NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544897 |
2lha   |
17838 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lha
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 1036
_Distance_constraint_stats_list.Viol_count 2269
_Distance_constraint_stats_list.Viol_total 22180.193
_Distance_constraint_stats_list.Viol_max 5.721
_Distance_constraint_stats_list.Viol_rms 0.5970
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2141
_Distance_constraint_stats_list.Viol_average_violations_only 0.9775
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 5.176 1.263 8 4 "[ * -* + 1]"
1 2 LYS 44.517 2.915 3 10 [**+******-]
1 3 LEU 5.903 1.263 8 4 "[ * -* + 1]"
1 4 GLY 26.848 2.117 3 9 "[**+*-** **]"
1 5 ASP 27.954 1.225 3 10 [-*+*******]
1 6 ILE 15.909 1.252 6 10 [****-+****]
1 7 CYS 19.373 2.288 3 10 [**+**-****]
1 8 PHE 101.491 2.713 6 10 [-****+****]
1 9 SER 34.649 2.707 9 10 [*-******+*]
1 10 LEU 33.110 3.593 9 10 [******-*+*]
1 11 ARG 47.334 2.707 9 10 [**-*****+*]
1 12 TYR 9.145 1.584 8 7 "[ ***-* +*1]"
1 13 VAL 30.594 3.181 9 10 [-*******+*]
1 14 PRO 9.604 1.100 10 5 "[- * * * +]"
1 15 THR 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 13.605 2.346 7 9 [-***.*+***]
1 17 GLY 0.000 0.000 . 0 "[ . 1]"
1 18 LYS 31.458 3.713 8 10 [*******+*-]
1 19 LEU 51.013 2.760 8 10 [*-*****+**]
1 20 THR 7.033 1.022 6 4 "[ * *-+ 1]"
1 21 VAL 0.000 0.000 . 0 "[ . 1]"
1 22 VAL 15.667 1.680 2 7 "[*+* *-* *]"
1 23 ILE 53.812 2.181 3 10 [**+*-*****]
1 24 LEU 12.536 1.056 3 10 [**+-******]
1 25 GLU 54.753 2.150 3 10 [**+*-*****]
1 26 ALA 61.182 2.181 3 10 [*-+*******]
1 27 LYS 101.792 2.713 6 10 [-****+****]
1 28 ASN 51.375 4.788 3 10 [**+*******]
1 29 LEU 44.265 3.673 3 10 [*-+*******]
1 30 LYS 30.866 2.370 10 10 [*********+]
1 31 LYS 88.758 3.092 8 10 [***-***+**]
1 32 MET 141.567 5.721 8 10 [****-**+**]
1 33 ASP 27.998 2.880 10 10 [-********+]
1 34 VAL 1.319 0.186 3 0 "[ . 1]"
1 35 GLY 2.688 1.030 10 3 "[ -. * +]"
1 36 GLY 0.659 0.253 8 0 "[ . 1]"
1 37 LEU 97.748 3.419 10 10 [****-****+]
1 38 SER 16.468 1.244 8 6 "[*** .**+ 1]"
1 39 ASP 4.240 0.634 1 3 "[+ . *- 1]"
1 40 PRO 42.177 2.378 2 10 [*+********]
1 41 TYR 22.065 2.299 6 10 [**-**+****]
1 42 VAL 14.304 1.884 2 10 [*+****-***]
1 43 LYS 4.925 0.892 2 3 "[ + . * -]"
1 44 ILE 45.382 3.668 1 10 [+**-******]
1 45 HIS 43.133 2.506 10 10 [****-****+]
1 46 LEU 10.578 1.064 6 9 [***-.+****]
1 47 MET 7.744 0.856 2 4 "[ + - * *]"
1 48 GLN 13.512 1.843 1 8 "[+ **- ****]"
1 49 ASN 11.192 1.330 5 8 "[ *-*+* ***]"
1 50 GLY 17.244 2.504 5 10 [****+****-]
1 51 LYS 17.466 1.400 10 10 [****-****+]
1 52 ARG 2.360 0.696 9 1 "[ . +1]"
1 53 LEU 22.187 3.001 8 10 [****-**+**]
1 54 LYS 34.974 3.001 8 10 [*-*****+**]
1 55 LYS 64.170 3.668 1 10 [+***-*****]
1 56 LYS 13.222 1.564 1 10 [+*******-*]
1 57 LYS 0.000 0.000 . 0 "[ . 1]"
1 58 THR 6.347 1.258 2 7 "[*+**- * *1]"
1 59 THR 0.144 0.072 7 0 "[ . 1]"
1 60 ILE 24.569 1.884 2 10 [*+*-******]
1 61 LYS 107.366 3.615 7 10 [******+**-]
1 62 LYS 16.831 2.002 7 10 [*-****+***]
1 63 ASN 6.040 0.880 7 4 "[*- . +* 1]"
1 64 THR 147.581 5.721 8 10 [******-+**]
1 65 LEU 103.986 4.817 8 10 [******-+**]
1 66 ASN 61.610 2.720 7 10 [*-****+***]
1 67 PRO 31.358 2.002 7 10 [*****-+***]
1 68 TYR 2.976 0.443 3 0 "[ . 1]"
1 69 TYR 20.646 1.320 9 10 [*-******+*]
1 70 ASN 11.620 1.602 3 10 [*-+*******]
