493 4.904 . 0 0 "[ .]" 1
187 1 30 LEU MD1 1 31 ALA H 4.000 . 5.600 3.607 2.635 4.202 . 0 0 "[ .]" 1
188 1 30 LEU MD2 1 30 LEU HG 2.300 . 3.200 2.245 2.179 2.279 . 0 0 "[ .]" 1
189 1 31 ALA H 1 31 ALA HA 3.000 . 3.800 2.889 2.883 2.902 . 0 0 "[ .]" 1
190 1 31 ALA H 1 31 ALA MB 2.600 . 2.800 2.295 2.197 2.426 . 0 0 "[ .]" 1
191 1 31 ALA H 1 32 GLY H 2.700 . 3.800 2.484 2.437 2.504 . 0 0 "[ .]" 1
192 1 31 ALA HA 1 31 ALA MB 2.100 . 2.900 2.270 2.230 2.289 . 0 0 "[ .]" 1
193 1 31 ALA HA 1 32 GLY H 3.500 2.100 4.900 3.438 3.403 3.458 . 0 0 "[ .]" 1
194 1 31 ALA MB 1 32 GLY H 3.900 . 4.600 2.954 2.829 3.123 . 0 0 "[ .]" 1
195 1 32 GLY H 1 32 GLY HA3 2.500 . 3.500 2.936 2.895 2.974 . 0 0 "[ .]" 1
196 1 34 ARG HA 1 34 ARG QG 2.700 . 3.800 2.590 2.392 2.783 . 0 0 "[ .]" 1
197 1 34 ARG HA 1 35 TYR H 2.800 . 3.400 2.136 2.102 2.183 . 0 0 "[ .]" 1
198 1 34 ARG HA 1 35 TYR QB 3.200 . 4.500 4.026 3.835 4.460 . 0 0 "[ .]" 1
199 1 34 ARG QB 1 35 TYR H 3.300 . 4.200 3.012 2.824 3.171 . 0 0 "[ .]" 1
200 1 34 ARG QD 1 34 ARG QG 2.300 . 3.200 2.050 2.022 2.123 . 0 0 "[ .]" 1
201 1 34 ARG QD 1 53 ILE MD 4.200 . 5.900 3.532 2.450 4.715 . 0 0 "[ .]" 1
202 1 35 TYR H 1 35 TYR QB 3.700 . 4.100 2.481 2.411 2.662 . 0 0 "[ .]" 1
203 1 35 TYR H 1 36 LEU H 4.400 2.600 6.200 4.188 4.143 4.248 . 0 0 "[ .]" 1
204 1 35 TYR H 1 52 ALA MB 4.700 . 6.600 5.035 3.848 6.384 . 0 0 "[ .]" 1
205 1 35 TYR HA 1 36 LEU H 2.700 . 3.400 2.210 2.197 2.224 . 0 0 "[ .]" 1
206 1 35 TYR HA 1 36 LEU QB 4.200 . 5.900 4.170 4.134 4.231 . 0 0 "[ .]" 1
207 1 35 TYR HA 1 85 ILE MD 4.400 . 6.200 5.741 5.465 5.972 . 0 0 "[ .]" 1
208 1 35 TYR HA 1 85 ILE MG 4.000 . 5.600 3.518 3.229 3.700 . 0 0 "[ .]" 1
209 1 35 TYR QB 1 36 LEU H 4.300 . 6.000 3.804 3.553 3.908 . 0 0 "[ .]" 1
210 1 35 TYR QB 1 52 ALA HA 3.400 . 4.800 2.870 2.310 3.856 . 0 0 "[ .]" 1
211 1 35 TYR QB 1 52 ALA MB 3.400 . 4.600 2.910 2.012 4.013 . 0 0 "[ .]" 1
212 1 35 TYR QB 1 53 ILE H 3.700 . 5.200 2.486 1.840 3.519 . 0 0 "[ .]" 1
213 1 36 LEU H 1 36 LEU HA 2.500 . 3.500 2.993 2.977 3.009 . 0 0 "[ .]" 1
214 1 36 LEU H 1 36 LEU MD1 4.300 . 6.000 4.209 3.680 4.689 . 0 0 "[ .]" 1
215 1 36 LEU H 1 36 LEU MD2 3.000 . 4.100 4.196 4.093 4.256 0.156 2 0 "[ .]" 1
216 1 36 LEU H 1 53 ILE H 4.300 2.600 6.000 5.320 5.185 5.545 . 0 0 "[ .]" 1
217 1 36 LEU H 1 54 ASN HA 4.300 2.600 6.000 6.103 5.869 6.278 0.278 3 0 "[ .]" 1
218 1 36 LEU H 1 85 ILE HA 4.200 2.500 5.900 5.872 5.739 5.984 0.084 3 0 "[ .]" 1
219 1 36 LEU H 1 85 ILE MG 3.400 . 4.700 2.757 2.692 2.824 . 0 0 "[ .]" 1
220 1 36 LEU H 1 86 ILE QG 3.600 . 5.000 5.122 4.910 5.224 0.224 2 0 "[ .]" 1
221 1 36 LEU H 1 87 VAL HA 3.600 2.200 5.000 2.888 2.501 3.039 . 0 0 "[ .]" 1
222 1 36 LEU H 1 87 VAL MG2 4.300 . 5.000 3.594 3.394 3.742 . 0 0 "[ .]" 1
223 1 36 LEU HA 1 36 LEU MD1 4.500 . 6.300 2.906 2.189 3.920 . 0 0 "[ .]" 1
224 1 36 LEU HA 1 36 LEU MD2 2.300 . 3.200 2.574 2.323 3.332 0.132 2 0 "[ .]" 1
225 1 36 LEU HA 1 36 LEU HG 4.000 . 5.600 3.242 2.331 3.753 . 0 0 "[ .]" 1
226 1 36 LEU HA 1 37 ASP H 2.300 . 3.200 2.154 2.142 2.172 . 0 0 "[ .]" 1
227 1 36 LEU HA 1 53 ILE H 4.300 2.600 6.000 4.278 4.010 4.464 . 0 0 "[ .]" 1
228 1 36 LEU HA 1 53 ILE HB 4.500 2.700 6.300 3.631 3.259 3.896 . 0 0 "[ .]" 1
229 1 36 LEU HA 1 53 ILE QG 4.200 . 5.900 5.470 5.155 5.683 . 0 0 "[ .]" 1
230 1 36 LEU HA 1 53 ILE MG 4.300 . 6.000 3.333 3.175 3.524 . 0 0 "[ .]" 1
231 1 36 LEU HA 1 55 VAL MG2 3.500 . 4.900 4.496 3.510 5.113 0.213 4 0 "[ .]" 1
232 1 36 LEU HA 1 87 VAL MG2 3.300 . 4.600 4.599 4.523 4.698 0.098 2 0 "[ .]" 1
233 1 36 LEU QB 1 36 LEU MD1 3.100 . 4.400 2.439 2.083 2.665 . 0 0 "[ .]" 1
234 1 36 LEU QB 1 36 LEU MD2 2.800 . 3.900 2.284 2.191 2.434 . 0 0 "[ .]" 1
235 1 36 LEU QB 1 53 ILE HB 3.800 . 5.300 4.996 4.725 5.306 0.006 3 0 "[ .]" 1
236 1 36 LEU QB 1 53 ILE MG 3.000 . 4.200 4.394 4.225 4.476 0.276 5 0 "[ .]" 1
237 1 36 LEU QB 1 85 ILE HB 3.200 . 4.500 4.127 3.908 4.595 0.095 4 0 "[ .]" 1
238 1 36 LEU QB 1 85 ILE MD 4.400 . 6.200 3.345 2.834 4.156 . 0 0 "[ .]" 1
239 1 36 LEU QB 1 85 ILE MG 3.000 . 4.200 2.133 1.973 2.631 . 0 0 "[ .]" 1
240 1 36 LEU QB 1 87 VAL HA 4.400 . 6.200 2.409 2.105 3.346 . 0 0 "[ .]" 1
241 1 36 LEU QB 1 87 VAL MG1 3.700 . 5.200 2.684 2.456 3.210 . 0 0 "[ .]" 1
242 1 36 LEU QB 1 87 VAL MG2 3.100 . 4.400 2.088 2.015 2.178 . 0 0 "[ .]" 1
243 1 36 LEU MD1 1 36 LEU MD2 2.300 . 3.200 2.186 2.133 2.244 . 0 0 "[ .]" 1
244 1 36 LEU MD1 1 38 VAL MG1 2.900 . 4.100 3.166 1.887 4.213 0.113 2 0 "[ .]" 1
245 1 36 LEU MD1 1 54 ASN HA 4.500 . 6.300 3.999 2.735 5.850 . 0 0 "[ .]" 1
246 1 36 LEU MD1 1 85 ILE MD 3.500 . 4.900 3.993 2.138 5.181 0.281 5 0 "[ .]" 1
247 1 36 LEU MD1 1 87 VAL MG1 2.700 . 3.800 2.944 2.192 4.217 0.417 2 0 "[ .]" 1
248 1 36 LEU MD2 1 37 ASP H 2.600 . 3.600 3.623 3.471 3.785 0.185 1 0 "[ .]" 1
249 1 36 LEU MD2 1 54 ASN HA 4.100 . 5.700 4.169 3.433 4.820 . 0 0 "[ .]" 1
250 1 36 LEU MD2 1 55 VAL MG2 1.800 . 2.500 2.602 2.414 2.961 0.461 5 0 "[ .]" 1
251 1 36 LEU MD2 1 56 PRO QD 3.700 . 5.200 5.352 5.121 5.514 0.314 3 0 "[ .]" 1
252 1 36 LEU MD2 1 81 GLN QG 2.300 . 3.200 3.543 3.418 3.656 0.456 1 0 "[ .]" 1
253 1 36 LEU MD2 1 85 ILE MG 2.200 . 3.100 3.356 3.199 3.562 0.462 2 0 "[ .]" 1
254 1 36 LEU MD2 1 87 VAL MG2 2.300 . 3.200 3.428 2.570 3.728 0.528 4 1 "[ +.]" 1
255 1 36 LEU HG 1 37 ASP H 4.300 2.600 6.000 4.314 3.687 4.783 . 0 0 "[ .]" 1
256 1 36 LEU HG 1 38 VAL MG1 3.800 . 5.300 4.412 3.608 5.374 0.074 4 0 "[ .]" 1
257 1 36 LEU HG 1 87 VAL MG1 3.600 . 5.000 3.652 2.670 5.107 0.107 4 0 "[ .]" 1
258 1 37 ASP H 1 53 ILE H 4.200 2.500 5.900 4.787 4.175 5.180 . 0 0 "[ .]" 1
259 1 37 ASP H 1 54 ASN QB 4.000 . 5.600 3.762 3.344 4.126 . 0 0 "[ .]" 1
260 1 37 ASP H 1 55 VAL H 4.500 2.700 6.300 2.981 2.528 3.623 0.172 5 0 "[ .]" 1
261 1 37 ASP H 1 55 VAL MG2 4.700 . 5.900 4.774 3.947 5.815 . 0 0 "[ .]" 1
262 1 37 ASP H 1 85 ILE MD 4.700 . 6.600 6.898 6.850 7.002 0.402 4 0 "[ .]" 1
263 1 37 ASP HA 1 38 VAL H 2.700 . 3.300 2.210 2.154 2.320 . 0 0 "[ .]" 1
264 1 37 ASP HA 1 38 VAL MG1 4.200 . 5.900 3.528 3.308 3.911 . 0 0 "[ .]" 1
265 1 37 ASP HA 1 38 VAL MG2 4.100 . 5.700 4.208 3.727 5.485 . 0 0 "[ .]" 1
266 1 37 ASP HA 1 88 GLY H 4.100 2.500 5.700 2.900 2.391 3.716 0.109 2 0 "[ .]" 1
267 1 37 ASP QB 1 38 VAL H 4.600 . 6.500 3.367 2.593 3.898 . 0 0 "[ .]" 1
268 1 37 ASP QB 1 54 ASN HA 4.200 . 5.900 2.512 2.230 2.722 . 0 0 "[ .]" 1
269 1 37 ASP QB 1 54 ASN QB 4.000 . 5.600 2.518 2.165 3.452 . 0 0 "[ .]" 1
270 1 38 VAL H 1 38 VAL MG1 3.200 . 4.400 2.683 1.775 3.113 . 0 0 "[ .]" 1
271 1 38 VAL H 1 38 VAL MG2 2.800 . 3.800 2.559 2.147 3.732 . 0 0 "[ .]" 1
272 1 38 VAL H 1 39 ARG H 3.500 2.100 4.900 3.710 3.345 4.229 . 0 0 "[ .]" 1
273 1 38 VAL H 1 88 GLY H 3.900 2.300 5.500 3.668 3.436 4.068 . 0 0 "[ .]" 1
274 1 38 VAL H 1 89 CYS HA 4.300 2.800 6.000 3.565 2.996 4.044 . 0 0 "[ .]" 1
275 1 38 VAL HA 1 38 VAL HB 2.700 . 3.800 2.438 2.366 2.484 . 0 0 "[ .]" 1
276 1 38 VAL HA 1 38 VAL MG1 2.500 . 3.500 2.628 2.316 3.241 . 0 0 "[ .]" 1
277 1 38 VAL HA 1 38 VAL MG2 3.200 . 4.500 3.214 2.802 3.335 . 0 0 "[ .]" 1
278 1 38 VAL HA 1 39 ARG H 4.400 2.600 4.900 2.204 2.111 2.330 0.489 5 0 "[ .]" 1
279 1 38 VAL HA 1 55 VAL H 3.900 2.600 5.500 3.395 3.096 3.661 . 0 0 "[ .]" 1
280 1 38 VAL HA 1 55 VAL HB 4.300 2.600 6.000 5.797 5.430 6.343 0.343 1 0 "[ .]" 1
281 1 38 VAL HA 1 55 VAL MG1 3.900 . 5.500 5.354 4.934 5.774 0.274 2 0 "[ .]" 1
282 1 38 VAL HA 1 56 PRO HA 3.200 . 4.500 3.344 2.948 3.708 . 0 0 "[ .]" 1
283 1 38 VAL HA 1 56 PRO QB 3.900 . 5.500 4.144 3.200 5.305 . 0 0 "[ .]" 1
284 1 38 VAL HA 1 57 TYR H 3.600 2.200 5.000 4.665 4.050 5.076 0.076 3 0 "[ .]" 1
285 1 38 VAL HB 1 56 PRO HA 4.000 2.400 5.600 2.759 2.328 3.072 0.072 5 0 "[ .]" 1
286 1 38 VAL HB 1 57 TYR H 3.700 2.200 3.800 3.786 3.271 4.051 0.251 3 0 "[ .]" 1
287 1 38 VAL HB 1 57 TYR QB 3.900 . 5.500 4.827 3.186 5.645 0.145 4 0 "[ .]" 1
288 1 38 VAL MG1 1 38 VAL MG2 2.200 . 3.100 2.176 2.025 2.307 . 0 0 "[ .]" 1
289 1 38 VAL MG1 1 57 TYR H 3.900 . 5.500 3.158 1.725 5.299 . 0 0 "[ .]" 1
290 1 38 VAL MG1 1 57 TYR QB 4.100 . 5.700 4.141 2.088 5.902 0.202 5 0 "[ .]" 1
291 1 38 VAL MG1 1 87 VAL MG1 2.300 . 3.200 2.548 2.170 2.962 . 0 0 "[ .]" 1
292 1 38 VAL MG1 1 88 GLY H 4.300 . 6.000 3.934 3.763 4.112 . 0 0 "[ .]" 1
293 1 38 VAL MG2 1 39 ARG H 3.900 . 5.400 4.017 3.431 4.206 . 0 0 "[ .]" 1
294 1 38 VAL MG2 1 89 CYS HA 4.100 . 5.700 2.749 2.288 4.244 . 0 0 "[ .]" 1
295 1 38 VAL MG2 1 89 CYS QB 3.600 . 5.100 3.648 2.597 4.944 . 0 0 "[ .]" 1