1 71 GLU 48.418 1.745 3 10 [**+*-*****]
1 72 SER 16.164 1.258 2 9 [*+***-***1]
1 73 PHE 13.144 1.796 7 10 [******+-**]
1 74 SER 12.586 1.796 7 10 [******+-**]
1 75 PHE 23.230 2.239 6 10 [*-***+****]
1 76 GLU 0.000 0.000 . 0 "[ . 1]"
1 77 VAL 0.790 0.456 10 0 "[ . 1]"
1 78 PRO 46.443 2.663 3 10 [**+*-*****]
1 79 PHE 5.012 0.653 5 2 "[* + 1]"
1 80 GLU 18.912 1.434 6 10 [*****+***-]
1 81 GLN 0.000 0.000 . 0 "[ . 1]"
1 82 ILE 102.082 3.713 8 10 [*******+-*]
1 83 GLN 25.288 2.726 9 10 [-*******+*]
1 84 LYS 13.667 2.327 9 8 "[-****** +1]"
1 85 VAL 27.823 2.504 5 10 [****+*****]
1 86 GLN 18.671 1.400 10 10 [*******-*+]
1 87 VAL 6.911 1.182 2 7 "[*+ * -***]"
1 88 VAL 22.055 2.506 10 10 [*-*******+]
1 89 VAL 1.035 0.297 7 0 "[ . 1]"
1 90 THR 0.147 0.072 4 0 "[ . 1]"
1 91 VAL 44.616 2.364 2 10 [*+*****-**]
1 92 LEU 173.013 5.375 4 10 [**-+******]
1 93 ASP 65.125 2.809 4 10 [***+**-***]
1 94 TYR 5.493 0.592 8 2 "[ . +-1]"
1 95 ASP 5.764 0.592 8 3 "[ * . +*1]"
1 96 LYS 2.260 0.467 9 0 "[ . 1]"
1 97 ILE 0.150 0.066 8 0 "[ . 1]"
1 98 GLY 2.176 0.467 9 0 "[ . 1]"
1 99 LYS 5.860 1.329 3 5 "[**+*. - 1]"
1 100 ASN 5.062 1.329 3 4 "[*-+*. 1]"
1 101 ASP 23.037 2.027 4 10 [**-+******]
1 102 ALA 112.205 3.336 4 10 [***+***-**]
1 103 ILE 57.025 2.678 4 10 [**-+******]
1 104 GLY 8.148 1.465 1 2 "[+ *. 1]"
1 105 LYS 11.320 0.942 5 6 "[ - + ****]"
1 106 VAL 40.020 2.644 4 10 [*-*+******]
1 107 PHE 18.066 2.074 6 9 "[ ****+-***]"
1 108 VAL 28.095 3.159 6 10 [-****+****]
1 109 GLY 10.495 1.054 8 10 [******-+**]
1 110 TYR 23.685 2.726 9 9 "[**-*** *+*]"
1 111 ASN 0.000 0.000 . 0 "[ . 1]"
1 112 SER 0.000 0.000 . 0 "[ . 1]"
1 113 THR 63.046 2.405 9 10 [-*******+*]
1 114 GLY 28.631 2.157 7 10 [******+**-]
1 115 ALA 8.096 1.279 1 5 "[+ .*- **]"
1 116 GLU 5.090 0.698 5 5 "[ -**+ * 1]"
1 117 LEU 25.138 1.930 9 10 [*-******+*]
1 118 ARG 36.329 2.045 7 9 "[** ***+***]"
1 119 HIS 69.904 3.593 9 10 [******-*+*]
1 120 TRP 11.371 1.446 7 10 [******+*-*]
1 121 SER 29.344 2.157 7 10 [**-***+***]
1 122 ASP 3.624 0.641 5 2 "[ + -1]"
1 123 MET 75.549 4.219 2 10 [*+***-****]
1 124 LEU 34.887 1.593 3 10 [**+*-*****]
1 125 ALA 5.657 0.931 10 4 "[ - * *+]"
1 126 ASN 116.201 4.219 2 10 [*+**-*****]
1 127 PRO 0.722 0.225 2 0 "[ . 1]"
1 128 ARG 24.826 2.346 7 9 [-***.*+***]
1 129 ARG 79.646 3.473 6 10 [*****+****]
1 131 ILE 36.419 1.926 8 10 [**-****+**]
1 132 ALA 0.436 0.259 7 0 "[ . 1]"
1 133 GLN 32.014 2.088 9 9 [-***.***+*]
1 134 TRP 6.544 1.179 10 5 "[* * . -*+]"
1 135 HIS 10.424 0.779 2 6 "[ +* **-* 1]"
1 136 THR 0.000 0.000 . 0 "[ . 1]"
1 137 LEU 38.510 1.756 3 10 [**+***-***]
1 138 GLN 42.913 4.788 3 10 [**+****-**]
1 139 VAL 81.040 5.375 4 10 [***+-*****]
1 140 GLU 67.284 4.743 5 10 [-***+*****]
1 141 GLU 7.330 0.920 5 3 "[ * + -]"
1 142 GLU 11.506 1.756 3 10 [**+-******]
1 143 VAL 1.794 0.422 3 0 "[ . 1]"
1 144 ASP 0.000 0.000 . 0 "[ . 1]"
1 145 ALA 0.000 0.000 . 0 "[ . 1]"
1 146 MET 50.657 3.159 6 10 [*****+****]
1 147 LEU 3.245 2.243 10 1 "[ . +]"
1 148 ALA 1.254 0.750 10 1 "[ . +]"
1 149 VAL 8.598 1.585 5 8 "[ ***+ *-**]"
1 150 LYS 43.162 2.243 10 10 [*******-*+]
1 151 LYS 37.149 1.945 8 10 [*****-*+**]
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 1 GLU HA 1 1 GLU HG2 3.400 . 4.800 3.581 2.544 3.855 . 0 0 "[ . 1]" 1
2 1 1 GLU QB 1 1 GLU HG2 2.600 . 3.400 2.198 2.133 2.437 . 0 0 "[ . 1]" 1
3 1 1 GLU QB 1 3 LEU HG 3.000 . 4.100 4.566 3.775 5.363 1.263 8 4 "[ * -* + 1]" 1
4 1 2 LYS H 1 2 LYS HA 1.900 . 2.400 2.261 2.256 2.265 . 0 0 "[ . 1]" 1
5 1 2 LYS H 1 3 LEU HG 3.700 . 5.500 4.452 4.036 5.304 . 0 0 "[ . 1]" 1
6 1 2 LYS HA 1 2 LYS HG2 3.800 . 5.600 2.689 2.273 3.599 . 0 0 "[ . 1]" 1
7 1 2 LYS QB 1 31 LYS HA 4.600 . 6.000 7.983 7.335 8.915 2.915 3 10 [**+**-****] 1
8 1 2 LYS QB 1 31 LYS QE 2.100 . 6.000 7.234 6.565 8.240 2.240 8 10 [*******+*-] 1
9 1 2 LYS QE 1 30 LYS H 6.000 . 6.000 7.209 5.851 8.370 2.370 10 7 "[ ***- **+]" 1
10 1 3 LEU H 1 3 LEU HA 2.800 . 3.800 2.924 2.813 2.948 . 0 0 "[ . 1]" 1
11 1 3 LEU H 1 4 GLY H 2.600 . 3.400 2.585 1.806 3.872 0.472 9 0 "[ . 1]" 1
12 1 3 LEU H 1 28 ASN QB 4.900 . 6.000 4.704 3.926 5.969 . 0 0 "[ . 1]" 1
13 1 3 LEU HB2 1 3 LEU HG 2.700 . 3.600 2.501 2.399 2.580 . 0 0 "[ . 1]" 1
14 1 4 GLY H 1 5 ASP H 3.900 . 5.800 3.920 3.349 4.322 . 0 0 "[ . 1]" 1
15 1 4 GLY H 1 5 ASP HB3 3.600 . 5.200 4.428 3.934 5.254 0.054 3 0 "[ . 1]" 1
16 1 4 GLY H 1 28 ASN QB 3.300 . 4.600 2.841 1.673 4.301 0.327 8 0 "[ . 1]" 1
17 1 4 GLY H 1 28 ASN HD21 4.600 . 6.000 5.724 4.953 6.734 0.734 10 2 "[ - . +]" 1
18 1 4 GLY H 1 29 LEU HA 3.000 . 6.000 6.671 5.380 8.117 2.117 3 6 "[**+-.* *]" 1
19 1 4 GLY H 1 137 LEU QB 2.700 . 6.000 4.073 3.440 4.316 . 0 0 "[ . 1]" 1
20 1 4 GLY QA 1 5 ASP H 3.800 . 5.600 2.120 2.095 2.147 . 0 0 "[ . 1]" 1
21 1 4 GLY QA 1 28 ASN QB 4.600 . 6.000 2.101 1.813 2.308 0.187 3 0 "[ . 1]" 1
22 1 4 GLY QA 1 29 LEU H 4.500 . 6.000 5.870 5.247 6.284 0.284 4 0 "[ . 1]" 1
23 1 4 GLY QA 1 103 ILE H 5.500 . 6.000 6.760 6.386 7.379 1.379 1 7 "[+*-** * *]" 1
24 1 4 GLY QA 1 103 ILE HA 4.700 . 6.000 5.516 5.244 5.739 . 0 0 "[ . 1]" 1
25 1 4 GLY QA 1 137 LEU QB 3.400 . 4.100 1.827 1.713 1.991 0.287 10 0 "[ . 1]" 1
26 1 4 GLY QA 1 139 VAL H 3.900 . 5.800 6.430 6.006 7.324 1.524 3 7 "[ *+ -** **]" 1
27 1 5 ASP H 1 6 ILE H 3.700 . 5.400 3.968 3.859 4.071 . 0 0 "[ . 1]" 1
28 1 5 ASP H 1 27 LYS H 2.800 . 3.800 4.523 3.942 4.944 1.144 7 9 "[-* ***+***]" 1
29 1 5 ASP H 1 27 LYS HA 4.100 . 6.000 6.324 5.688 6.574 0.574 8 1 "[ . + 1]" 1
30 1 5 ASP H 1 27 LYS QB 3.800 . 5.600 5.680 5.012 6.004 0.404 8 0 "[ . 1]" 1
31 1 5 ASP H 1 27 LYS QD 3.400 . 6.000 6.172 5.786 6.347 0.347 10 0 "[ . 1]" 1
32 1 5 ASP H 1 28 ASN QB 2.800 . 3.800 1.863 1.547 2.255 0.253 9 0 "[ . 1]" 1
33 1 5 ASP H 1 29 LEU H 4.300 . 6.000 5.885 5.600 6.216 0.216 8 0 "[ . 1]" 1
34 1 5 ASP H 1 29 LEU HA 2.400 . 6.000 7.079 6.972 7.225 1.225 3 10 [-*+*******] 1
35 1 5 ASP H 1 137 LEU QB 2.500 . 6.000 2.841 2.540 3.678 . 0 0 "[ . 1]" 1
36 1 5 ASP HA 1 6 ILE H 2.500 . 3.300 2.168 2.138 2.195 . 0 0 "[ . 1]" 1
37 1 5 ASP HA 1 135 HIS H 5.700 . 6.000 3.958 3.407 4.469 . 0 0 "[ . 1]" 1
38 1 5 ASP HA 1 135 HIS HA 4.500 . 6.000 5.086 4.894 5.173 . 0 0 "[ . 1]" 1
39 1 5 ASP HA 1 136 THR H 6.000 . 6.000 4.536 4.382 4.890 . 0 0 "[ . 1]" 1
40 1 5 ASP HA 1 136 THR HA 3.900 . 5.800 2.489 2.230 3.057 . 0 0 "[ . 1]" 1
41 1 5 ASP HA 1 137 LEU QB 3.700 . 5.400 3.568 3.342 3.858 . 0 0 "[ . 1]" 1
42 1 5 ASP HA 1 137 LEU HG 3.600 . 5.200 5.184 5.060 5.494 0.294 10 0 "[ . 1]" 1
43 1 5 ASP HB3 1 6 ILE H 3.300 . 4.600 4.288 4.226 4.348 . 0 0 "[ . 1]" 1
44 1 5 ASP HB3 1 27 LYS QB 4.400 . 6.000 3.155 2.712 3.475 . 0 0 "[ . 1]" 1
45 1 5 ASP HB3 1 28 ASN QB 2.800 . 3.800 2.678 2.091 3.683 . 0 0 "[ . 1]" 1