296 1 39 ARG H 1 40 THR H 2.400 . 3.400 2.365 2.308 2.408 . 0 0 "[ .]" 1
297 1 39 ARG HA 1 40 THR H 3.400 . 4.800 3.551 3.545 3.555 . 0 0 "[ .]" 1
298 1 40 THR H 1 40 THR MG 3.400 . 4.300 3.946 3.883 4.020 . 0 0 "[ .]" 1
299 1 40 THR H 1 42 GLU HA 4.700 2.800 6.600 6.927 6.811 7.019 0.419 2 0 "[ .]" 1
300 1 40 THR HA 1 40 THR HB 2.800 . 3.900 2.847 2.786 3.023 . 0 0 "[ .]" 1
301 1 40 THR HA 1 40 THR MG 3.000 . 4.200 2.254 2.055 2.708 . 0 0 "[ .]" 1
302 1 40 THR HA 1 56 PRO QB 4.300 . 5.200 4.182 3.846 4.433 . 0 0 "[ .]" 1
303 1 40 THR HA 1 56 PRO QG 4.400 . 6.200 5.648 4.876 6.253 0.053 4 0 "[ .]" 1
304 1 40 THR HB 1 40 THR MG 2.400 . 3.400 2.242 2.207 2.290 . 0 0 "[ .]" 1
305 1 40 THR HB 1 56 PRO QB 4.400 . 6.200 5.651 4.999 6.379 0.179 1 0 "[ .]" 1
306 1 40 THR MG 1 43 GLU H 4.500 . 6.300 4.507 2.909 5.056 . 0 0 "[ .]" 1
307 1 40 THR MG 1 56 PRO QB 4.200 . 5.900 5.305 5.116 5.509 . 0 0 "[ .]" 1
308 1 42 GLU HA 1 42 GLU QG 3.100 . 4.300 2.619 2.346 3.303 . 0 0 "[ .]" 1
309 1 43 GLU H 1 43 GLU HA 2.900 . 4.100 2.846 2.825 2.863 . 0 0 "[ .]" 1
310 1 43 GLU H 1 43 GLU QB 2.500 . 3.500 2.313 2.261 2.449 . 0 0 "[ .]" 1
311 1 43 GLU H 1 44 PHE H 2.800 . 3.900 2.671 2.617 2.722 . 0 0 "[ .]" 1
312 1 43 GLU HA 1 43 GLU QB 2.200 . 3.100 2.378 2.195 2.433 . 0 0 "[ .]" 1
313 1 43 GLU HA 1 46 GLN H 4.400 2.600 6.200 3.754 3.502 4.106 . 0 0 "[ .]" 1
314 1 44 PHE H 1 44 PHE QB 3.300 . 3.600 2.188 2.040 2.235 . 0 0 "[ .]" 1
315 1 44 PHE H 1 45 SER QB 2.800 . 3.900 4.235 4.157 4.338 0.438 1 0 "[ .]" 1
316 1 44 PHE HA 1 45 SER H 3.700 2.200 5.200 3.528 3.503 3.545 . 0 0 "[ .]" 1
317 1 44 PHE HA 1 46 GLN H 4.200 2.600 5.900 4.094 3.442 4.437 . 0 0 "[ .]" 1
318 1 44 PHE HA 1 46 GLN QG 3.800 . 5.300 4.979 4.336 5.547 0.247 2 0 "[ .]" 1
319 1 44 PHE HA 1 47 GLY H 3.200 2.300 4.500 3.448 3.158 3.815 . 0 0 "[ .]" 1
320 1 44 PHE QB 1 45 SER H 3.100 . 4.400 2.561 2.322 3.131 . 0 0 "[ .]" 1
321 1 44 PHE QB 1 47 GLY H 3.700 . 5.000 4.776 4.665 4.954 . 0 0 "[ .]" 1
322 1 45 SER H 1 45 SER HA 2.700 . 3.800 2.840 2.810 2.888 . 0 0 "[ .]" 1
323 1 45 SER H 1 45 SER QB 2.900 . 3.100 2.277 2.263 2.288 . 0 0 "[ .]" 1
324 1 45 SER H 1 46 GLN H 2.900 . 4.100 2.729 2.613 2.863 . 0 0 "[ .]" 1
325 1 45 SER H 1 46 GLN QG 4.100 . 5.800 4.399 3.748 5.897 0.097 5 0 "[ .]" 1
326 1 45 SER H 1 47 GLY H 4.200 2.500 5.900 3.979 3.646 4.189 . 0 0 "[ .]" 1
327 1 45 SER HA 1 45 SER QB 1.800 . 2.500 2.418 2.399 2.430 . 0 0 "[ .]" 1
328 1 45 SER HA 1 46 GLN H . 2.300 3.400 3.503 3.424 3.551 0.151 4 0 "[ .]" 1
329 1 45 SER QB 1 46 GLN H 3.200 . 4.500 2.632 2.336 2.983 . 0 0 "[ .]" 1
330 1 46 GLN H 1 46 GLN HA 2.900 . 4.100 2.939 2.908 2.996 . 0 0 "[ .]" 1
331 1 46 GLN H 1 46 GLN QB . . 3.500 2.545 2.167 2.761 . 0 0 "[ .]" 1
332 1 46 GLN H 1 46 GLN QG 3.200 . 4.500 2.323 1.898 3.648 . 0 0 "[ .]" 1
333 1 46 GLN H 1 47 GLY H 2.200 . 3.100 2.395 2.001 2.642 . 0 0 "[ .]" 1
334 1 46 GLN HA 1 46 GLN QG 3.000 . 4.200 3.232 2.982 3.435 . 0 0 "[ .]" 1
335 1 46 GLN HA 1 47 GLY H 3.700 2.200 5.200 3.382 3.157 3.503 . 0 0 "[ .]" 1
336 1 46 GLN QB 1 47 GLY H 3.200 . 4.500 3.295 2.635 3.919 . 0 0 "[ .]" 1
337 1 47 GLY H 1 47 GLY HA2 . . 3.100 2.540 2.382 2.755 . 0 0 "[ .]" 1
338 1 47 GLY H 1 48 HIS H 3.600 2.200 5.000 4.473 4.357 4.587 . 0 0 "[ .]" 1
339 1 47 GLY HA2 1 48 HIS H 3.000 . 3.100 2.809 2.617 3.020 . 0 0 "[ .]" 1
340 1 47 GLY HA2 1 129 ALA H 4.400 2.600 6.200 4.333 2.717 5.359 . 0 0 "[ .]" 1
341 1 47 GLY HA2 1 129 ALA MB 3.600 . 5.000 4.916 4.697 5.101 0.101 2 0 "[ .]" 1
342 1 47 GLY HA3 1 48 HIS H 2.900 . 3.200 2.292 2.152 2.441 . 0 0 "[ .]" 1
343 1 47 GLY HA3 1 128 LYS H 4.700 2.800 5.900 5.722 4.869 6.106 0.206 2 0 "[ .]" 1
344 1 47 GLY HA3 1 129 ALA MB 3.500 . 4.900 4.228 3.755 4.869 . 0 0 "[ .]" 1
345 1 48 HIS H 1 127 THR HB 4.300 2.600 6.000 5.823 5.027 6.274 0.274 1 0 "[ .]" 1
346 1 48 HIS H 1 128 LYS H 2.700 . 3.800 4.615 4.094 4.894 1.094 3 4 "[**+ -]" 1
347 1 48 HIS H 1 128 LYS QG 4.700 . 6.600 3.806 2.983 5.586 . 0 0 "[ .]" 1
348 1 48 HIS H 1 129 ALA HA 4.400 2.700 6.100 5.471 3.424 6.193 0.093 1 0 "[ .]" 1
349 1 48 HIS H 1 129 ALA MB 4.200 . 5.900 4.647 3.669 5.246 . 0 0 "[ .]" 1
350 1 48 HIS HA 1 49 ALA H 3.100 . 4.300 2.512 2.095 2.798 . 0 0 "[ .]" 1
351 1 48 HIS HA 1 49 ALA MB 4.200 . 5.900 3.955 3.765 4.219 . 0 0 "[ .]" 1
352 1 48 HIS QB 1 49 ALA H . . 4.200 2.552 1.747 3.894 . 0 0 "[ .]" 1
353 1 48 HIS QB 1 128 LYS QD 4.300 . 6.000 4.790 4.200 6.246 0.246 4 0 "[ .]" 1
354 1 49 ALA H 1 49 ALA MB 3.400 . 3.600 2.729 2.485 2.939 . 0 0 "[ .]" 1
355 1 49 ALA H 1 126 PRO QB 3.600 . 5.000 5.180 5.078 5.267 0.267 1 0 "[ .]" 1
356 1 49 ALA H 1 127 THR H 3.500 2.100 4.900 4.090 3.941 4.308 . 0 0 "[ .]" 1
357 1 49 ALA H 1 128 LYS QG 4.600 . 6.500 5.121 3.867 6.003 . 0 0 "[ .]" 1
358 1 49 ALA HA 1 50 CYS H 3.800 2.300 5.300 2.323 2.205 2.417 0.095 4 0 "[ .]" 1
359 1 49 ALA HA 1 127 THR HA 3.300 . 4.600 4.045 3.417 4.438 . 0 0 "[ .]" 1
360 1 49 ALA MB 1 50 CYS H 4.500 . 6.300 2.636 2.378 2.876 . 0 0 "[ .]" 1
361 1 49 ALA MB 1 52 ALA MB 3.100 . 4.300 3.466 1.988 4.492 0.192 5 0 "[ .]" 1
362 1 49 ALA MB 1 127 THR HA 3.900 . 5.500 5.227 3.932 5.777 0.277 2 0 "[ .]" 1
363 1 49 ALA MB 1 127 THR MG 3.400 . 4.800 5.114 4.208 5.505 0.705 3 3 "[-*+ .]" 1
364 1 50 CYS H 1 128 LYS QG 4.600 . 6.400 6.573 5.831 6.861 0.461 4 0 "[ .]" 1
365 1 50 CYS HA 1 51 GLY H 4.000 2.400 5.600 2.302 2.096 2.684 0.304 3 0 "[ .]" 1
366 1 50 CYS HA 1 127 THR MG 4.000 . 5.600 3.828 3.369 4.814 . 0 0 "[ .]" 1
367 1 50 CYS HA 1 128 LYS QB 4.800 . 5.300 6.239 5.512 6.494 1.194 3 4 "[**+ -]" 1
368 1 50 CYS HA 1 128 LYS QD 3.900 . 5.400 5.462 3.846 5.941 0.541 2 2 "[ +- .]" 1
369 1 50 CYS QB 1 125 LEU HA 2.700 . 3.800 4.017 3.925 4.089 0.289 2 0 "[ .]" 1
370 1 50 CYS QB 1 125 LEU MD1 3.900 . 5.500 4.366 4.113 4.853 . 0 0 "[ .]" 1
371 1 50 CYS QB 1 125 LEU MD2 3.000 . 4.200 3.998 3.759 4.230 0.030 2 0 "[ .]" 1
372 1 50 CYS QB 1 127 THR MG 4.400 . 6.200 3.386 1.915 4.092 . 0 0 "[ .]" 1
373 1 51 GLY H 1 52 ALA H 3.900 2.300 5.500 2.429 1.837 3.322 0.463 4 0 "[ .]" 1
374 1 51 GLY HA2 1 52 ALA H 3.700 2.200 5.200 3.166 2.975 3.542 . 0 0 "[ .]" 1
375 1 51 GLY HA2 1 127 THR MG 4.400 . 6.200 6.559 6.281 7.126 0.926 4 1 "[ +.]" 1
376 1 52 ALA H 1 52 ALA MB 2.800 . 3.200 2.830 2.689 2.902 . 0 0 "[ .]" 1
377 1 52 ALA HA 1 53 ILE H 2.300 . 3.200 2.326 2.136 2.543 . 0 0 "[ .]" 1
378 1 52 ALA HA 1 53 ILE HB 4.200 2.500 5.900 4.447 4.319 4.576 . 0 0 "[ .]" 1
379 1 52 ALA MB 1 53 ILE H 3.000 . 3.500 2.791 2.287 3.296 . 0 0 "[ .]" 1
380 1 53 ILE H 1 53 ILE HB 2.900 . 3.600 2.399 2.286 2.591 . 0 0 "[ .]" 1
381 1 53 ILE H 1 53 ILE MD 4.600 . 6.300 3.616 2.270 4.116 . 0 0 "[ .]" 1
382 1 53 ILE H 1 53 ILE QG 4.400 . 5.300 2.952 2.688 3.497 . 0 0 "[ .]" 1
383 1 53 ILE H 1 53 ILE MG 4.300 . 6.000 3.831 3.756 3.944 . 0 0 "[ .]" 1
384 1 53 ILE H 1 54 ASN H 3.900 2.300 5.500 4.355 4.155 4.497 . 0 0 "[ .]" 1
385 1 53 ILE HA 1 53 ILE MD 3.500 . 4.900 3.684 3.011 3.873 . 0 0 "[ .]" 1
386 1 53 ILE HA 1 53 ILE QG 3.000 . 4.200 2.287 2.235 2.386 . 0 0 "[ .]" 1
387 1 53 ILE HA 1 53 ILE MG 2.600 . 3.600 2.615 2.502 2.689 . 0 0 "[ .]" 1
388 1 53 ILE HA 1 54 ASN H 2.200 . 2.900 2.157 2.120 2.214 . 0 0 "[ .]" 1
389 1 53 ILE HB 1 53 ILE MD 3.200 . 4.500 2.349 2.229 2.473 . 0 0 "[ .]" 1
390 1 53 ILE MD 1 53 ILE MG 2.200 . 3.100 2.510 2.126 3.382 0.282 1 0 "[ .]" 1
391 1 53 ILE MD 1 54 ASN H 4.100 . 5.700 4.960 4.695 5.260 . 0 0 "[ .]" 1
392 1 53 ILE QG 1 53 ILE MG 2.900 . 3.900 2.264 2.192 2.300 . 0 0 "[ .]" 1
393 1 53 ILE MG 1 54 ASN H 3.100 . 3.900 2.868 2.431 3.415 . 0 0 "[ .]" 1
394 1 53 ILE MG 1 54 ASN HA 4.700 . 6.600 3.841 3.719 4.026 . 0 0 "[ .]" 1
395 1 53 ILE MG 1 55 VAL HB 4.500 . 6.300 3.923 3.200 4.702 . 0 0 "[ .]" 1
396 1 53 ILE MG 1 55 VAL MG2 2.600 . 3.600 2.793 2.092 3.852 0.252 1 0 "[ .]" 1
397 1 54 ASN H 1 54 ASN QB 3.600 . 3.600 2.701 2.382 3.006 . 0 0 "[ .]" 1
398 1 54 ASN HA 1 55 VAL H 2.700 . 3.600 2.140 2.113 2.184 . 0 0 "[ .]" 1
399 1 54 ASN QB 1 55 VAL H 4.600 . 6.400 3.212 2.875 3.648 . 0 0 "[ .]" 1
400 1 55 VAL H 1 55 VAL HB 3.600 . 5.100 3.056 2.642 3.895 . 0 0 "[ .]" 1
401 1 55 VAL H 1 55 VAL MG1 3.100 . 4.400 3.404 2.350 3.903 . 0 0 "[ .]" 1
402 1 55 VAL H 1 55 VAL MG2 3.600 . 5.000 3.292 2.230 3.864 . 0 0 "[ .]" 1
403 1 55 VAL HA 1 55 VAL MG1 2.700 . 3.800 2.723 2.059 3.024 . 0 0 "[ .]" 1
404 1 55 VAL HA 1 55 VAL MG2 2.900 . 4.000 2.582 2.167 3.125 . 0 0 "[ .]" 1
405 1 55 VAL HA 1 56 PRO QD 2.400 . 3.400 2.008 1.980 2.052 . 0 0 "[ .]" 1