46 1 5 ASP HB3 1 135 HIS H 3.700 . 6.000 5.891 5.433 6.466 0.466 8 0 "[ . 1]" 1
47 1 5 ASP HB3 1 137 LEU H 4.000 . 6.000 4.952 4.690 5.329 . 0 0 "[ . 1]" 1
48 1 6 ILE H 1 7 CYS H 5.300 . 6.000 4.316 4.225 4.365 . 0 0 "[ . 1]" 1
49 1 6 ILE H 1 8 PHE QE 3.200 . 4.500 4.143 3.939 4.443 . 0 0 "[ . 1]" 1
50 1 6 ILE H 1 27 LYS QB 3.500 . 5.000 5.960 5.686 6.252 1.252 6 10 [***-*+****] 1
51 1 6 ILE H 1 28 ASN QB 3.200 . 6.000 5.030 4.764 5.414 . 0 0 "[ . 1]" 1
52 1 6 ILE H 1 135 HIS H 2.600 . 3.400 2.748 2.601 2.994 . 0 0 "[ . 1]" 1
53 1 6 ILE H 1 136 THR HA 4.100 . 6.000 4.221 3.890 4.807 . 0 0 "[ . 1]" 1
54 1 6 ILE H 1 137 LEU H 5.300 . 6.000 5.001 4.823 5.405 . 0 0 "[ . 1]" 1
55 1 6 ILE H 1 137 LEU QB 3.100 . 4.300 4.816 4.645 5.186 0.886 3 4 "[ + - * *]" 1
56 1 6 ILE HA 1 7 CYS H 3.300 . 4.600 2.200 2.158 2.241 . 0 0 "[ . 1]" 1
57 1 6 ILE HA 1 26 ALA HA 2.800 . 3.800 2.244 2.125 2.386 . 0 0 "[ . 1]" 1
58 1 6 ILE HA 1 27 LYS QB 4.500 . 6.000 5.023 4.640 5.171 . 0 0 "[ . 1]" 1
59 1 6 ILE HA 1 28 ASN H 3.700 . 6.000 5.745 4.864 6.472 0.472 6 0 "[ . 1]" 1
60 1 6 ILE HA 1 67 PRO HB2 6.000 . 6.000 5.784 5.487 6.167 0.167 2 0 "[ . 1]" 1
61 1 6 ILE HB 1 8 PHE HB3 3.400 . 4.900 4.854 4.699 4.987 0.087 8 0 "[ . 1]" 1
62 1 6 ILE HB 1 89 VAL HB 4.500 . 6.000 5.186 4.916 5.519 . 0 0 "[ . 1]" 1
63 1 6 ILE HB 1 137 LEU HG 2.300 . 6.000 5.110 4.915 5.241 . 0 0 "[ . 1]" 1
64 1 6 ILE HG13 1 137 LEU H 6.000 . 6.000 5.762 5.602 5.902 . 0 0 "[ . 1]" 1
65 1 7 CYS H 1 7 CYS HA 2.900 . 4.000 2.937 2.921 2.944 . 0 0 "[ . 1]" 1
66 1 7 CYS H 1 8 PHE H 5.700 . 6.000 3.983 3.870 4.076 . 0 0 "[ . 1]" 1
67 1 7 CYS H 1 8 PHE QR 3.900 . 5.800 4.424 4.253 4.790 . 0 0 "[ . 1]" 1
68 1 7 CYS H 1 25 GLU H 3.400 . 4.800 3.747 3.571 3.928 . 0 0 "[ . 1]" 1
69 1 7 CYS H 1 26 ALA HA 3.000 . 6.000 2.495 2.336 2.634 . 0 0 "[ . 1]" 1
70 1 7 CYS H 1 27 LYS H 4.600 . 6.000 4.414 4.153 4.647 . 0 0 "[ . 1]" 1
71 1 7 CYS H 1 27 LYS QE 3.100 . 4.300 5.702 4.925 6.588 2.288 3 10 [*-+*******] 1
72 1 7 CYS H 1 67 PRO HB2 4.100 . 6.000 6.380 6.166 6.662 0.662 2 2 "[ + .- 1]" 1
73 1 7 CYS H 1 135 HIS H 4.200 . 6.000 5.083 4.796 5.534 . 0 0 "[ . 1]" 1
74 1 7 CYS HA 1 134 TRP H 3.500 . 5.000 4.115 3.889 4.521 . 0 0 "[ . 1]" 1
75 1 7 CYS HA 1 135 HIS H 3.200 . 4.500 3.773 3.296 4.393 . 0 0 "[ . 1]" 1
76 1 7 CYS HB2 1 8 PHE H 3.700 . 5.400 4.572 4.427 4.616 . 0 0 "[ . 1]" 1
77 1 7 CYS HB2 1 25 GLU H 2.900 . 4.000 3.986 2.572 4.319 0.319 2 0 "[ . 1]" 1
78 1 7 CYS HB2 1 26 ALA H 3.100 . 6.000 5.353 5.028 5.887 . 0 0 "[ . 1]" 1
79 1 7 CYS HB2 1 27 LYS H 3.200 . 6.000 5.169 4.536 6.060 0.060 6 0 "[ . 1]" 1
80 1 8 PHE H 1 8 PHE HB3 3.800 . 5.600 3.254 3.103 3.355 . 0 0 "[ . 1]" 1
81 1 8 PHE H 1 8 PHE QD 3.300 . 4.600 2.842 2.656 2.942 . 0 0 "[ . 1]" 1
82 1 8 PHE H 1 9 SER H 4.400 . 6.000 4.515 4.494 4.535 . 0 0 "[ . 1]" 1
83 1 8 PHE H 1 9 SER HA 5.400 . 6.000 5.094 5.022 5.174 . 0 0 "[ . 1]" 1
84 1 8 PHE H 1 23 ILE HA 5.200 . 6.000 4.805 4.705 4.932 . 0 0 "[ . 1]" 1
85 1 8 PHE H 1 23 ILE QG 3.500 . 6.000 4.839 4.609 5.127 . 0 0 "[ . 1]" 1
86 1 8 PHE H 1 24 LEU H 3.400 . 4.800 5.092 4.912 5.371 0.571 4 1 "[ +. 1]" 1
87 1 8 PHE H 1 132 ALA HA 4.100 . 6.000 4.524 4.271 4.650 . 0 0 "[ . 1]" 1
88 1 8 PHE H 1 133 GLN QB 3.100 . 4.300 4.954 4.262 5.314 1.014 6 8 "[-***.+** *]" 1
89 1 8 PHE H 1 135 HIS H 4.200 . 6.000 4.782 4.174 5.559 . 0 0 "[ . 1]" 1
90 1 8 PHE HA 1 8 PHE QD 3.300 . 4.700 3.695 3.680 3.714 . 0 0 "[ . 1]" 1
91 1 8 PHE HA 1 22 VAL HB 5.400 . 6.000 5.730 5.210 6.191 0.191 4 0 "[ . 1]" 1
92 1 8 PHE HA 1 25 GLU HA 2.500 . 6.000 6.964 6.704 7.163 1.163 10 10 [*-*******+] 1
93 1 8 PHE HA 1 133 GLN QB 3.900 . 6.000 6.736 5.917 7.122 1.122 7 8 "[-***.*+* *]" 1
94 1 8 PHE HB3 1 22 VAL HA 2.900 . 6.000 6.190 5.926 6.395 0.395 5 0 "[ . 1]" 1
95 1 8 PHE HB3 1 25 GLU H 1.900 . 6.000 6.273 5.939 6.697 0.697 6 2 "[ .+ -]" 1
96 1 8 PHE QR 1 10 LEU HG 4.300 . 6.000 3.904 3.598 4.669 . 0 0 "[ . 1]" 1
97 1 8 PHE QR 1 23 ILE H 6.000 . 6.000 6.419 6.179 6.624 0.624 5 3 "[ *+ -1]" 1
98 1 8 PHE QR 1 26 ALA H 3.500 . 6.000 7.885 7.601 8.091 2.091 6 10 [-****+****] 1
99 1 8 PHE QD 1 25 GLU H 1.600 . 6.000 6.675 6.439 6.985 0.985 6 8 "[* ***+ *-*]" 1
100 1 8 PHE QE 1 26 ALA HA 4.400 . 6.000 7.357 7.141 7.566 1.566 6 10 [*****+-***] 1
101 1 8 PHE QE 1 27 LYS H 3.800 . 5.600 8.089 7.773 8.313 2.713 6 10 [***-*+****] 1
102 1 8 PHE QE 1 135 HIS H 3.200 . 4.500 4.369 3.802 5.091 0.591 6 1 "[ .+ 1]" 1
103 1 9 SER H 1 9 SER QB 3.300 . 4.700 2.816 2.645 2.977 . 0 0 "[ . 1]" 1
104 1 9 SER H 1 11 ARG QD 2.700 . 6.000 7.643 6.694 8.707 2.707 9 10 [*******-+*] 1
105 1 9 SER H 1 22 VAL H 3.400 . 4.800 3.430 3.264 3.567 . 0 0 "[ . 1]" 1
106 1 9 SER H 1 22 VAL HA 4.500 . 6.000 4.725 4.570 4.836 . 0 0 "[ . 1]" 1
107 1 9 SER H 1 23 ILE HA 3.700 . 5.400 3.026 2.887 3.173 . 0 0 "[ . 1]" 1
108 1 9 SER H 1 23 ILE QG 3.600 . 5.200 4.106 3.826 4.259 . 0 0 "[ . 1]" 1
109 1 9 SER H 1 24 LEU H 3.500 . 5.000 3.574 3.331 3.837 . 0 0 "[ . 1]" 1
110 1 9 SER H 1 131 ILE H 6.000 . 6.000 6.633 6.174 7.098 1.098 7 7 "[*-**. +* *]" 1
111 1 9 SER H 1 132 ALA H 4.700 . 6.000 5.957 5.758 6.259 0.259 7 0 "[ . 1]" 1
112 1 9 SER H 1 133 GLN QB 2.700 . 6.000 6.849 5.950 7.331 1.331 7 8 "[-***.*+* *]" 1
113 1 9 SER HA 1 9 SER QB 3.400 . 4.900 2.218 2.177 2.270 . 0 0 "[ . 1]" 1
114 1 9 SER HA 1 10 LEU H 2.800 . 3.800 2.112 2.091 2.127 . 0 0 "[ . 1]" 1
115 1 9 SER HA 1 133 GLN QB 4.500 . 6.000 4.995 4.231 5.444 . 0 0 "[ . 1]" 1
116 1 9 SER QB 1 10 LEU QB 4.700 . 6.000 4.883 4.804 4.947 . 0 0 "[ . 1]" 1
117 1 9 SER QB 1 132 ALA HA 4.300 . 6.000 3.019 2.797 3.354 . 0 0 "[ . 1]" 1
118 1 9 SER QB 1 133 GLN H 2.200 . 6.000 4.890 4.678 5.201 . 0 0 "[ . 1]" 1
119 1 9 SER QB 1 133 GLN QB 4.300 . 6.000 6.240 5.703 6.619 0.619 2 1 "[ + . 1]" 1
120 1 10 LEU H 1 10 LEU QB 2.800 . 3.800 2.385 2.152 2.447 . 0 0 "[ . 1]" 1
121 1 10 LEU H 1 119 HIS HD1 3.700 . 5.400 6.462 6.017 6.944 1.544 9 10 [********+-] 1
122 1 10 LEU H 1 131 ILE H 3.800 . 5.600 3.682 3.158 4.623 . 0 0 "[ . 1]" 1
123 1 10 LEU H 1 132 ALA HA 4.700 . 6.000 3.622 3.417 3.855 . 0 0 "[ . 1]" 1
124 1 10 LEU HA 1 10 LEU QB 5.000 . 6.000 2.345 2.323 2.368 . 0 0 "[ . 1]" 1
125 1 10 LEU HA 1 11 ARG H 2.300 . 3.000 2.165 2.152 2.186 . 0 0 "[ . 1]" 1
126 1 10 LEU HA 1 22 VAL H 2.500 . 6.000 4.181 3.918 4.448 . 0 0 "[ . 1]" 1
127 1 10 LEU HA 1 119 HIS HE1 4.100 . 6.000 7.971 6.936 9.593 3.593 9 10 [-*******+*] 1
128 1 10 LEU HA 1 124 LEU HG 3.600 . 5.200 4.599 4.316 5.194 . 0 0 "[ . 1]" 1
129 1 10 LEU QB 1 11 ARG H 4.000 . 6.000 3.256 3.033 3.437 . 0 0 "[ . 1]" 1
130 1 10 LEU QB 1 117 LEU HA 3.700 . 6.000 6.262 5.847 6.551 0.551 7 1 "[ . + 1]" 1
131 1 10 LEU HG 1 124 LEU HG 3.300 . 4.700 3.664 3.415 3.918 . 0 0 "[ . 1]" 1
132 1 11 ARG H 1 11 ARG HA 2.900 . 4.000 2.882 2.846 2.922 . 0 0 "[ . 1]" 1