406 1 55 VAL HA 1 56 PRO QG 4.300 . 6.000 3.933 3.896 4.010 . 0 0 "[ .]" 1
407 1 55 VAL HB 1 55 VAL MG1 2.000 . 2.800 2.252 2.190 2.318 . 0 0 "[ .]" 1
408 1 55 VAL HB 1 55 VAL MG2 2.400 . 3.400 2.180 2.171 2.196 . 0 0 "[ .]" 1
409 1 55 VAL MG1 1 55 VAL MG2 1.900 . 2.700 2.226 2.147 2.295 . 0 0 "[ .]" 1
410 1 55 VAL MG1 1 56 PRO HA 3.500 . 4.900 4.571 4.009 5.590 0.690 1 1 "[+ .]" 1
411 1 55 VAL MG1 1 56 PRO QD 3.300 . 4.000 3.291 1.991 3.811 . 0 0 "[ .]" 1
412 1 55 VAL MG1 1 57 TYR HA 3.800 . 5.300 4.056 2.906 5.436 0.136 1 0 "[ .]" 1
413 1 55 VAL MG2 1 56 PRO HA 4.700 . 6.600 5.229 3.791 5.826 . 0 0 "[ .]" 1
414 1 55 VAL MG2 1 56 PRO QD 4.000 . 5.600 3.219 2.168 3.732 . 0 0 "[ .]" 1
415 1 55 VAL MG2 1 57 TYR QB 4.200 . 5.600 5.456 4.212 6.100 0.500 5 0 "[ .]" 1
416 1 56 PRO HA 1 56 PRO QD 3.900 . 5.500 3.513 3.492 3.541 . 0 0 "[ .]" 1
417 1 56 PRO HA 1 56 PRO QG 3.200 . 4.500 3.526 3.519 3.530 . 0 0 "[ .]" 1
418 1 56 PRO HA 1 57 TYR H 2.600 . 3.400 2.547 2.256 2.959 . 0 0 "[ .]" 1
419 1 56 PRO HA 1 57 TYR QB 3.400 . 4.800 3.995 3.779 4.178 . 0 0 "[ .]" 1
420 1 56 PRO QB 1 56 PRO QG 2.100 . 2.900 1.923 1.919 1.926 . 0 0 "[ .]" 1
421 1 56 PRO QB 1 57 TYR H 3.900 . 5.500 3.914 3.813 3.970 . 0 0 "[ .]" 1
422 1 56 PRO QB 1 58 MET H 3.200 . 4.500 4.120 3.603 4.708 0.208 3 0 "[ .]" 1
423 1 57 TYR H 1 58 MET H 3.200 . 4.500 3.538 2.743 4.128 . 0 0 "[ .]" 1
424 1 57 TYR HA 1 58 MET H 4.200 2.500 4.900 3.408 3.138 3.525 . 0 0 "[ .]" 1
425 1 57 TYR HA 1 58 MET QB 4.100 . 5.700 5.053 4.193 5.408 . 0 0 "[ .]" 1
426 1 57 TYR HA 1 68 ASN QB 4.000 . 5.600 4.780 3.424 5.959 0.359 1 0 "[ .]" 1
427 1 57 TYR QB 1 58 MET H 3.600 . 5.100 2.112 1.679 3.452 . 0 0 "[ .]" 1
428 1 58 MET H 1 58 MET QB 3.100 . 4.300 2.654 2.325 2.781 . 0 0 "[ .]" 1
429 1 58 MET H 1 58 MET QG 4.400 . 6.100 3.075 2.347 4.177 . 0 0 "[ .]" 1
430 1 58 MET H 1 67 LYS QD 4.700 . 6.600 6.096 4.872 6.795 0.195 3 0 "[ .]" 1
431 1 58 MET HA 1 58 MET QG 3.400 . 4.800 2.611 2.284 3.066 . 0 0 "[ .]" 1
432 1 58 MET HA 1 59 ASN H 3.000 . 3.100 2.175 2.122 2.227 . 0 0 "[ .]" 1
433 1 58 MET HA 1 60 ARG H 4.300 2.600 6.000 5.856 5.521 6.129 0.129 1 0 "[ .]" 1
434 1 58 MET HA 1 67 LYS HA 2.700 . 3.800 3.703 3.483 4.077 0.277 1 0 "[ .]" 1
435 1 58 MET HA 1 68 ASN H 2.400 . 3.400 3.271 2.542 4.152 0.752 1 1 "[+ .]" 1
436 1 58 MET QB 1 59 ASN H 2.400 . 3.400 3.062 2.742 3.736 0.336 2 0 "[ .]" 1
437 1 58 MET QB 1 67 LYS QD 4.000 . 5.600 3.302 2.694 4.154 . 0 0 "[ .]" 1
438 1 58 MET QG 1 67 LYS HA 3.400 . 4.800 4.411 3.660 4.917 0.117 4 0 "[ .]" 1
439 1 58 MET QG 1 67 LYS QB 3.300 . 4.600 3.808 2.563 5.188 0.588 1 1 "[+ .]" 1
440 1 59 ASN H 1 59 ASN QB 3.500 . 3.800 2.749 2.672 2.810 . 0 0 "[ .]" 1
441 1 59 ASN H 1 68 ASN H 3.700 2.200 5.200 3.623 2.646 4.792 . 0 0 "[ .]" 1
442 1 59 ASN HA 1 60 ARG H 2.300 . 2.800 2.170 2.152 2.219 . 0 0 "[ .]" 1
443 1 59 ASN HA 1 60 ARG QB 3.800 . 5.300 4.306 4.142 4.381 . 0 0 "[ .]" 1
444 1 59 ASN HA 1 67 LYS HA 4.700 2.800 6.600 4.757 3.972 5.565 . 0 0 "[ .]" 1
445 1 59 ASN HA 1 67 LYS QB 3.100 . 4.300 4.294 3.900 4.655 0.355 2 0 "[ .]" 1
446 1 59 ASN QB 1 60 ARG H 3.900 . 4.300 3.670 3.364 3.857 . 0 0 "[ .]" 1
447 1 59 ASN QB 1 66 SER H 4.000 . 5.600 5.086 4.672 5.749 0.149 1 0 "[ .]" 1
448 1 59 ASN QB 1 66 SER QB 3.600 . 5.000 4.991 4.838 5.091 0.091 4 0 "[ .]" 1
449 1 60 ARG H 1 60 ARG QB . . 3.500 2.606 2.321 2.854 . 0 0 "[ .]" 1
450 1 60 ARG H 1 60 ARG QG 3.900 . 5.400 2.908 2.153 4.034 . 0 0 "[ .]" 1
451 1 60 ARG H 1 61 GLY H 4.100 2.400 5.800 4.414 4.281 4.556 . 0 0 "[ .]" 1
452 1 60 ARG H 1 67 LYS QB 2.800 . 3.900 3.917 3.641 4.202 0.302 2 0 "[ .]" 1
453 1 60 ARG H 1 67 LYS QE 2.700 . 3.800 3.846 3.639 3.955 0.155 4 0 "[ .]" 1
454 1 60 ARG HA 1 60 ARG QD 3.700 . 5.200 4.213 4.003 4.343 . 0 0 "[ .]" 1
455 1 60 ARG HA 1 60 ARG QG 2.600 . 3.600 2.953 2.397 3.307 . 0 0 "[ .]" 1
456 1 60 ARG HA 1 61 GLY H 2.200 . 2.500 2.141 2.129 2.167 . 0 0 "[ .]" 1
457 1 60 ARG HA 1 65 MET HA 2.400 . 3.400 3.150 2.642 3.484 0.084 2 0 "[ .]" 1
458 1 60 ARG HA 1 65 MET QG 3.500 . 4.900 4.660 4.238 5.021 0.121 2 0 "[ .]" 1
459 1 60 ARG HA 1 66 SER H 3.800 2.300 4.400 2.752 2.160 3.200 0.140 1 0 "[ .]" 1
460 1 60 ARG QB 1 60 ARG QD 3.100 . 3.900 2.241 2.195 2.413 . 0 0 "[ .]" 1
461 1 60 ARG QB 1 61 GLY H 4.500 . 4.800 3.458 3.302 3.696 . 0 0 "[ .]" 1
462 1 60 ARG QB 1 65 MET H 4.000 . 5.600 5.432 5.204 5.648 0.048 1 0 "[ .]" 1
463 1 60 ARG QB 1 67 LYS H 4.000 . 5.600 4.953 4.773 5.163 . 0 0 "[ .]" 1
464 1 60 ARG QB 1 67 LYS QB 3.500 . 4.900 2.960 2.721 3.236 . 0 0 "[ .]" 1
465 1 60 ARG QD 1 60 ARG QG 2.100 . 2.900 2.139 2.061 2.159 . 0 0 "[ .]" 1
466 1 60 ARG QD 1 61 GLY H 4.500 . 6.300 5.116 4.413 5.493 . 0 0 "[ .]" 1
467 1 60 ARG QG 1 61 GLY H 3.400 . 3.800 3.343 2.437 3.902 0.102 2 0 "[ .]" 1
468 1 60 ARG QG 1 62 ALA HA 3.900 . 5.500 5.816 5.632 5.948 0.448 4 0 "[ .]" 1
469 1 60 ARG QG 1 65 MET HA 4.300 . 6.000 4.046 2.312 5.201 . 0 0 "[ .]" 1
470 1 60 ARG QG 1 65 MET QG 3.900 . 5.500 4.128 2.279 5.363 . 0 0 "[ .]" 1
471 1 61 GLY H 1 61 GLY HA3 2.900 . 4.100 2.883 2.824 2.923 . 0 0 "[ .]" 1
472 1 61 GLY H 1 62 ALA HA 4.800 2.900 6.700 5.354 4.923 5.658 . 0 0 "[ .]" 1
473 1 61 GLY H 1 63 SER QB 2.400 . 3.400 3.799 3.504 3.975 0.575 3 3 "[ *+-.]" 1
474 1 61 GLY H 1 64 GLY H 3.900 2.300 5.500 3.910 3.718 4.115 . 0 0 "[ .]" 1
475 1 61 GLY H 1 65 MET HA 3.200 . 4.100 2.295 1.897 2.854 0.003 2 0 "[ .]" 1
476 1 61 GLY H 1 65 MET QG 4.700 . 6.400 3.487 3.316 3.694 . 0 0 "[ .]" 1
477 1 61 GLY H 1 66 SER H 3.900 2.300 5.500 2.969 2.548 3.620 . 0 0 "[ .]" 1
478 1 61 GLY HA2 1 65 MET QB 4.700 . 6.600 5.081 3.758 6.658 0.058 1 0 "[ .]" 1
479 1 61 GLY HA2 1 65 MET QG 4.100 . 5.800 3.493 2.266 5.070 . 0 0 "[ .]" 1
480 1 62 ALA HA 1 62 ALA MB 1.900 . 2.700 2.230 2.191 2.282 . 0 0 "[ .]" 1
481 1 62 ALA MB 1 63 SER QB 3.800 . 5.300 4.129 3.626 4.540 . 0 0 "[ .]" 1
482 1 63 SER HA 1 63 SER QB 2.000 . 2.800 2.353 2.276 2.489 . 0 0 "[ .]" 1
483 1 64 GLY HA2 1 65 MET H 3.800 2.300 4.200 2.812 2.700 2.967 . 0 0 "[ .]" 1
484 1 64 GLY HA3 1 65 MET H 3.700 2.200 4.000 3.491 3.438 3.523 . 0 0 "[ .]" 1
485 1 65 MET H 1 65 MET QG 3.600 . 5.000 2.698 2.629 2.750 . 0 0 "[ .]" 1
486 1 65 MET H 1 66 SER QB 4.700 . 6.600 4.588 4.484 4.722 . 0 0 "[ .]" 1
487 1 65 MET HA 1 65 MET QG 3.700 . 5.000 2.318 2.298 2.339 . 0 0 "[ .]" 1
488 1 65 MET HA 1 66 SER H 2.200 . 2.700 2.322 2.110 2.551 . 0 0 "[ .]" 1
489 1 65 MET HA 1 66 SER QB 4.000 . 5.600 4.492 4.147 4.758 . 0 0 "[ .]" 1
490 1 65 MET QB 1 66 SER H . . 3.600 3.690 3.379 3.867 0.267 2 0 "[ .]" 1
491 1 65 MET QG 1 66 SER H 3.800 . 5.300 4.314 4.164 4.423 . 0 0 "[ .]" 1
492 1 66 SER H 1 66 SER HA 2.900 . 4.100 2.916 2.896 2.952 . 0 0 "[ .]" 1
493 1 66 SER H 1 66 SER QB 2.900 . 4.100 2.883 2.780 2.928 . 0 0 "[ .]" 1
494 1 66 SER H 1 67 LYS QB 3.900 . 5.400 4.083 3.757 4.378 . 0 0 "[ .]" 1
495 1 66 SER H 1 68 ASN H 4.500 2.700 6.300 6.469 6.391 6.553 0.253 2 0 "[ .]" 1
496 1 66 SER HA 1 66 SER QB 2.200 . 3.100 2.437 2.377 2.475 . 0 0 "[ .]" 1
497 1 66 SER HA 1 67 LYS H 2.800 . 3.900 2.223 2.197 2.236 . 0 0 "[ .]" 1
498 1 66 SER QB 1 67 LYS H 3.300 . 4.600 3.836 3.736 4.005 . 0 0 "[ .]" 1
499 1 66 SER QB 1 67 LYS QB 4.100 . 5.700 5.103 4.827 5.282 . 0 0 "[ .]" 1
500 1 67 LYS H 1 67 LYS QB 3.500 . 3.500 2.663 2.362 3.032 . 0 0 "[ .]" 1
501 1 67 LYS H 1 67 LYS QG 3.800 . 5.300 3.161 1.859 4.177 . 0 0 "[ .]" 1
502 1 67 LYS HA 1 67 LYS QD 4.400 . 6.200 3.937 2.246 4.509 . 0 0 "[ .]" 1
503 1 67 LYS HA 1 67 LYS QG 2.800 . 3.900 2.878 2.564 3.324 . 0 0 "[ .]" 1
504 1 67 LYS HA 1 68 ASN H 2.500 . 2.900 2.153 2.096 2.207 . 0 0 "[ .]" 1
505 1 67 LYS HA 1 68 ASN QB 4.400 . 6.100 4.333 4.037 4.584 . 0 0 "[ .]" 1
506 1 67 LYS QB 1 67 LYS QE 4.200 . 5.900 2.528 2.152 3.808 . 0 0 "[ .]" 1
507 1 67 LYS QB 1 68 ASN H 3.800 . 5.300 3.361 2.859 3.797 . 0 0 "[ .]" 1
508 1 67 LYS QE 1 67 LYS QG 3.300 . 4.600 2.488 2.162 2.901 . 0 0 "[ .]" 1
509 1 67 LYS QG 1 68 ASN H 3.900 . 4.200 3.201 2.260 4.229 0.029 5 0 "[ .]" 1
510 1 67 LYS QG 1 69 THR HA 4.100 . 5.800 5.117 4.353 5.525 . 0 0 "[ .]" 1
511 1 68 ASN H 1 68 ASN QB 3.500 . 3.500 2.417 2.207 2.623 . 0 0 "[ .]" 1
512 1 68 ASN HA 1 69 THR H 2.400 . 3.300 2.202 2.102 2.379 . 0 0 "[ .]" 1
513 1 68 ASN QB 1 71 PHE QB 4.400 . 6.000 5.027 4.138 5.852 . 0 0 "[ .]" 1
514 1 69 THR H 1 69 THR HB 4.000 . 5.600 3.123 2.845 3.585 . 0 0 "[ .]" 1
515 1 69 THR H 1 69 THR MG 3.500 . 4.100 3.713 2.204 4.152 0.052 2 0 "[ .]" 1