133 1 11 ARG H 1 12 TYR H 5.200 . 6.000 4.320 4.237 4.403 . 0 0 "[ . 1]" 1
134 1 11 ARG H 1 20 THR H 3.300 . 4.700 3.961 3.706 4.173 . 0 0 "[ . 1]" 1
135 1 11 ARG H 1 20 THR HB 3.100 . 4.300 4.763 4.140 5.322 1.022 6 4 "[ * *-+ 1]" 1
136 1 11 ARG H 1 123 MET QB 3.600 . 5.200 4.866 4.589 5.178 . 0 0 "[ . 1]" 1
137 1 11 ARG H 1 131 ILE H 5.900 . 6.000 5.629 5.235 5.928 . 0 0 "[ . 1]" 1
138 1 11 ARG HA 1 12 TYR H 2.400 . 3.100 2.279 2.240 2.325 . 0 0 "[ . 1]" 1
139 1 11 ARG HA 1 20 THR H 3.700 . 5.400 5.603 5.377 5.773 0.373 1 0 "[ . 1]" 1
140 1 11 ARG HA 1 126 ASN QB 3.500 . 6.000 7.691 7.423 8.086 2.086 9 10 [********+-] 1
141 1 11 ARG QB 1 11 ARG QG 3.000 . 4.100 2.022 2.018 2.025 . 0 0 "[ . 1]" 1
142 1 11 ARG QB 1 124 LEU H 3.800 . 5.600 5.974 5.760 6.379 0.779 9 3 "[ * - +1]" 1
143 1 11 ARG QB 1 124 LEU QB 3.700 . 5.400 4.188 4.016 4.439 . 0 0 "[ . 1]" 1
144 1 11 ARG QG 1 131 ILE H 3.300 . 4.600 4.934 4.526 5.828 1.228 9 3 "[ - * +1]" 1
145 1 12 TYR H 1 13 VAL H 4.600 . 6.000 4.480 4.445 4.504 . 0 0 "[ . 1]" 1
146 1 12 TYR H 1 128 ARG H 3.400 . 4.900 4.713 4.572 4.966 0.066 9 0 "[ . 1]" 1
147 1 12 TYR HA 1 12 TYR QE 4.200 . 6.000 4.485 4.316 4.588 . 0 0 "[ . 1]" 1
148 1 12 TYR HA 1 13 VAL H 2.500 . 3.300 2.298 2.216 2.344 . 0 0 "[ . 1]" 1
149 1 12 TYR HA 1 20 THR HA 4.100 . 6.000 5.808 5.536 6.040 0.040 6 0 "[ . 1]" 1
150 1 12 TYR HA 1 128 ARG HA 5.100 . 6.000 4.688 4.509 4.806 . 0 0 "[ . 1]" 1
151 1 12 TYR HB2 1 12 TYR QE 4.700 . 6.000 4.474 4.448 4.493 . 0 0 "[ . 1]" 1
152 1 12 TYR HB2 1 13 VAL H 4.700 . 6.000 4.004 3.941 4.082 . 0 0 "[ . 1]" 1
153 1 12 TYR HB2 1 20 THR H 3.800 . 5.600 5.151 4.762 5.522 . 0 0 "[ . 1]" 1
154 1 12 TYR QD 1 82 ILE HB 3.300 . 4.600 5.434 4.331 6.184 1.584 8 7 "[ ***-* +*1]" 1
155 1 12 TYR QD 1 125 ALA H 3.800 . 6.000 5.673 5.376 5.833 . 0 0 "[ . 1]" 1
156 1 12 TYR QD 1 126 ASN H 2.800 . 6.000 4.289 3.934 4.650 . 0 0 "[ . 1]" 1
157 1 12 TYR QE 1 19 LEU HA 5.400 . 6.000 3.684 3.331 3.838 . 0 0 "[ . 1]" 1
158 1 12 TYR QE 1 20 THR H 4.300 . 6.000 5.860 5.532 6.096 0.096 2 0 "[ . 1]" 1
159 1 12 TYR QE 1 80 GLU H 5.600 . 6.000 5.889 5.648 6.056 0.056 9 0 "[ . 1]" 1
160 1 13 VAL H 1 13 VAL HB 2.600 . 3.400 2.653 2.551 2.774 . 0 0 "[ . 1]" 1
161 1 13 VAL H 1 14 PRO HD2 3.500 . 5.000 4.484 4.340 4.617 . 0 0 "[ . 1]" 1
162 1 13 VAL H 1 16 ALA H 5.900 . 6.000 5.429 5.273 5.604 . 0 0 "[ . 1]" 1
163 1 13 VAL H 1 18 LYS H 2.900 . 4.000 3.222 3.050 3.519 . 0 0 "[ . 1]" 1
164 1 13 VAL H 1 18 LYS QG 3.800 . 5.600 3.846 3.615 4.034 . 0 0 "[ . 1]" 1
165 1 13 VAL H 1 20 THR H 4.500 . 6.000 4.537 4.295 4.797 . 0 0 "[ . 1]" 1
166 1 13 VAL H 1 82 ILE HB 3.100 . 6.000 8.382 7.089 9.181 3.181 9 10 [-*******+*] 1
167 1 13 VAL H 1 124 LEU HA 3.800 . 5.600 5.901 5.769 6.028 0.428 9 0 "[ . 1]" 1
168 1 13 VAL H 1 128 ARG HA 3.800 . 5.600 5.386 5.140 5.596 . 0 0 "[ . 1]" 1
169 1 13 VAL HA 1 128 ARG H 4.000 . 6.000 6.291 5.992 6.644 0.644 3 2 "[- + . 1]" 1
170 1 13 VAL HA 1 128 ARG HA 3.200 . 4.400 4.409 4.121 4.742 0.342 3 0 "[ . 1]" 1
171 1 13 VAL HB 1 16 ALA H 3.200 . 4.400 3.876 3.688 4.141 . 0 0 "[ . 1]" 1
172 1 13 VAL HB 1 18 LYS H 2.300 . 6.000 2.909 2.641 3.167 . 0 0 "[ . 1]" 1
173 1 14 PRO HA 1 18 LYS H 3.700 . 5.400 4.318 3.917 4.540 . 0 0 "[ . 1]" 1
174 1 14 PRO HA 1 79 PHE H 3.400 . 6.000 6.129 5.347 6.653 0.653 5 2 "[- + 1]" 1