516 1 69 THR H 1 70 ASP H 3.000 . 4.200 3.038 1.760 4.413 0.213 5 0 "[ .]" 1
517 1 69 THR HA 1 69 THR HB 2.300 . 3.200 2.871 2.340 3.016 . 0 0 "[ .]" 1
518 1 69 THR HA 1 69 THR MG 2.300 . 3.200 2.599 2.228 3.218 0.018 3 0 "[ .]" 1
519 1 69 THR HA 1 70 ASP H 3.500 2.100 4.800 3.120 2.362 3.574 . 0 0 "[ .]" 1
520 1 69 THR HA 1 70 ASP QB 4.500 . 6.300 4.676 4.038 5.024 . 0 0 "[ .]" 1
521 1 69 THR HA 1 71 PHE H 3.800 2.300 5.300 4.609 3.735 5.159 . 0 0 "[ .]" 1
522 1 69 THR HB 1 69 THR MG 2.200 . 3.100 2.237 2.171 2.309 . 0 0 "[ .]" 1
523 1 69 THR HB 1 70 ASP H 4.200 2.500 5.900 3.197 2.185 4.671 0.315 2 0 "[ .]" 1
524 1 69 THR MG 1 70 ASP H 4.100 . 5.700 3.102 1.839 3.858 . 0 0 "[ .]" 1
525 1 70 ASP H 1 70 ASP HA 2.900 . 3.800 2.843 2.386 3.010 . 0 0 "[ .]" 1
526 1 70 ASP H 1 70 ASP QB 3.100 . 3.400 3.103 2.630 3.335 . 0 0 "[ .]" 1
527 1 70 ASP H 1 71 PHE H 2.300 . 3.200 2.149 1.424 2.991 . 0 0 "[ .]" 1
528 1 70 ASP H 1 73 GLU QG 4.300 . 6.000 5.602 4.491 6.035 0.035 5 0 "[ .]" 1
529 1 70 ASP HA 1 70 ASP QB 2.500 . 3.300 2.315 2.199 2.399 . 0 0 "[ .]" 1
530 1 70 ASP HA 1 71 PHE H 3.400 2.100 4.700 3.045 2.443 3.507 . 0 0 "[ .]" 1
531 1 70 ASP HA 1 73 GLU H 4.000 2.400 4.300 4.028 3.684 4.314 0.014 4 0 "[ .]" 1
532 1 70 ASP HA 1 73 GLU QG 4.300 . 6.000 4.823 4.471 5.185 . 0 0 "[ .]" 1
533 1 70 ASP QB 1 71 PHE H 3.700 . 5.200 3.413 2.385 3.909 . 0 0 "[ .]" 1
534 1 70 ASP QB 1 73 GLU QB 4.400 . 6.200 4.088 3.019 5.258 . 0 0 "[ .]" 1
535 1 70 ASP QB 1 74 GLN QG 4.200 . 5.800 5.367 4.911 5.836 0.036 4 0 "[ .]" 1
536 1 71 PHE H 1 71 PHE HA 2.700 . 3.800 2.811 2.794 2.841 . 0 0 "[ .]" 1
537 1 71 PHE H 1 71 PHE QB 2.900 . 3.200 2.496 2.419 2.672 . 0 0 "[ .]" 1
538 1 71 PHE H 1 72 LEU H 3.000 . 4.200 2.697 2.622 2.738 . 0 0 "[ .]" 1
539 1 71 PHE H 1 72 LEU HA 4.700 2.800 6.600 5.267 5.174 5.322 . 0 0 "[ .]" 1
540 1 71 PHE H 1 73 GLU QG 4.400 . 6.200 4.895 4.827 4.993 . 0 0 "[ .]" 1
541 1 71 PHE H 1 74 GLN QB 3.500 . 4.900 5.075 4.932 5.157 0.257 4 0 "[ .]" 1
542 1 71 PHE HA 1 72 LEU H 3.700 2.300 5.200 3.463 3.449 3.476 . 0 0 "[ .]" 1
543 1 71 PHE HA 1 72 LEU MD2 3.000 . 4.200 4.418 4.364 4.442 0.242 4 0 "[ .]" 1
544 1 71 PHE HA 1 74 GLN H 2.900 . 4.100 3.049 2.962 3.151 . 0 0 "[ .]" 1
545 1 71 PHE HA 1 74 GLN QB 3.600 . 4.900 2.445 2.304 2.542 . 0 0 "[ .]" 1
546 1 71 PHE HA 1 75 VAL MG2 4.200 . 5.900 4.135 3.579 5.094 . 0 0 "[ .]" 1
547 1 71 PHE QB 1 72 LEU H 3.400 . 3.900 2.780 2.743 2.829 . 0 0 "[ .]" 1
548 1 71 PHE QB 1 72 LEU MD2 4.000 . 5.600 2.541 2.420 2.648 . 0 0 "[ .]" 1
549 1 71 PHE QB 1 72 LEU HG 4.300 . 6.000 4.695 4.148 5.524 . 0 0 "[ .]" 1
550 1 72 LEU H 1 72 LEU HA 2.900 . 3.800 2.797 2.777 2.814 . 0 0 "[ .]" 1
551 1 72 LEU H 1 72 LEU QB . . 2.900 2.598 2.335 2.789 . 0 0 "[ .]" 1
552 1 72 LEU H 1 72 LEU MD2 3.400 . 4.800 2.002 1.801 2.237 . 0 0 "[ .]" 1
553 1 72 LEU H 1 72 LEU HG 3.000 . 4.200 2.751 2.152 3.755 . 0 0 "[ .]" 1
554 1 72 LEU H 1 73 GLU H 2.400 . 3.400 2.857 2.798 2.931 . 0 0 "[ .]" 1
555 1 72 LEU HA 1 72 LEU QB 2.500 . 3.500 2.380 2.304 2.497 . 0 0 "[ .]" 1
556 1 72 LEU HA 1 72 LEU MD1 3.100 . 4.300 3.172 2.263 3.678 . 0 0 "[ .]" 1
557 1 72 LEU HA 1 72 LEU MD2 2.300 . 3.200 2.175 2.146 2.192 . 0 0 "[ .]" 1
558 1 72 LEU HA 1 72 LEU HG 3.700 . 5.200 3.581 3.524 3.657 . 0 0 "[ .]" 1
559 1 72 LEU HA 1 73 GLU H 3.500 2.100 4.600 3.536 3.525 3.548 . 0 0 "[ .]" 1
560 1 72 LEU HA 1 75 VAL H 3.400 . 4.800 3.297 3.208 3.453 . 0 0 "[ .]" 1
561 1 72 LEU HA 1 75 VAL HB 3.600 2.200 5.000 2.886 2.324 4.999 . 0 0 "[ .]" 1
562 1 72 LEU HA 1 75 VAL MG1 4.000 . 5.600 3.710 3.160 4.072 . 0 0 "[ .]" 1
563 1 72 LEU HA 1 75 VAL MG2 3.200 . 4.500 3.156 1.988 3.727 . 0 0 "[ .]" 1
564 1 72 LEU HA 1 76 SER H 4.000 2.400 5.600 2.838 2.768 2.919 . 0 0 "[ .]" 1
565 1 72 LEU QB 1 72 LEU MD2 . . 2.900 2.607 2.484 2.655 . 0 0 "[ .]" 1
566 1 72 LEU QB 1 73 GLU H . . 3.600 2.546 2.498 2.597 . 0 0 "[ .]" 1
567 1 72 LEU MD2 1 74 GLN H 3.800 . 5.300 4.981 4.849 5.096 . 0 0 "[ .]" 1
568 1 72 LEU MD2 1 74 GLN QB 3.600 . 5.000 5.295 5.142 5.357 0.357 4 0 "[ .]" 1
569 1 72 LEU MD2 1 75 VAL H 3.100 . 4.300 4.405 4.326 4.567 0.267 2 0 "[ .]" 1
570 1 72 LEU MD2 1 75 VAL MG1 2.600 . 3.700 3.749 3.376 3.909 0.209 4 0 "[ .]" 1
571 1 72 LEU MD2 1 76 SER QB 3.200 . 4.500 4.673 4.571 4.795 0.295 5 0 "[ .]" 1
572 1 73 GLU H 1 73 GLU HA 2.600 . 3.700 2.863 2.853 2.879 . 0 0 "[ .]" 1
573 1 73 GLU H 1 73 GLU QB . . 2.700 2.300 2.257 2.336 . 0 0 "[ .]" 1
574 1 73 GLU H 1 73 GLU QG 2.900 . 4.100 2.570 2.471 2.680 . 0 0 "[ .]" 1
575 1 73 GLU H 1 74 GLN QG 3.400 . 4.800 4.769 4.683 4.829 0.029 5 0 "[ .]" 1
576 1 73 GLU HA 1 73 GLU QG 2.500 . 3.500 3.302 3.289 3.313 . 0 0 "[ .]" 1
577 1 73 GLU HA 1 74 GLN H 3.500 2.100 4.900 3.531 3.520 3.546 . 0 0 "[ .]" 1
578 1 73 GLU HA 1 76 SER QB 2.700 . 3.800 2.916 2.707 3.570 . 0 0 "[ .]" 1
579 1 73 GLU QB 1 74 GLN H 3.700 . 4.700 3.410 3.355 3.452 . 0 0 "[ .]" 1
580 1 73 GLU QG 1 74 GLN QB 2.000 . 2.800 3.242 3.201 3.356 0.556 2 1 "[ + .]" 1
581 1 74 GLN H 1 74 GLN HA 2.800 . 3.900 2.947 2.928 2.958 . 0 0 "[ .]" 1
582 1 74 GLN H 1 74 GLN QB . . 3.100 2.278 2.265 2.297 . 0 0 "[ .]" 1
583 1 74 GLN H 1 74 GLN QG 3.300 . 3.500 2.696 2.636 2.764 . 0 0 "[ .]" 1
584 1 74 GLN H 1 75 VAL H 2.500 . 3.500 2.504 2.451 2.608 . 0 0 "[ .]" 1
585 1 74 GLN HA 1 74 GLN QG 2.300 . 3.200 2.389 2.231 2.615 . 0 0 "[ .]" 1
586 1 74 GLN HA 1 75 VAL H 3.600 2.200 5.000 3.567 3.560 3.572 . 0 0 "[ .]" 1
587 1 74 GLN HA 1 77 SER H 2.700 . 3.800 3.634 3.409 3.919 0.119 2 0 "[ .]" 1
588 1 74 GLN HA 1 77 SER QB 3.200 . 4.500 2.853 2.329 3.372 . 0 0 "[ .]" 1
589 1 74 GLN QB 1 75 VAL H 4.400 . 4.400 2.462 2.416 2.518 . 0 0 "[ .]" 1
590 1 74 GLN QB 1 75 VAL MG2 3.000 . 4.200 3.518 3.162 4.345 0.145 2 0 "[ .]" 1
591 1 74 GLN QB 1 77 SER H 4.200 . 5.700 4.727 4.565 4.814 . 0 0 "[ .]" 1
592 1 75 VAL H 1 75 VAL HB 3.000 . 3.400 2.747 2.353 3.639 0.239 2 0 "[ .]" 1
593 1 75 VAL H 1 75 VAL MG1 3.400 . 4.600 3.518 2.141 3.874 . 0 0 "[ .]" 1
594 1 75 VAL H 1 75 VAL MG2 2.700 . 3.200 2.570 2.415 2.738 . 0 0 "[ .]" 1
595 1 75 VAL H 1 76 SER H 2.700 . 3.800 2.592 2.504 2.642 . 0 0 "[ .]" 1
596 1 75 VAL H 1 77 SER H 4.400 2.600 6.200 3.773 3.583 3.999 . 0 0 "[ .]" 1
597 1 75 VAL H 1 79 PHE QB 3.800 . 5.300 5.276 5.126 5.381 0.081 1 0 "[ .]" 1
598 1 75 VAL HA 1 75 VAL MG1 2.700 . 3.800 2.460 2.287 2.657 . 0 0 "[ .]" 1
599 1 75 VAL HA 1 75 VAL MG2 2.700 . 3.800 2.608 2.413 3.315 . 0 0 "[ .]" 1
600 1 75 VAL HA 1 76 SER H 4.700 2.800 5.400 3.550 3.541 3.562 . 0 0 "[ .]" 1
601 1 75 VAL HA 1 77 SER H 3.800 2.700 5.300 3.807 3.595 4.048 . 0 0 "[ .]" 1
602 1 75 VAL HA 1 78 HIS H 4.300 2.600 6.000 3.725 3.485 4.023 . 0 0 "[ .]" 1
603 1 75 VAL HA 1 78 HIS QB 4.600 . 6.500 5.702 5.062 6.260 . 0 0 "[ .]" 1
604 1 75 VAL HB 1 76 SER H 3.600 2.200 3.600 2.718 2.370 3.816 0.216 2 0 "[ .]" 1
605 1 75 VAL MG1 1 75 VAL MG2 2.200 . 3.100 2.243 2.063 2.354 . 0 0 "[ .]" 1
606 1 75 VAL MG1 1 76 SER H 3.800 . 4.600 3.458 3.039 3.753 . 0 0 "[ .]" 1
607 1 75 VAL MG1 1 76 SER HA 3.600 . 5.000 4.033 3.270 5.301 0.301 2 0 "[ .]" 1
608 1 75 VAL MG1 1 79 PHE H 3.600 . 5.000 4.056 3.426 5.221 0.221 2 0 "[ .]" 1
609 1 75 VAL MG1 1 79 PHE QB 3.400 . 4.800 4.201 2.289 5.306 0.506 4 1 "[ +.]" 1
610 1 75 VAL MG2 1 76 SER H 4.000 . 4.800 3.474 1.746 4.020 . 0 0 "[ .]" 1
611 1 75 VAL MG2 1 79 PHE HA 4.100 . 5.800 5.555 4.876 5.937 0.137 1 0 "[ .]" 1
612 1 76 SER H 1 76 SER HA 2.900 . 4.100 2.859 2.837 2.902 . 0 0 "[ .]" 1
613 1 76 SER H 1 76 SER QB 3.200 . 4.500 2.320 2.281 2.398 . 0 0 "[ .]" 1
614 1 76 SER H 1 77 SER H 2.500 . 3.500 2.657 2.518 2.744 . 0 0 "[ .]" 1
615 1 76 SER HA 1 77 SER H 4.200 2.500 5.200 3.466 3.402 3.532 . 0 0 "[ .]" 1
616 1 76 SER HA 1 78 HIS H 3.600 2.600 5.000 3.708 3.395 4.254 . 0 0 "[ .]" 1
617 1 76 SER QB 1 77 SER H 4.200 . 5.900 2.991 2.593 3.630 . 0 0 "[ .]" 1
618 1 77 SER H 1 77 SER HA 2.800 . 3.400 2.868 2.828 2.920 . 0 0 "[ .]" 1
619 1 77 SER H 1 77 SER QB 2.900 . 3.100 2.362 2.264 2.445 . 0 0 "[ .]" 1
620 1 77 SER H 1 78 HIS H 2.000 . 2.800 2.718 2.601 2.860 0.060 3 0 "[ .]" 1
621 1 77 SER H 1 79 PHE QB 3.800 . 5.000 4.876 4.646 5.136 0.136 3 0 "[ .]" 1
622 1 77 SER HA 1 77 SER QB 2.000 . 2.800 2.289 2.196 2.445 . 0 0 "[ .]" 1
623 1 77 SER HA 1 78 HIS H 3.800 2.300 5.300 3.426 3.262 3.559 . 0 0 "[ .]" 1
624 1 77 SER QB 1 78 HIS H 3.900 . 5.500 3.210 2.288 3.846 . 0 0 "[ .]" 1
625 1 78 HIS H 1 78 HIS HA 2.900 . 4.100 2.672 2.380 2.925 . 0 0 "[ .]" 1
626 1 78 HIS H 1 79 PHE H 2.000 . 2.800 1.934 1.509 2.641 . 0 0 "[ .]" 1
627 1 78 HIS HA 1 78 HIS QB 2.500 . 3.500 2.503 2.416 2.545 . 0 0 "[ .]" 1
628 1 78 HIS QB 1 79 PHE H 4.400 . 4.600 3.535 3.010 3.969 . 0 0 "[ .]" 1
629 1 79 PHE H 1 79 PHE QB 3.800 . 3.800 2.630 2.384 2.812 . 0 0 "[ .]" 1
630 1 79 PHE HA 1 80 GLY H 2.300 . 3.200 2.254 2.160 2.424 . 0 0 "[ .]" 1
631 1 79 PHE HA 1 80 GLY QA 3.900 . 5.500 3.964 3.957 3.981 . 0 0 "[ .]" 1
632 1 79 PHE QB 1 80 GLY H 4.100 . 4.600 2.920 2.312 3.398 . 0 0 "[ .]" 1
633 1 79 PHE QB 1 83 ASP QB 4.200 . 5.900 3.647 2.440 4.326 . 0 0 "[ .]" 1
634 1 80 GLY H 1 81 GLN H 3.400 . 4.800 4.458 4.434 4.481 . 0 0 "[ .]" 1
635 1 80 GLY H 1 82 SER HA 4.000 2.400 5.600 6.393 6.312 6.489 0.889 4 5 [**-+*] 1
636 1 80 GLY H 1 83 ASP H 4.500 2.700 6.300 3.400 3.322 3.486 . 0 0 "[ .]" 1
637 1 80 GLY H 1 83 ASP HA 2.800 . 3.900 3.710 3.416 4.079 0.179 3 0 "[ .]" 1
638 1 80 GLY H 1 83 ASP QB 4.200 . 5.900 1.660 1.598 1.695 . 0 0 "[ .]" 1
639 1 80 GLY QA 1 81 GLN H 2.800 . 3.300 2.117 2.108 2.135 . 0 0 "[ .]" 1
640 1 80 GLY QA 1 81 GLN QG 4.500 . 6.300 4.126 3.737 5.122 . 0 0 "[ .]" 1
641 1 80 GLY QA 1 83 ASP HA 2.200 . 3.100 3.434 3.230 3.580 0.480 2 0 "[ .]" 1
642 1 81 GLN H 1 81 GLN HA 3.000 . 3.900 2.790 2.782 2.800 . 0 0 "[ .]" 1
643 1 81 GLN H 1 81 GLN QB . . 3.100 2.243 2.206 2.311 . 0 0 "[ .]" 1
644 1 81 GLN H 1 81 GLN QG 3.700 . 4.200 2.933 2.527 3.906 . 0 0 "[ .]" 1
645 1 81 GLN HA 1 81 GLN QG 2.800 . 3.900 3.268 3.250 3.291 . 0 0 "[ .]" 1
646 1 81 GLN HA 1 82 SER H 3.700 2.200 5.200 3.464 3.425 3.546 . 0 0 "[ .]" 1
647 1 81 GLN HA 1 83 ASP H 3.900 2.400 5.500 3.993 3.901 4.167 . 0 0 "[ .]" 1
648 1 81 GLN HA 1 83 ASP HA 4.500 2.700 6.300 6.673 6.595 6.787 0.487 3 0 "[ .]" 1
649 1 81 GLN QB 1 82 SER H 3.500 . 4.900 3.421 2.717 3.635 . 0 0 "[ .]" 1
650 1 81 GLN QG 1 83 ASP H 4.700 . 6.600 4.258 4.111 4.607 . 0 0 "[ .]" 1
651 1 81 GLN QG 1 83 ASP HA 4.600 . 6.000 6.165 5.885 6.612 0.612 3 1 "[ + .]" 1
652 1 81 GLN QG 1 83 ASP QB 4.500 . 6.300 5.739 5.548 6.097 . 0 0 "[ .]" 1
653 1 82 SER H 1 82 SER HA 2.900 . 4.100 3.014 3.013 3.015 . 0 0 "[ .]" 1
654 1 82 SER H 1 82 SER QB 3.600 . 4.000 2.653 2.493 3.082 . 0 0 "[ .]" 1
655 1 82 SER H 1 83 ASP H 2.300 . 3.200 2.221 2.117 2.324 . 0 0 "[ .]" 1
656 1 82 SER H 1 83 ASP HA 3.400 . 4.800 4.219 4.183 4.242 . 0 0 "[ .]" 1
657 1 82 SER H 1 83 ASP QB 4.300 . 6.000 4.097 3.951 4.196 . 0 0 "[ .]" 1
658 1 82 SER HA 1 83 ASP H 2.900 2.100 4.100 3.048 3.001 3.102 . 0 0 "[ .]" 1
659 1 82 SER QB 1 83 ASP H 3.900 . 5.500 3.679 3.602 3.830 . 0 0 "[ .]" 1
660 1 83 ASP H 1 83 ASP QB 2.700 . 3.300 2.347 2.232 2.615 . 0 0 "[ .]" 1
661 1 83 ASP H 1 84 ASN H 3.900 2.300 5.500 4.402 4.347 4.441 . 0 0 "[ .]" 1
662 1 83 ASP H 1 85 ILE MD 4.000 . 5.600 3.793 3.327 4.328 . 0 0 "[ .]" 1
663 1 83 ASP HA 1 84 ASN H 2.300 . 2.800 2.131 2.121 2.146 . 0 0 "[ .]" 1
664 1 83 ASP QB 1 84 ASN H 4.000 . 4.800 3.710 3.457 3.893 . 0 0 "[ .]" 1
665 1 83 ASP QB 1 85 ILE MD 4.100 . 5.700 4.551 3.835 5.140 . 0 0 "[ .]" 1
666 1 84 ASN H 1 109 GLY HA2 4.600 2.800 6.400 3.921 3.635 4.219 . 0 0 "[ .]" 1
667 1 85 ILE HA 1 85 ILE MD 4.300 . 6.000 3.763 3.745 3.792 . 0 0 "[ .]" 1
668 1 85 ILE HA 1 85 ILE MG 2.700 . 3.800 2.571 2.482 2.738 . 0 0 "[ .]" 1
669 1 85 ILE HA 1 86 ILE H 2.700 . 3.800 2.505 2.438 2.531 . 0 0 "[ .]" 1
670 1 85 ILE HA 1 86 ILE HB 4.300 2.600 6.000 4.856 4.804 4.964 . 0 0 "[ .]" 1
671 1 85 ILE HA 1 86 ILE QG 3.500 . 4.900 3.202 2.988 3.319 . 0 0 "[ .]" 1
672 1 85 ILE HA 1 111 LYS QB 4.600 . 6.400 5.916 5.874 6.004 . 0 0 "[ .]" 1
673 1 85 ILE HB 1 110 VAL HA 2.900 . 4.100 4.280 4.238 4.302 0.202 3 0 "[ .]" 1
674 1 85 ILE HB 1 110 VAL QG 2.500 . 3.500 3.244 3.164 3.339 . 0 0 "[ .]" 1
675 1 85 ILE MD 1 110 VAL QG 3.100 . 4.300 4.327 4.267 4.393 0.093 2 0 "[ .]" 1
676 1 85 ILE QG 1 85 ILE MG 2.600 . 3.600 2.428 2.297 2.510 . 0 0 "[ .]" 1
677 1 85 ILE MG 1 86 ILE H 3.200 . 4.200 1.790 1.697 2.001 . 0 0 "[ .]" 1
678 1 85 ILE MG 1 87 VAL MG2 2.400 . 3.400 2.322 1.928 2.631 . 0 0 "[ .]" 1
679 1 85 ILE MG 1 110 VAL HA 3.100 . 4.400 5.001 4.873 5.082 0.682 3 4 "[- +**]" 1
680 1 85 ILE MG 1 110 VAL HB 4.000 . 5.600 3.666 3.490 3.776 . 0 0 "[ .]" 1
681 1 85 ILE MG 1 110 VAL QG 3.600 . 5.000 3.693 3.515 3.862 . 0 0 "[ .]" 1
682 1 86 ILE H 1 86 ILE MD 3.600 . 3.800 3.922 3.890 3.951 0.151 4 0 "[ .]" 1
683 1 86 ILE H 1 86 ILE QG 4.100 . 4.500 2.438 2.306 2.551 . 0 0 "[ .]" 1
684 1 86 ILE H 1 86 ILE MG 4.100 . 5.700 3.956 3.928 4.005 . 0 0 "[ .]" 1
685 1 86 ILE H 1 87 VAL MG2 4.600 . 6.400 3.675 3.552 3.878 . 0 0 "[ .]" 1
686 1 86 ILE H 1 111 LYS QB 4.600 . 6.400 4.964 4.905 5.032 . 0 0 "[ .]" 1
687 1 86 ILE HA 1 86 ILE HB 2.800 . 3.900 3.044 3.027 3.051 . 0 0 "[ .]" 1
688 1 86 ILE HA 1 86 ILE MD 3.500 . 4.900 3.934 3.911 3.971 . 0 0 "[ .]" 1
689 1 86 ILE HA 1 86 ILE MG 2.600 . 3.700 2.268 2.184 2.316 . 0 0 "[ .]" 1
690 1 86 ILE HA 1 87 VAL H 2.600 . 3.500 2.133 2.126 2.140 . 0 0 "[ .]" 1
691 1 86 ILE HA 1 111 LYS QB 4.000 . 5.600 2.321 2.220 2.559 . 0 0 "[ .]" 1
692 1 86 ILE HA 1 112 ASP HA 3.800 2.300 5.300 5.079 4.450 5.355 0.055 3 0 "[ .]" 1
693 1 86 ILE HA 1 113 ILE QG 4.500 . 6.300 3.985 3.847 4.356 . 0 0 "[ .]" 1
694 1 86 ILE HB 1 86 ILE MG 2.300 . 3.200 2.251 2.223 2.299 . 0 0 "[ .]" 1
695 1 86 ILE HB 1 87 VAL H 4.400 2.600 6.200 4.289 4.186 4.348 . 0 0 "[ .]" 1
696 1 86 ILE HB 1 111 LYS QB 4.300 . 6.000 4.327 4.189 4.396 . 0 0 "[ .]" 1
697 1 86 ILE HB 1 113 ILE MD 3.200 . 4.500 3.939 3.173 4.620 0.120 1 0 "[ .]" 1
698 1 86 ILE HB 1 113 ILE QG 3.900 . 5.500 3.958 3.451 4.602 . 0 0 "[ .]" 1
699 1 86 ILE MD 1 111 LYS QB 2.600 . 3.600 3.691 3.440 3.805 0.205 5 0 "[ .]" 1
700 1 86 ILE QG 1 111 LYS HA 3.600 . 5.100 5.229 5.180 5.336 0.236 1 0 "[ .]" 1
701 1 86 ILE QG 1 111 LYS QE 3.400 . 4.800 3.946 3.311 4.596 . 0 0 "[ .]" 1
702 1 86 ILE MG 1 87 VAL H 3.100 . 4.400 2.947 2.842 3.065 . 0 0 "[ .]" 1
703 1 86 ILE MG 1 111 LYS QB . . 3.500 2.107 2.015 2.227 . 0 0 "[ .]" 1
704 1 86 ILE MG 1 113 ILE MD 3.500 . 4.900 1.988 1.858 2.128 . 0 0 "[ .]" 1
705 1 87 VAL H 1 87 VAL HB 3.400 . 4.400 2.587 2.474 2.677 . 0 0 "[ .]" 1
706 1 87 VAL H 1 87 VAL MG1 3.300 . 4.600 3.965 3.920 3.982 . 0 0 "[ .]" 1
707 1 87 VAL H 1 87 VAL MG2 2.900 . 3.800 2.577 2.516 2.648 . 0 0 "[ .]" 1
708 1 87 VAL H 1 88 GLY H 3.600 2.100 5.100 4.483 4.468 4.507 . 0 0 "[ .]" 1
709 1 87 VAL H 1 112 ASP H 3.900 2.300 5.500 4.647 4.512 4.744 . 0 0 "[ .]" 1
710 1 87 VAL H 1 112 ASP HA 3.700 2.200 5.200 3.458 2.962 3.708 . 0 0 "[ .]" 1
711 1 87 VAL H 1 113 ILE MD 4.000 . 5.600 4.853 4.237 5.186 . 0 0 "[ .]" 1
712 1 87 VAL H 1 113 ILE QG 4.200 . 4.300 3.697 3.420 4.037 . 0 0 "[ .]" 1
713 1 87 VAL HA 1 87 VAL MG1 2.800 . 3.900 2.426 2.365 2.507 . 0 0 "[ .]" 1
714 1 87 VAL HA 1 87 VAL MG2 2.900 . 4.100 2.588 2.523 2.651 . 0 0 "[ .]" 1
715 1 87 VAL HA 1 88 GLY H 2.800 . 3.500 2.428 2.284 2.560 . 0 0 "[ .]" 1
716 1 87 VAL HA 1 113 ILE H 3.600 2.100 5.100 4.497 4.409 4.579 . 0 0 "[ .]" 1
717 1 87 VAL HB 1 112 ASP HA 3.200 . 4.500 3.326 3.040 3.549 . 0 0 "[ .]" 1
718 1 87 VAL HB 1 113 ILE H 4.200 2.500 5.900 4.426 4.291 4.516 . 0 0 "[ .]" 1
719 1 87 VAL MG1 1 88 GLY H 3.300 . 4.100 1.918 1.723 2.343 . 0 0 "[ .]" 1
720 1 87 VAL MG2 1 88 GLY H 3.800 . 5.300 3.935 3.773 4.052 . 0 0 "[ .]" 1
721 1 87 VAL MG2 1 110 VAL H 4.800 . 6.700 5.474 5.178 5.910 . 0 0 "[ .]" 1
722 1 87 VAL MG2 1 110 VAL HA 4.000 . 5.600 4.490 4.179 4.974 . 0 0 "[ .]" 1
723 1 87 VAL MG2 1 110 VAL QG 2.500 . 3.500 2.063 1.932 2.179 . 0 0 "[ .]" 1
724 1 87 VAL MG2 1 113 ILE QG 4.100 . 5.700 5.226 4.969 5.719 0.019 5 0 "[ .]" 1
725 1 88 GLY H 1 89 CYS HA 4.300 2.600 6.000 4.594 4.526 4.650 . 0 0 "[ .]" 1
726 1 88 GLY H 1 112 ASP HA 3.800 2.300 5.300 4.417 4.105 4.608 . 0 0 "[ .]" 1
727 1 88 GLY H 1 113 ILE H 3.900 2.300 5.500 3.893 3.812 4.004 . 0 0 "[ .]" 1
728 1 88 GLY H 1 113 ILE HB 4.200 2.500 5.900 4.477 4.249 4.736 . 0 0 "[ .]" 1
729 1 88 GLY H 1 113 ILE MD 4.600 . 6.300 5.854 5.424 6.156 . 0 0 "[ .]" 1
730 1 88 GLY HA2 1 89 CYS H 2.900 . 4.100 2.247 2.171 2.498 . 0 0 "[ .]" 1
731 1 88 GLY HA2 1 113 ILE MD 4.600 . 6.400 5.166 4.844 5.363 . 0 0 "[ .]" 1
732 1 88 GLY HA2 1 114 VAL H 4.200 2.500 5.900 5.137 4.971 5.326 . 0 0 "[ .]" 1
733 1 88 GLY HA3 1 89 CYS H . 2.300 3.800 2.943 2.604 3.056 . 0 0 "[ .]" 1
734 1 88 GLY HA3 1 113 ILE H 4.800 2.900 6.700 2.727 2.641 2.848 0.259 1 0 "[ .]" 1
735 1 88 GLY HA3 1 113 ILE MD 4.100 . 5.700 4.679 4.137 5.064 . 0 0 "[ .]" 1
736 1 88 GLY HA3 1 113 ILE MG 4.500 . 6.300 3.953 3.809 4.070 . 0 0 "[ .]" 1