175 1 14 PRO QB 1 18 LYS H 4.900 . 6.000 5.839 5.543 6.009 0.009 3 0 "[ . 1]" 1
176 1 14 PRO QB 1 128 ARG H 4.300 . 6.000 6.368 5.755 7.100 1.100 10 3 "[ - . * +]" 1
177 1 14 PRO HD2 1 18 LYS QG 3.400 . 6.000 6.339 6.109 6.495 0.495 4 0 "[ . 1]" 1
178 1 15 THR HA 1 15 THR HB 2.900 . 4.000 2.870 2.697 2.972 . 0 0 "[ . 1]" 1
179 1 15 THR HB 1 16 ALA H 3.400 . 4.900 3.382 2.846 3.994 . 0 0 "[ . 1]" 1
180 1 16 ALA H 1 16 ALA HA 2.800 . 3.800 2.933 2.914 2.948 . 0 0 "[ . 1]" 1
181 1 16 ALA H 1 17 GLY H 2.400 . 3.100 1.821 1.741 1.981 . 0 0 "[ . 1]" 1
182 1 16 ALA H 1 17 GLY QA 4.100 . 6.000 3.755 3.629 3.970 . 0 0 "[ . 1]" 1
183 1 16 ALA H 1 18 LYS HB3 4.700 . 6.000 6.050 5.742 6.276 0.276 4 0 "[ . 1]" 1
184 1 16 ALA H 1 18 LYS QG 2.300 . 6.000 3.936 3.398 4.237 . 0 0 "[ . 1]" 1
185 1 16 ALA H 1 128 ARG QD 3.800 . 6.000 7.258 6.451 8.346 2.346 7 9 [-***.*+***] 1
186 1 16 ALA HA 1 17 GLY H 2.700 . 3.600 3.459 3.377 3.534 . 0 0 "[ . 1]" 1
187 1 16 ALA HA 1 18 LYS QG 2.800 . 6.000 4.852 4.690 5.269 . 0 0 "[ . 1]" 1
188 1 17 GLY H 1 18 LYS H 3.100 . 4.300 2.592 2.433 2.864 . 0 0 "[ . 1]" 1
189 1 17 GLY H 1 18 LYS QG 2.900 . 3.900 3.291 2.941 3.533 . 0 0 "[ . 1]" 1
190 1 17 GLY QA 1 18 LYS H 2.500 . 3.300 2.509 2.415 2.571 . 0 0 "[ . 1]" 1
191 1 17 GLY QA 1 18 LYS HA 6.000 . 6.000 3.969 3.955 3.983 . 0 0 "[ . 1]" 1
192 1 17 GLY QA 1 79 PHE H 5.100 . 6.000 4.328 4.132 4.528 . 0 0 "[ . 1]" 1
193 1 18 LYS H 1 18 LYS HA 2.700 . 3.600 2.887 2.879 2.899 . 0 0 "[ . 1]" 1
194 1 18 LYS H 1 18 LYS HE2 5.200 . 6.000 5.897 5.603 6.120 0.120 10 0 "[ . 1]" 1
195 1 18 LYS H 1 18 LYS QG 2.200 . 2.800 2.393 2.311 2.482 . 0 0 "[ . 1]" 1
196 1 18 LYS H 1 77 VAL H 3.600 . 5.300 4.737 4.350 5.102 . 0 0 "[ . 1]" 1
197 1 18 LYS H 1 78 PRO HA 4.300 . 6.000 6.032 5.385 6.723 0.723 9 2 "[- . +1]" 1
198 1 18 LYS H 1 82 ILE HB 2.600 . 6.000 8.480 6.577 9.713 3.713 8 10 [*******+*-] 1
199 1 18 LYS HA 1 18 LYS QG 3.200 . 4.500 3.340 3.319 3.352 . 0 0 "[ . 1]" 1
200 1 18 LYS HA 1 19 LEU H 2.200 . 2.800 2.265 2.217 2.319 . 0 0 "[ . 1]" 1
201 1 18 LYS HA 1 77 VAL H 3.300 . 4.700 2.149 1.892 2.460 0.008 3 0 "[ . 1]" 1
202 1 18 LYS HB3 1 18 LYS QG 3.200 . 4.500 2.395 2.340 2.435 . 0 0 "[ . 1]" 1
203 1 19 LEU H 1 19 LEU HA 2.600 . 3.400 2.895 2.854 2.924 . 0 0 "[ . 1]" 1
204 1 19 LEU H 1 75 PHE H 2.900 . 4.000 2.927 2.595 3.345 . 0 0 "[ . 1]" 1
205 1 19 LEU H 1 75 PHE HB3 2.800 . 3.800 3.193 2.895 3.512 . 0 0 "[ . 1]" 1
206 1 19 LEU H 1 76 GLU H 5.400 . 6.000 4.717 4.483 4.949 . 0 0 "[ . 1]" 1
207 1 19 LEU H 1 77 VAL H 3.600 . 5.200 3.394 3.086 3.782 . 0 0 "[ . 1]" 1
208 1 19 LEU H 1 82 ILE HB 3.100 . 6.000 7.574 5.526 8.760 2.760 8 7 "[ -**** +*1]" 1
209 1 19 LEU HA 1 82 ILE HB 5.200 . 6.000 7.131 5.508 8.054 2.054 8 7 "[ -**** +*1]" 1
210 1 19 LEU HG 1 78 PRO QD 4.300 . 6.000 8.238 7.974 8.663 2.663 3 10 [**+******-] 1
211 1 19 LEU HG 1 124 LEU QB 2.600 . 6.000 3.384 2.929 3.726 . 0 0 "[ . 1]" 1
212 1 20 THR H 1 20 THR HB 3.200 . 4.500 3.005 2.923 3.306 . 0 0 "[ . 1]" 1
213 1 20 THR H 1 21 VAL H 5.400 . 6.000 3.509 2.984 3.923 . 0 0 "[ . 1]" 1
214 1 20 THR H 1 75 PHE H 3.000 . 6.000 5.066 4.770 5.423 . 0 0 "[ . 1]" 1
215 1 20 THR H 1 75 PHE HB3 4.600 . 6.000 5.680 5.341 6.039 0.039 7 0 "[ . 1]" 1
216 1 20 THR HA 1 21 VAL H 2.600 . 3.400 2.270 2.138 2.573 . 0 0 "[ . 1]" 1
217 1 20 THR HA 1 73 PHE H 3.600 . 5.200 4.006 3.753 4.198 . 0 0 "[ . 1]" 1