737 1 88 GLY HA3 1 114 VAL QG 3.500 . 4.900 5.162 5.083 5.272 0.372 4 0 "[ .]" 1
738 1 91 SER HA 1 91 SER QB 2.500 . 3.200 2.310 2.198 2.466 . 0 0 "[ .]" 1
739 1 91 SER HA 1 92 GLY H 4.100 2.500 5.700 2.324 2.311 2.337 0.189 1 0 "[ .]" 1
740 1 91 SER QB 1 92 GLY H 4.300 . 6.000 2.726 2.538 3.352 . 0 0 "[ .]" 1
741 1 92 GLY H 1 92 GLY HA2 2.700 . 3.800 2.832 2.430 2.992 . 0 0 "[ .]" 1
742 1 92 GLY H 1 92 GLY HA3 2.900 . 4.000 2.603 2.378 2.984 . 0 0 "[ .]" 1
743 1 92 GLY H 1 93 GLY H 3.900 2.400 5.400 4.328 3.661 4.651 . 0 0 "[ .]" 1
744 1 92 GLY HA2 1 93 GLY H 3.200 . 4.500 2.390 2.118 2.570 . 0 0 "[ .]" 1
745 1 92 GLY HA2 1 94 ARG H 4.200 2.500 5.900 4.232 3.778 4.557 . 0 0 "[ .]" 1
746 1 92 GLY HA2 1 95 SER H 4.500 2.700 6.300 3.845 3.267 4.732 . 0 0 "[ .]" 1
747 1 92 GLY HA2 1 95 SER QB 3.600 . 4.900 3.859 2.973 4.975 0.075 5 0 "[ .]" 1
748 1 92 GLY HA3 1 93 GLY H 4.300 2.600 6.000 2.760 2.523 3.238 0.077 3 0 "[ .]" 1
749 1 92 GLY HA3 1 94 ARG H 3.300 . 4.600 4.179 3.139 4.728 0.128 4 0 "[ .]" 1
750 1 92 GLY HA3 1 95 SER H 4.200 2.500 5.900 4.170 3.193 4.619 . 0 0 "[ .]" 1
751 1 92 GLY HA3 1 96 ILE H 4.100 2.400 5.800 4.967 4.389 5.574 . 0 0 "[ .]" 1
752 1 93 GLY H 1 94 ARG H 3.900 2.400 5.400 3.388 2.676 3.918 . 0 0 "[ .]" 1
753 1 93 GLY HA2 1 96 ILE MG 4.200 . 5.900 2.768 2.225 3.170 . 0 0 "[ .]" 1
754 1 93 GLY HA2 1 97 LYS QD 3.900 . 5.500 5.503 5.229 5.640 0.140 2 0 "[ .]" 1
755 1 93 GLY HA3 1 94 ARG H 3.800 2.300 5.300 2.599 2.374 2.947 . 0 0 "[ .]" 1
756 1 93 GLY HA3 1 96 ILE MG 4.200 . 5.900 3.866 3.099 4.455 . 0 0 "[ .]" 1
757 1 94 ARG H 1 95 SER H 2.700 . 3.800 2.583 2.510 2.666 . 0 0 "[ .]" 1
758 1 94 ARG HA 1 97 LYS H 4.300 2.600 6.000 3.847 3.258 4.133 . 0 0 "[ .]" 1
759 1 95 SER H 1 95 SER QB 3.600 . 5.000 2.412 2.228 2.621 . 0 0 "[ .]" 1
760 1 95 SER H 1 96 ILE H 3.400 . 4.800 2.364 2.263 2.652 . 0 0 "[ .]" 1
761 1 95 SER H 1 96 ILE MG 4.700 . 6.600 4.565 4.255 5.047 . 0 0 "[ .]" 1
762 1 95 SER H 1 97 LYS QE 4.700 . 6.600 5.843 4.970 6.639 0.039 3 0 "[ .]" 1
763 1 95 SER HA 1 96 ILE H 4.400 2.600 6.200 3.474 3.444 3.514 . 0 0 "[ .]" 1
764 1 95 SER HA 1 98 ALA H 4.100 2.500 5.700 3.179 2.997 3.322 . 0 0 "[ .]" 1
765 1 95 SER HA 1 98 ALA MB 2.500 . 3.500 2.488 2.114 3.080 . 0 0 "[ .]" 1
766 1 95 SER HA 1 99 THR MG 4.200 . 5.900 4.568 3.342 5.909 0.009 5 0 "[ .]" 1
767 1 95 SER QB 1 98 ALA MB 3.700 . 5.200 3.895 3.536 4.461 . 0 0 "[ .]" 1
768 1 96 ILE H 1 96 ILE HA 3.000 . 3.800 2.849 2.830 2.867 . 0 0 "[ .]" 1
769 1 96 ILE H 1 96 ILE HB 2.800 . 3.200 2.145 2.033 2.343 . 0 0 "[ .]" 1
770 1 96 ILE H 1 96 ILE MD 4.400 . 6.200 3.910 2.646 4.287 . 0 0 "[ .]" 1
771 1 96 ILE H 1 96 ILE QG 4.100 . 5.200 3.783 3.582 3.947 . 0 0 "[ .]" 1
772 1 96 ILE H 1 96 ILE MG 2.700 . 3.100 2.985 2.669 3.366 0.266 1 0 "[ .]" 1
773 1 96 ILE H 1 97 LYS H 2.900 . 4.000 2.720 2.595 2.821 . 0 0 "[ .]" 1
774 1 96 ILE H 1 97 LYS QG 4.100 . 5.700 4.078 3.645 4.623 . 0 0 "[ .]" 1
775 1 96 ILE H 1 98 ALA H 3.700 2.200 5.200 4.073 3.795 4.391 . 0 0 "[ .]" 1
776 1 96 ILE HA 1 96 ILE HB 2.500 . 3.500 2.743 2.594 2.886 . 0 0 "[ .]" 1
777 1 96 ILE HA 1 96 ILE MD 2.400 . 3.400 2.875 2.261 3.764 0.364 4 0 "[ .]" 1
778 1 96 ILE HA 1 96 ILE QG 3.300 . 4.600 2.297 2.175 2.373 . 0 0 "[ .]" 1
779 1 96 ILE HA 1 96 ILE MG 3.400 . 4.800 3.213 3.105 3.280 . 0 0 "[ .]" 1
780 1 96 ILE HA 1 97 LYS H 4.300 2.600 6.000 3.543 3.504 3.571 . 0 0 "[ .]" 1
781 1 96 ILE HA 1 99 THR H . 2.500 3.800 3.517 3.441 3.636 . 0 0 "[ .]" 1
782 1 96 ILE HB 1 96 ILE MD 2.500 . 3.500 2.692 2.271 3.299 . 0 0 "[ .]" 1
783 1 96 ILE HB 1 97 LYS H 4.600 2.800 6.400 3.454 3.066 3.863 . 0 0 "[ .]" 1
784 1 96 ILE MD 1 96 ILE MG 2.200 . 3.100 2.421 1.965 3.349 0.249 1 0 "[ .]" 1
785 1 96 ILE MD 1 97 LYS QG 4.200 . 5.900 5.105 4.277 5.962 0.062 4 0 "[ .]" 1
786 1 96 ILE MD 1 112 ASP QB 3.400 . 4.800 3.088 2.406 4.258 . 0 0 "[ .]" 1
787 1 96 ILE QG 1 96 ILE MG 2.400 . 3.400 2.255 2.165 2.327 . 0 0 "[ .]" 1
788 1 96 ILE QG 1 97 LYS HA 3.700 . 5.200 4.986 4.197 5.494 0.294 3 0 "[ .]" 1
789 1 96 ILE MG 1 97 LYS H 2.900 . 3.900 2.036 1.887 2.205 . 0 0 "[ .]" 1
790 1 96 ILE MG 1 97 LYS HA 3.900 . 5.400 3.055 3.024 3.129 . 0 0 "[ .]" 1
791 1 96 ILE MG 1 97 LYS QE 3.900 . 5.500 5.000 4.566 5.269 . 0 0 "[ .]" 1
792 1 96 ILE MG 1 97 LYS QG 2.900 . 4.100 2.763 2.132 3.567 . 0 0 "[ .]" 1
793 1 97 LYS H 1 97 LYS QB . . 3.500 2.501 2.277 2.804 . 0 0 "[ .]" 1
794 1 97 LYS H 1 97 LYS QD 4.100 . 5.700 3.588 3.529 3.650 . 0 0 "[ .]" 1
795 1 97 LYS H 1 97 LYS QG 4.200 . 4.500 2.130 1.656 2.635 . 0 0 "[ .]" 1
796 1 97 LYS H 1 98 ALA H 2.600 . 3.600 2.560 2.462 2.685 . 0 0 "[ .]" 1
797 1 97 LYS HA 1 97 LYS QB 2.600 . 3.600 2.304 2.204 2.461 . 0 0 "[ .]" 1
798 1 97 LYS HA 1 97 LYS QD 3.300 . 4.600 4.240 4.098 4.377 . 0 0 "[ .]" 1
799 1 97 LYS HA 1 97 LYS QE 4.300 . 6.000 4.813 4.004 5.591 . 0 0 "[ .]" 1
800 1 97 LYS HA 1 97 LYS QG 2.800 . 3.900 2.897 2.291 3.296 . 0 0 "[ .]" 1
801 1 97 LYS HA 1 98 ALA H 3.400 2.100 4.700 3.522 3.488 3.546 . 0 0 "[ .]" 1
802 1 97 LYS QB 1 97 LYS QE 3.700 . 5.200 2.676 1.924 3.664 . 0 0 "[ .]" 1
803 1 97 LYS QB 1 98 ALA H . . 3.900 3.047 2.464 3.511 . 0 0 "[ .]" 1
804 1 97 LYS QB 1 99 THR H 4.600 . 6.400 4.908 4.484 5.193 . 0 0 "[ .]" 1
805 1 97 LYS QD 1 97 LYS QE 2.100 . 2.900 2.043 1.988 2.090 . 0 0 "[ .]" 1
806 1 97 LYS QE 1 97 LYS QG 2.900 . 3.900 2.433 2.111 2.911 . 0 0 "[ .]" 1
807 1 97 LYS QE 1 98 ALA HA 3.500 . 4.900 4.941 4.299 5.505 0.605 5 1 "[ +]" 1
808 1 97 LYS QE 1 98 ALA MB 3.600 . 5.000 4.318 3.557 5.153 0.153 5 0 "[ .]" 1
809 1 97 LYS QG 1 98 ALA H 4.700 . 5.500 2.870 1.837 4.213 . 0 0 "[ .]" 1
810 1 98 ALA H 1 98 ALA MB 2.900 . 3.100 2.270 2.167 2.381 . 0 0 "[ .]" 1
811 1 98 ALA H 1 99 THR H 2.600 . 3.600 2.627 2.562 2.781 . 0 0 "[ .]" 1
812 1 98 ALA H 1 99 THR HA 4.300 2.600 6.000 5.330 5.285 5.440 . 0 0 "[ .]" 1
813 1 98 ALA HA 1 98 ALA MB 2.400 . 3.400 2.288 2.279 2.294 . 0 0 "[ .]" 1
814 1 98 ALA HA 1 99 THR MG 4.400 . 6.200 5.387 4.971 5.793 . 0 0 "[ .]" 1
815 1 98 ALA HA 1 102 LEU HG 4.500 2.700 6.300 6.148 4.798 6.559 0.259 5 0 "[ .]" 1
816 1 98 ALA MB 1 99 THR H 2.600 . 3.600 2.685 2.476 2.918 . 0 0 "[ .]" 1
817 1 98 ALA MB 1 99 THR MG 2.700 . 3.800 3.573 3.033 3.908 0.108 1 0 "[ .]" 1
818 1 99 THR H 1 99 THR HB 4.200 . 5.900 3.401 3.243 3.534 . 0 0 "[ .]" 1
819 1 99 THR H 1 99 THR MG 3.200 . 4.500 2.944 2.517 3.223 . 0 0 "[ .]" 1
820 1 99 THR HA 1 99 THR MG 2.800 . 3.900 2.318 2.265 2.370 . 0 0 "[ .]" 1
821 1 99 THR HA 1 102 LEU QB 3.600 . 5.000 2.487 2.218 3.164 . 0 0 "[ .]" 1
822 1 99 THR MG 1 102 LEU QB 2.700 . 3.800 3.803 3.681 3.939 0.139 4 0 "[ .]" 1
823 1 99 THR MG 1 103 LEU QB 3.600 . 4.900 4.880 4.611 4.971 0.071 2 0 "[ .]" 1
824 1 102 LEU HA 1 102 LEU MD1 3.500 . 4.900 3.507 3.060 3.944 . 0 0 "[ .]" 1
825 1 102 LEU HA 1 102 LEU MD2 2.400 . 3.400 2.352 2.130 2.897 . 0 0 "[ .]" 1
826 1 102 LEU HA 1 102 LEU HG 4.000 . 5.600 3.370 2.272 3.712 . 0 0 "[ .]" 1
827 1 102 LEU HA 1 105 ALA H 3.500 2.100 4.900 3.452 3.096 3.785 . 0 0 "[ .]" 1
828 1 102 LEU HA 1 105 ALA MB 3.000 . 4.200 3.241 2.448 4.205 0.005 4 0 "[ .]" 1
829 1 102 LEU QB 1 103 LEU H 2.900 . 4.100 2.618 2.556 2.788 . 0 0 "[ .]" 1
830 1 102 LEU QB 1 107 PHE QB 3.700 . 5.200 4.750 2.479 5.600 0.400 4 0 "[ .]" 1
831 1 102 LEU MD1 1 102 LEU MD2 2.100 . 2.900 2.059 1.960 2.161 . 0 0 "[ .]" 1
832 1 102 LEU MD1 1 103 LEU H 4.200 . 5.900 3.728 2.686 4.910 . 0 0 "[ .]" 1
833 1 102 LEU MD2 1 103 LEU H 4.700 . 6.600 4.196 3.761 4.533 . 0 0 "[ .]" 1
834 1 102 LEU MD2 1 103 LEU QB 3.800 . 5.300 5.305 4.677 5.627 0.327 1 0 "[ .]" 1
835 1 102 LEU MD2 1 105 ALA H 4.600 . 6.500 4.274 3.762 4.847 . 0 0 "[ .]" 1
836 1 102 LEU MD2 1 105 ALA MB 3.600 . 5.000 3.435 2.168 4.732 . 0 0 "[ .]" 1
837 1 102 LEU HG 1 103 LEU HA 4.000 2.400 5.600 5.686 5.442 6.030 0.430 1 0 "[ .]" 1
838 1 103 LEU H 1 103 LEU HA 2.800 . 3.900 2.887 2.848 2.924 . 0 0 "[ .]" 1
839 1 103 LEU H 1 103 LEU QB 2.900 . 4.000 2.218 2.137 2.412 . 0 0 "[ .]" 1
840 1 103 LEU H 1 103 LEU MD1 . . 4.300 3.371 2.058 4.464 0.164 4 0 "[ .]" 1
841 1 103 LEU H 1 104 HIS H 2.700 . 3.800 2.578 2.426 2.725 . 0 0 "[ .]" 1
842 1 103 LEU HA 1 103 LEU QB 2.300 . 3.200 2.407 2.264 2.516 . 0 0 "[ .]" 1
843 1 103 LEU HA 1 103 LEU MD1 2.300 . 3.200 3.020 2.226 3.909 0.709 3 1 "[ + .]" 1
844 1 103 LEU HA 1 106 GLY H 4.100 2.500 5.700 3.347 2.940 3.787 . 0 0 "[ .]" 1
845 1 103 LEU QB 1 103 LEU MD1 2.600 . 3.700 2.311 2.070 2.475 . 0 0 "[ .]" 1
846 1 103 LEU QB 1 104 HIS H 3.400 . 4.800 2.764 2.618 2.933 . 0 0 "[ .]" 1
847 1 103 LEU QB 1 104 HIS QB 4.400 . 6.200 4.345 4.041 4.640 . 0 0 "[ .]" 1
848 1 103 LEU QB 1 107 PHE HA 3.900 . 5.400 5.369 5.085 5.535 0.135 3 0 "[ .]" 1
849 1 103 LEU MD1 1 104 HIS H 4.500 . 6.300 4.489 4.121 4.883 . 0 0 "[ .]" 1
850 1 103 LEU MD1 1 105 ALA H 4.600 . 6.400 5.623 5.005 6.273 . 0 0 "[ .]" 1
851 1 103 LEU MD1 1 107 PHE QB 3.600 . 5.000 3.364 2.166 4.709 . 0 0 "[ .]" 1
852 1 104 HIS H 1 104 HIS HA 2.500 . 3.500 2.877 2.843 2.901 . 0 0 "[ .]" 1
853 1 104 HIS H 1 104 HIS QB 2.800 . 3.100 2.318 2.266 2.497 . 0 0 "[ .]" 1
854 1 104 HIS H 1 105 ALA H 2.600 . 3.700 2.595 2.515 2.704 . 0 0 "[ .]" 1
855 1 104 HIS H 1 105 ALA MB 4.500 . 6.300 4.467 4.293 4.697 . 0 0 "[ .]" 1
856 1 104 HIS HA 1 104 HIS QB 2.300 . 3.200 2.405 2.372 2.466 . 0 0 "[ .]" 1
857 1 104 HIS HA 1 105 ALA H 3.700 2.200 5.200 3.468 3.411 3.514 . 0 0 "[ .]" 1
858 1 104 HIS HA 1 106 GLY H 3.200 . 4.500 3.851 3.422 4.268 . 0 0 "[ .]" 1
859 1 104 HIS QB 1 105 ALA H . . 3.900 2.811 2.612 3.029 . 0 0 "[ .]" 1
860 1 105 ALA H 1 105 ALA MB 2.600 . 2.900 2.441 2.158 2.685 . 0 0 "[ .]" 1
861 1 105 ALA H 1 106 GLY HA3 4.400 2.600 6.200 4.787 4.115 5.280 . 0 0 "[ .]" 1
862 1 105 ALA HA 1 105 ALA MB 2.200 . 3.100 2.275 2.223 2.299 . 0 0 "[ .]" 1
863 1 105 ALA HA 1 106 GLY HA3 4.300 2.600 6.000 4.725 4.569 4.928 . 0 0 "[ .]" 1
864 1 105 ALA MB 1 106 GLY H 3.400 . 4.700 3.321 3.004 3.728 . 0 0 "[ .]" 1
865 1 106 GLY H 1 106 GLY HA2 2.900 . 3.800 2.714 2.516 2.951 . 0 0 "[ .]" 1
866 1 106 GLY H 1 106 GLY HA3 2.800 . 3.500 2.881 2.694 3.002 . 0 0 "[ .]" 1
867 1 106 GLY H 1 107 PHE H 2.400 . 3.300 2.165 1.784 2.830 . 0 0 "[ .]" 1
868 1 106 GLY HA2 1 107 PHE H 4.200 2.500 5.900 3.060 2.316 3.541 0.184 1 0 "[ .]" 1
869 1 106 GLY HA3 1 107 PHE H 3.800 2.300 4.500 3.139 2.487 3.525 . 0 0 "[ .]" 1
870 1 106 GLY HA3 1 107 PHE HA 3.600 2.200 5.000 4.566 4.505 4.668 . 0 0 "[ .]" 1
871 1 106 GLY HA3 1 108 THR MG 4.700 . 6.600 5.600 4.508 6.675 0.075 5 0 "[ .]" 1
872 1 107 PHE H 1 107 PHE QB . . 3.700 2.616 2.342 2.767 . 0 0 "[ .]" 1
873 1 107 PHE H 1 108 THR HB 3.100 . 4.300 4.331 3.907 4.549 0.249 5 0 "[ .]" 1
874 1 107 PHE HA 1 108 THR H 2.500 . 3.100 2.684 2.344 3.116 0.016 3 0 "[ .]" 1
875 1 107 PHE HA 1 108 THR HA 4.500 2.700 6.300 4.617 4.463 4.734 . 0 0 "[ .]" 1
876 1 107 PHE HA 1 108 THR MG 3.300 . 4.600 4.042 3.572 4.502 . 0 0 "[ .]" 1
877 1 107 PHE HA 1 109 GLY H 4.500 2.700 6.300 6.440 6.348 6.519 0.219 3 0 "[ .]" 1
878 1 107 PHE QB 1 108 THR H 3.700 . 5.200 3.279 2.447 3.963 . 0 0 "[ .]" 1
879 1 107 PHE QB 1 110 VAL QG 3.300 . 4.500 3.845 2.865 4.401 . 0 0 "[ .]" 1
880 1 108 THR H 1 108 THR HA 3.000 . 4.200 2.929 2.868 2.996 . 0 0 "[ .]" 1
881 1 108 THR H 1 108 THR HB 4.200 . 5.900 3.208 2.692 3.554 . 0 0 "[ .]" 1
882 1 108 THR H 1 108 THR MG 2.600 . 3.300 2.224 1.840 2.689 . 0 0 "[ .]" 1
883 1 108 THR H 1 109 GLY H 2.800 . 3.900 4.254 4.033 4.430 0.530 1 1 "[+ .]" 1
884 1 108 THR HA 1 108 THR HB 2.200 . 3.100 2.437 2.312 2.489 . 0 0 "[ .]" 1
885 1 108 THR HA 1 108 THR MG 2.100 . 3.000 3.301 3.258 3.340 0.340 2 0 "[ .]" 1
886 1 108 THR HA 1 109 GLY H 4.300 2.600 5.500 2.721 2.263 3.083 0.337 4 0 "[ .]" 1
887 1 108 THR HB 1 108 THR MG 2.100 . 3.000 2.262 2.246 2.276 . 0 0 "[ .]" 1
888 1 108 THR HB 1 109 GLY HA3 4.800 2.900 6.700 5.646 5.560 5.701 . 0 0 "[ .]" 1
889 1 108 THR MG 1 109 GLY H 4.500 . 6.300 2.960 2.140 3.774 . 0 0 "[ .]" 1
890 1 109 GLY H 1 110 VAL H 2.700 . 3.800 2.305 2.201 2.374 . 0 0 "[ .]" 1
891 1 109 GLY H 1 110 VAL QG 4.700 . 6.600 3.492 3.401 3.579 . 0 0 "[ .]" 1
892 1 109 GLY HA2 1 110 VAL H 4.300 2.600 4.500 3.033 3.003 3.068 . 0 0 "[ .]" 1
893 1 109 GLY HA2 1 110 VAL QG 4.500 . 6.300 3.916 3.887 3.946 . 0 0 "[ .]" 1
894 1 109 GLY HA3 1 110 VAL H 4.100 2.500 4.600 3.429 3.409 3.444 . 0 0 "[ .]" 1
895 1 110 VAL H 1 110 VAL HB 4.000 . 4.500 3.893 3.865 3.920 . 0 0 "[ .]" 1
896 1 110 VAL H 1 110 VAL QG 2.800 . 2.900 2.344 2.254 2.379 . 0 0 "[ .]" 1
897 1 110 VAL HA 1 110 VAL HB 3.000 . 4.200 2.238 2.232 2.246 . 0 0 "[ .]" 1
898 1 110 VAL HA 1 110 VAL QG 2.900 . 4.000 2.722 2.712 2.732 . 0 0 "[ .]" 1
899 1 110 VAL MG1 1 110 VAL MG2 1.900 . 2.700 2.113 2.053 2.191 . 0 0 "[ .]" 1
900 1 110 VAL QG 1 111 LYS QB 3.000 . 4.200 3.854 3.694 4.127 . 0 0 "[ .]" 1
901 1 110 VAL QG 1 112 ASP H 3.200 . 4.500 4.153 4.003 4.340 . 0 0 "[ .]" 1
902 1 110 VAL QG 1 112 ASP HA 3.800 . 5.300 3.637 3.546 3.788 . 0 0 "[ .]" 1
903 1 110 VAL QG 1 112 ASP QB 3.300 . 4.600 4.306 3.975 4.595 . 0 0 "[ .]" 1
904 1 111 LYS HA 1 112 ASP H 2.600 . 3.600 2.240 2.179 2.320 . 0 0 "[ .]" 1
905 1 111 LYS QB 1 112 ASP H 4.600 . 4.600 2.776 2.583 2.943 . 0 0 "[ .]" 1
906 1 111 LYS QB 1 113 ILE QG 4.100 . 4.200 3.406 3.216 3.586 . 0 0 "[ .]" 1
907 1 112 ASP H 1 112 ASP QB 2.900 . 3.200 2.410 2.346 2.541 . 0 0 "[ .]" 1
908 1 112 ASP H 1 113 ILE QG 3.800 . 5.300 4.370 4.128 4.598 . 0 0 "[ .]" 1
909 1 112 ASP HA 1 112 ASP QB 2.600 . 3.600 2.469 2.389 2.546 . 0 0 "[ .]" 1
910 1 112 ASP HA 1 113 ILE H 2.700 . 3.500 2.136 2.126 2.146 . 0 0 "[ .]" 1
911 1 112 ASP HA 1 113 ILE QG 4.300 . 6.000 3.614 3.469 3.851 . 0 0 "[ .]" 1
912 1 112 ASP HA 1 113 ILE MG 3.400 . 4.800 5.518 5.482 5.538 0.738 5 5 [-***+] 1
913 1 112 ASP QB 1 113 ILE H 4.000 . 4.900 3.576 3.211 3.877 . 0 0 "[ .]" 1
914 1 113 ILE H 1 113 ILE HB 3.700 . 3.800 2.579 2.417 2.751 . 0 0 "[ .]" 1
915 1 113 ILE H 1 113 ILE MD 4.400 . 4.800 3.798 3.005 4.118 . 0 0 "[ .]" 1
916 1 113 ILE H 1 113 ILE QG . . 4.000 2.282 1.953 2.484 . 0 0 "[ .]" 1
917 1 113 ILE H 1 113 ILE MG . . 4.200 3.880 3.840 3.904 . 0 0 "[ .]" 1
918 1 113 ILE H 1 114 VAL H 3.800 2.300 5.300 4.527 4.456 4.576 . 0 0 "[ .]" 1
919 1 113 ILE HA 1 113 ILE MD 4.000 . 5.600 3.078 2.157 3.881 . 0 0 "[ .]" 1
920 1 113 ILE HA 1 113 ILE QG 3.600 . 5.000 2.582 2.310 3.119 . 0 0 "[ .]" 1
921 1 113 ILE HA 1 113 ILE MG 2.600 . 3.700 2.235 2.122 2.363 . 0 0 "[ .]" 1
922 1 113 ILE HA 1 114 VAL H 2.500 . 3.200 2.223 2.159 2.307 . 0 0 "[ .]" 1
923 1 113 ILE HB 1 113 ILE MD 2.800 . 3.900 2.976 2.463 3.340 . 0 0 "[ .]" 1
924 1 113 ILE HB 1 113 ILE MG 2.400 . 3.400 2.258 2.195 2.307 . 0 0 "[ .]" 1
925 1 113 ILE MD 1 113 ILE MG 2.300 . 3.200 2.057 1.875 2.380 . 0 0 "[ .]" 1
926 1 113 ILE QG 1 113 ILE MG 3.000 . 4.200 2.567 2.376 2.749 . 0 0 "[ .]" 1
927 1 113 ILE QG 1 114 VAL H 4.500 . 6.300 4.335 4.081 4.561 . 0 0 "[ .]" 1
928 1 113 ILE MG 1 114 VAL H 3.200 . 4.500 2.330 1.987 2.711 . 0 0 "[ .]" 1
929 1 114 VAL H 1 114 VAL HA 2.100 . 2.900 2.983 2.980 2.985 0.085 5 0 "[ .]" 1
930 1 114 VAL H 1 114 VAL HB 2.900 . 3.800 2.424 2.370 2.508 . 0 0 "[ .]" 1
931 1 114 VAL H 1 114 VAL QG 2.600 . 3.100 2.822 2.605 2.935 . 0 0 "[ .]" 1
932 1 114 VAL HA 1 114 VAL QG 2.100 . 3.000 2.131 2.092 2.196 . 0 0 "[ .]" 1
933 1 114 VAL HA 1 115 GLY H 2.100 . 2.900 2.128 2.090 2.166 . 0 0 "[ .]" 1
934 1 114 VAL HA 1 115 GLY HA2 3.800 2.300 5.300 4.448 4.399 4.486 . 0 0 "[ .]" 1
935 1 114 VAL HA 1 116 GLY H 4.400 2.700 6.100 6.044 5.650 6.208 0.108 2 0 "[ .]" 1
936 1 114 VAL HB 1 114 VAL QG 2.200 . 3.100 2.005 1.971 2.040 . 0 0 "[ .]" 1
937 1 114 VAL QG 1 115 GLY HA2 3.600 . 5.100 3.385 3.081 3.658 . 0 0 "[ .]" 1
938 1 114 VAL QG 1 115 GLY HA3 3.900 . 5.500 3.468 3.114 3.925 . 0 0 "[ .]" 1
939 1 115 GLY H 1 115 GLY HA2 2.900 . 3.800 2.466 2.373 2.783 . 0 0 "[ .]" 1
940 1 115 GLY H 1 115 GLY HA3 2.900 . 3.500 2.932 2.901 2.964 . 0 0 "[ .]" 1
941 1 115 GLY H 1 116 GLY H 3.200 . 4.500 4.483 4.251 4.600 0.100 2 0 "[ .]" 1
942 1 115 GLY H 1 116 GLY HA3 4.500 2.700 6.300 5.343 5.264 5.382 . 0 0 "[ .]" 1
943 1 115 GLY HA3 1 119 ALA H 3.700 2.200 5.200 4.757 4.243 5.217 0.017 2 0 "[ .]" 1
944 1 115 GLY HA3 1 119 ALA MB 3.100 . 4.300 4.175 3.238 4.590 0.290 2 0 "[ .]" 1
945 1 116 GLY H 1 117 TYR H 3.900 2.300 5.500 3.715 3.199 4.331 . 0 0 "[ .]" 1
946 1 116 GLY H 1 119 ALA HA 3.700 2.200 5.200 5.197 4.885 5.423 0.223 2 0 "[ .]" 1
947 1 116 GLY HA2 1 117 TYR H 3.800 2.300 5.300 3.268 2.552 3.500 . 0 0 "[ .]" 1
948 1 116 GLY HA2 1 119 ALA H 4.000 2.400 5.600 4.001 3.395 4.741 . 0 0 "[ .]" 1
949 1 116 GLY HA3 1 117 TYR H . 2.300 3.500 2.359 2.171 2.673 0.129 4 0 "[ .]" 1
950 1 116 GLY HA3 1 118 SER H 3.500 2.100 4.900 4.153 3.279 4.894 . 0 0 "[ .]" 1
951 1 117 TYR H 1 117 TYR QB 3.700 . 4.200 2.193 2.187 2.198 . 0 0 "[ .]" 1
952 1 117 TYR H 1 118 SER H 3.000 . 4.200 2.766 2.645 2.898 . 0 0 "[ .]" 1
953 1 117 TYR H 1 118 SER QB 4.000 . 5.600 4.683 4.426 5.097 . 0 0 "[ .]" 1
954 1 117 TYR HA 1 120 TRP H 2.800 . 3.900 3.537 3.284 3.991 0.091 2 0 "[ .]" 1
955 1 117 TYR HA 1 120 TRP QB 2.900 . 4.100 2.721 2.457 3.039 . 0 0 "[ .]" 1
956 1 117 TYR HA 1 121 ALA H 3.700 2.200 5.200 3.911 3.340 4.802 . 0 0 "[ .]" 1
957 1 117 TYR QB 1 118 SER H 3.300 . 4.600 2.419 2.193 2.607 . 0 0 "[ .]" 1
958 1 118 SER H 1 118 SER HA 2.000 . 2.800 2.857 2.839 2.903 0.103 2 0 "[ .]" 1
959 1 118 SER H 1 119 ALA H 2.700 . 3.800 2.653 2.494 2.746 . 0 0 "[ .]" 1
960 1 118 SER H 1 119 ALA MB 4.000 . 5.600 4.341 4.131 4.422 . 0 0 "[ .]" 1
961 1 118 SER HA 1 121 ALA MB 3.500 . 4.900 2.334 2.107 2.474 . 0 0 "[ .]" 1
962 1 118 SER QB 1 119 ALA H 2.700 . 3.800 2.771 2.428 3.445 . 0 0 "[ .]" 1
963 1 119 ALA H 1 119 ALA MB 2.700 . 2.900 2.205 2.111 2.292 . 0 0 "[ .]" 1
964 1 119 ALA H 1 120 TRP H 2.600 . 3.600 2.627 2.593 2.654 . 0 0 "[ .]" 1
965 1 119 ALA H 1 121 ALA H 4.600 2.700 6.500 3.757 3.640 3.915 . 0 0 "[ .]" 1
966 1 119 ALA HA 1 119 ALA MB 2.100 . 2.900 2.241 2.193 2.278 . 0 0 "[ .]" 1
967 1 119 ALA HA 1 120 TRP H 4.400 2.600 6.200 3.540 3.517 3.548 . 0 0 "[ .]" 1
968 1 119 ALA HA 1 121 ALA H 3.500 2.100 4.900 4.166 4.012 4.277 . 0 0 "[ .]" 1
969 1 119 ALA HA 1 122 LYS H 3.600 2.200 4.200 3.263 3.100 3.513 . 0 0 "[ .]" 1
970 1 119 ALA HA 1 122 LYS QB 2.900 . 4.000 2.856 2.286 3.608 . 0 0 "[ .]" 1
971 1 119 ALA HA 1 122 LYS QD 4.100 . 5.700 3.867 3.354 4.443 . 0 0 "[ .]" 1
972 1 119 ALA HA 1 122 LYS QE 4.100 . 5.700 2.570 2.302 3.057 . 0 0 "[ .]" 1
973 1 119 ALA HA 1 123 ASN H 4.100 2.500 5.700 5.027 4.704 5.363 . 0 0 "[ .]" 1
974 1 119 ALA MB 1 120 TRP H 3.600 . 4.200 2.505 2.382 2.578 . 0 0 "[ .]" 1
975 1 119 ALA MB 1 120 TRP HA 4.200 . 5.900 3.887 3.817 3.987 . 0 0 "[ .]" 1
976 1 119 ALA MB 1 122 LYS QB 4.300 . 6.000 3.946 3.528 4.405 . 0 0 "[ .]" 1
977 1 119 ALA MB 1 122 LYS QE 2.300 . 3.200 3.253 2.888 3.446 0.246 3 0 "[ .]" 1
978 1 120 TRP H 1 120 TRP QB 3.600 . 3.800 2.137 2.093 2.233 . 0 0 "[ .]" 1
979 1 120 TRP H 1 121 ALA H 3.000 . 4.200 2.589 2.551 2.675 . 0 0 "[ .]" 1
980 1 120 TRP HA 1 121 ALA H 4.100 2.500 4.900 3.501 3.488 3.516 . 0 0 "[ .]" 1
981 1 120 TRP HA 1 122 LYS QB 3.600 . 5.000 4.383 4.299 4.496 . 0 0 "[ .]" 1
982 1 120 TRP HA 1 123 ASN QB 4.400 . 6.200 3.378 2.810 3.649 . 0 0 "[ .]" 1
983 1 120 TRP QB 1 121 ALA H . . 3.900 2.731 2.680 2.779 . 0 0 "[ .]" 1
984 1 121 ALA H 1 121 ALA HA 3.000 . 4.100 2.856 2.815 2.893 . 0 0 "[ .]" 1
985 1 121 ALA H 1 121 ALA MB 2.500 . 3.100 2.277 2.182 2.416 . 0 0 "[ .]" 1
986 1 121 ALA H 1 122 LYS H 2.800 . 3.900 2.589 2.457 2.721 . 0 0 "[ .]" 1
987 1 121 ALA HA 1 121 ALA MB 2.100 . 3.000 2.252 2.227 2.271 . 0 0 "[ .]" 1
988 1 121 ALA HA 1 122 LYS H 3.500 2.100 4.900 3.479 3.450 3.508 . 0 0 "[ .]" 1
989 1 121 ALA HA 1 123 ASN HA 4.400 2.600 6.200 6.204 6.101 6.316 0.116 5 0 "[ .]" 1
990 1 121 ALA MB 1 122 LYS H 2.900 . 3.400 2.797 2.657 3.065 . 0 0 "[ .]" 1
991 1 121 ALA MB 1 123 ASN H 4.600 . 6.400 4.540 4.298 4.718 . 0 0 "[ .]" 1
992 1 121 ALA MB 1 123 ASN QB 4.500 . 6.300 5.645 5.461 5.956 . 0 0 "[ .]" 1
993 1 122 LYS H 1 122 LYS HA 2.500 . 3.300 2.854 2.847 2.870 . 0 0 "[ .]" 1
994 1 122 LYS H 1 122 LYS QB 2.700 . 3.100 2.347 2.226 2.499 . 0 0 "[ .]" 1
995 1 122 LYS H 1 122 LYS QG 4.100 . 4.200 3.218 2.138 3.966 . 0 0 "[ .]" 1
996 1 122 LYS H 1 123 ASN H 2.300 . 3.200 2.664 2.571 2.714 . 0 0 "[ .]" 1
997 1 122 LYS H 1 123 ASN QB 4.200 . 5.900 4.682 4.522 4.834 . 0 0 "[ .]" 1
998 1 122 LYS HA 1 122 LYS QE 3.800 . 5.300 4.429 4.235 4.665 . 0 0 "[ .]" 1
999 1 122 LYS HA 1 122 LYS QG 3.500 . 4.900 2.309 2.271 2.336 . 0 0 "[ .]" 1
1000 1 122 LYS HA 1 123 ASN H 2.700 . 3.800 3.533 3.483 3.555 . 0 0 "[ .]" 1
1001 1 122 LYS QB 1 122 LYS QE 3.300 . 4.600 2.139 2.041 2.250 . 0 0 "[ .]" 1
1002 1 122 LYS QB 1 123 ASN H 3.800 . 4.400 2.621 2.502 2.862 . 0 0 "[ .]" 1
1003 1 122 LYS QB 1 124 GLY QA 4.500 . 6.300 5.868 5.623 5.973 . 0 0 "[ .]" 1
1004 1 122 LYS QD 1 122 LYS QE 2.100 . 2.900 2.043 1.986 2.095 . 0 0 "[ .]" 1
1005 1 122 LYS QG 1 123 ASN H 4.100 . 5.800 3.950 3.878 4.034 . 0 0 "[ .]" 1
1006 1 122 LYS QG 1 123 ASN HA 4.300 . 6.000 4.822 4.023 5.845 . 0 0 "[ .]" 1
1007 1 123 ASN H 1 123 ASN HA 2.600 . 3.700 2.932 2.862 2.995 . 0 0 "[ .]" 1
1008 1 123 ASN H 1 123 ASN QB 2.800 . 3.200 2.414 2.289 2.548 . 0 0 "[ .]" 1
1009 1 123 ASN H 1 124 GLY H 2.700 . 3.800 2.756 2.623 2.885 . 0 0 "[ .]" 1
1010 1 123 ASN H 1 125 LEU H 3.400 . 4.800 4.535 4.108 4.671 . 0 0 "[ .]" 1
1011 1 123 ASN H 1 125 LEU MD1 4.000 . 5.600 5.339 3.944 5.933 0.333 5 0 "[ .]" 1
1012 1 123 ASN HA 1 124 GLY H 3.200 . 4.500 3.543 3.540 3.545 . 0 0 "[ .]" 1
1013 1 123 ASN HA 1 124 GLY QA 4.200 . 5.900 4.347 4.285 4.424 . 0 0 "[ .]" 1
1014 1 123 ASN HA 1 125 LEU H 4.400 2.700 6.100 4.866 4.175 5.407 . 0 0 "[ .]" 1
1015 1 123 ASN QB 1 124 GLY H 3.600 . 5.000 2.163 1.889 3.169 . 0 0 "[ .]" 1
1016 1 123 ASN QB 1 124 GLY QA 3.200 . 4.500 3.865 3.682 4.447 . 0 0 "[ .]" 1
1017 1 123 ASN QB 1 125 LEU H 3.900 . 5.000 2.832 2.351 3.054 . 0 0 "[ .]" 1
1018 1 123 ASN QB 1 125 LEU MD1 4.100 . 5.500 2.584 2.061 3.050 . 0 0 "[ .]" 1
1019 1 123 ASN QB 1 125 LEU HG 3.400 . 4.800 3.598 2.967 4.210 . 0 0 "[ .]" 1
1020 1 124 GLY H 1 125 LEU H 2.700 . 3.800 2.131 1.857 2.481 . 0 0 "[ .]" 1
1021 1 124 GLY H 1 125 LEU HA 3.100 . 4.300 4.838 4.447 5.212 0.912 2 3 "[-+ *]" 1
1022 1 124 GLY QA 1 125 LEU H 2.800 . 3.900 2.778 2.643 2.878 . 0 0 "[ .]" 1
1023 1 124 GLY QA 1 125 LEU MD1 3.100 . 4.400 4.618 4.532 4.739 0.339 3 0 "[ .]" 1
1024 1 124 GLY QA 1 125 LEU MD2 3.600 . 5.000 4.821 4.551 5.017 0.017 4 0 "[ .]" 1
1025 1 125 LEU H 1 125 LEU QB . . 3.200 2.576 2.529 2.643 . 0 0 "[ .]" 1
1026 1 125 LEU H 1 125 LEU MD1 4.300 . 6.000 3.677 3.131 3.916 . 0 0 "[ .]" 1
1027 1 125 LEU H 1 125 LEU MD2 3.700 . 5.200 4.327 4.224 4.448 . 0 0 "[ .]" 1
1028 1 125 LEU H 1 125 LEU HG . . 3.400 3.028 2.688 3.302 . 0 0 "[ .]" 1
1029 1 125 LEU HA 1 125 LEU QB 2.600 . 3.600 2.405 2.367 2.448 . 0 0 "[ .]" 1
1030 1 125 LEU HA 1 125 LEU MD1 4.100 . 5.700 3.932 3.887 3.972 . 0 0 "[ .]" 1
1031 1 125 LEU HA 1 125 LEU MD2 2.400 . 3.300 2.459 2.298 2.810 . 0 0 "[ .]" 1
1032 1 125 LEU HA 1 125 LEU HG 3.500 . 4.900 2.565 2.470 2.663 . 0 0 "[ .]" 1
1033 1 125 LEU HA 1 126 PRO QB 3.900 . 5.500 4.803 4.622 4.927 . 0 0 "[ .]" 1
1034 1 125 LEU MD1 1 125 LEU MD2 2.300 . 3.200 2.161 2.072 2.285 . 0 0 "[ .]" 1
1035 1 125 LEU MD2 1 126 PRO QB 4.100 . 5.800 5.974 5.518 6.272 0.472 5 0 "[ .]" 1
1036 1 126 PRO HA 1 127 THR H 2.100 . 2.500 2.306 2.168 2.846 0.346 4 0 "[ .]" 1
1037 1 126 PRO HA 1 127 THR HA 4.500 2.700 6.300 4.539 4.461 4.800 . 0 0 "[ .]" 1
1038 1 126 PRO HA 1 127 THR MG 4.500 . 6.300 5.013 3.792 5.583 . 0 0 "[ .]" 1
1039 1 126 PRO QB 1 127 THR H 3.800 . 4.300 3.213 2.054 3.521 . 0 0 "[ .]" 1
1040 1 127 THR H 1 127 THR MG 3.700 . 4.200 3.660 2.853 3.890 . 0 0 "[ .]" 1
1041 1 127 THR HA 1 127 THR HB 2.500 . 3.500 2.876 2.471 3.044 . 0 0 "[ .]" 1
1042 1 127 THR HA 1 127 THR MG 2.700 . 3.800 2.392 2.038 2.620 . 0 0 "[ .]" 1
1043 1 127 THR HA 1 128 LYS H 2.500 . 3.200 2.148 2.135 2.165 . 0 0 "[ .]" 1
1044 1 127 THR HA 1 128 LYS QB 4.400 . 6.200 4.422 4.329 4.628 . 0 0 "[ .]" 1
1045 1 127 THR HB 1 127 THR MG 2.400 . 3.400 2.212 2.174 2.260 . 0 0 "[ .]" 1
1046 1 127 THR HB 1 128 LYS H 2.800 . 3.900 3.947 3.339 4.263 0.363 2 0 "[ .]" 1
1047 1 127 THR MG 1 128 LYS H 3.500 . 3.900 3.139 2.635 4.072 0.172 5 0 "[ .]" 1
1048 1 128 LYS H 1 128 LYS HA 2.900 . 3.800 2.877 2.839 2.973 . 0 0 "[ .]" 1
1049 1 128 LYS H 1 128 LYS QB 3.600 . 3.700 3.235 2.844 3.366 . 0 0 "[ .]" 1
1050 1 128 LYS H 1 129 ALA H 4.600 2.700 6.500 4.240 4.107 4.402 . 0 0 "[ .]" 1
1051 1 128 LYS HA 1 128 LYS QD 3.700 . 5.200 3.672 3.468 3.849 . 0 0 "[ .]" 1
1052 1 128 LYS HA 1 129 ALA H 2.000 . 2.700 2.297 2.189 2.422 . 0 0 "[ .]" 1
1053 1 128 LYS QB 1 128 LYS QE 4.300 . 6.000 3.297 2.230 3.617 . 0 0 "[ .]" 1
1054 1 128 LYS QB 1 128 LYS QG 2.300 . 3.200 2.045 2.027 2.057 . 0 0 "[ .]" 1
1055 1 128 LYS QB 1 129 ALA H 3.400 . 3.500 2.693 2.409 2.961 . 0 0 "[ .]" 1
1056 1 128 LYS QD 1 129 ALA H 4.200 . 5.200 4.896 4.493 5.227 0.027 5 0 "[ .]" 1
1057 1 128 LYS QE 1 128 LYS QG 3.000 . 4.200 2.212 2.082 2.403 . 0 0 "[ .]" 1
1058 1 128 LYS QE 1 129 ALA H 4.400 . 6.200 5.886 5.236 6.191 . 0 0 "[ .]" 1
1059 1 129 ALA H 1 129 ALA HA 2.800 . 3.800 2.471 2.359 2.907 . 0 0 "[ .]" 1
1060 1 129 ALA H 1 129 ALA MB 2.800 . 3.400 2.777 2.155 3.045 . 0 0 "[ .]" 1
1061 1 129 ALA HA 1 129 ALA MB 2.200 . 3.100 2.248 2.200 2.283 . 0 0 "[ .]" 1
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