218 1 20 THR HA 1 74 SER HA 3.100 . 4.300 2.615 2.178 3.028 . 0 0 "[ . 1]" 1
219 1 20 THR HA 1 75 PHE H 3.600 . 5.300 4.053 3.575 4.723 . 0 0 "[ . 1]" 1
220 1 20 THR HB 1 21 VAL H 4.600 . 6.000 4.409 4.293 4.495 . 0 0 "[ . 1]" 1
221 1 20 THR HB 1 22 VAL H 3.900 . 5.800 5.238 4.872 5.510 . 0 0 "[ . 1]" 1
222 1 21 VAL H 1 21 VAL HB 2.800 . 3.800 2.593 2.533 2.628 . 0 0 "[ . 1]" 1
223 1 21 VAL H 1 72 SER HA 5.000 . 6.000 4.779 4.552 5.015 . 0 0 "[ . 1]" 1
224 1 21 VAL H 1 73 PHE H 3.100 . 4.300 3.170 2.904 3.516 . 0 0 "[ . 1]" 1
225 1 21 VAL H 1 73 PHE HB2 3.300 . 4.700 3.131 2.870 3.676 . 0 0 "[ . 1]" 1
226 1 21 VAL H 1 74 SER H 4.200 . 6.000 5.047 4.781 5.398 . 0 0 "[ . 1]" 1
227 1 21 VAL H 1 74 SER HA 4.400 . 6.000 3.918 3.581 4.570 . 0 0 "[ . 1]" 1
228 1 22 VAL H 1 22 VAL HA 3.000 . 4.100 2.934 2.925 2.943 . 0 0 "[ . 1]" 1
229 1 22 VAL H 1 23 ILE H 5.300 . 6.000 4.276 4.056 4.435 . 0 0 "[ . 1]" 1
230 1 22 VAL H 1 23 ILE HA 3.500 . 5.000 4.960 4.814 5.029 0.029 8 0 "[ . 1]" 1
231 1 22 VAL H 1 23 ILE QG 3.700 . 5.400 4.742 4.585 4.926 . 0 0 "[ . 1]" 1
232 1 22 VAL HA 1 72 SER H 3.000 . 4.200 4.677 4.507 4.808 0.608 2 3 "[ + *- 1]" 1
233 1 22 VAL HA 1 73 PHE H 4.500 . 6.000 3.390 2.999 3.636 . 0 0 "[ . 1]" 1
234 1 22 VAL HB 1 71 GLU HA 3.600 . 5.200 5.972 5.295 6.880 1.680 2 6 "[*+* * * -]" 1
235 1 22 VAL HB 1 73 PHE H 5.300 . 6.000 5.838 5.215 6.253 0.253 2 0 "[ . 1]" 1
236 1 23 ILE H 1 70 ASN H 4.300 . 6.000 5.533 5.324 5.835 . 0 0 "[ . 1]" 1
237 1 23 ILE H 1 71 GLU H 3.600 . 5.200 3.151 2.908 3.827 . 0 0 "[ . 1]" 1
238 1 23 ILE H 1 71 GLU QB 2.900 . 3.900 3.952 3.627 4.171 0.271 3 0 "[ . 1]" 1
239 1 23 ILE H 1 72 SER HB3 4.700 . 6.000 5.924 5.430 6.497 0.497 2 0 "[ . 1]" 1
240 1 23 ILE HA 1 23 ILE HB 2.200 . 6.000 3.025 3.023 3.027 . 0 0 "[ . 1]" 1
241 1 23 ILE HA 1 71 GLU QB 3.200 . 4.500 6.042 5.817 6.245 1.745 3 10 [**+******-] 1
242 1 23 ILE HB 1 24 LEU H 4.800 . 6.000 4.364 4.283 4.450 . 0 0 "[ . 1]" 1
243 1 23 ILE HB 1 25 GLU H 3.500 . 5.100 5.728 5.459 6.133 1.033 3 9 "[**+ -*****]" 1
244 1 23 ILE HB 1 26 ALA H 3.900 . 6.000 7.735 7.410 8.181 2.181 3 10 [**+**-****] 1
245 1 23 ILE HB 1 70 ASN H 3.900 . 5.800 4.600 4.440 4.755 . 0 0 "[ . 1]" 1
246 1 23 ILE QG 1 71 GLU QB 2.800 . 3.700 4.585 4.169 4.899 1.199 3 9 [-*+******1] 1
247 1 24 LEU H 1 24 LEU HA 2.900 . 4.000 2.853 2.818 2.887 . 0 0 "[ . 1]" 1
248 1 24 LEU H 1 25 GLU H 2.600 . 3.400 2.809 2.650 2.921 . 0 0 "[ . 1]" 1
249 1 24 LEU H 1 25 GLU HA 5.000 . 6.000 5.045 4.964 5.131 . 0 0 "[ . 1]" 1
250 1 24 LEU H 1 71 GLU QB 3.500 . 6.000 6.961 6.877 7.056 1.056 3 10 [**+**-****] 1
251 1 25 GLU H 1 25 GLU HA 3.000 . 4.200 2.904 2.872 2.942 . 0 0 "[ . 1]" 1
252 1 25 GLU H 1 27 LYS QE 3.400 . 6.000 7.109 6.089 8.150 2.150 3 8 "[* +-* ****]" 1
253 1 25 GLU H 1 68 TYR HA 4.400 . 6.000 4.854 4.695 5.106 . 0 0 "[ . 1]" 1
254 1 25 GLU HA 1 26 ALA H 2.900 . 3.900 2.551 2.398 2.664 . 0 0 "[ . 1]" 1
255 1 25 GLU HA 1 66 ASN QB 4.100 . 6.000 5.147 4.783 6.052 0.052 7 0 "[ . 1]" 1
256 1 25 GLU HA 1 68 TYR HA 3.200 . 4.500 2.200 2.066 2.449 . 0 0 "[ . 1]" 1
257 1 25 GLU HA 1 69 TYR H 3.300 . 4.700 3.641 3.434 3.862 . 0 0 "[ . 1]" 1
258 1 25 GLU HA 1 69 TYR QB 3.500 . 5.000 5.499 5.024 5.724 0.724 9 5 "[ * * -+*]" 1
259 1 25 GLU QB 1 68 TYR HA 3.000 . 4.100 3.150 2.441 3.600 . 0 0 "[ . 1]" 1
260 1 25 GLU QB 1 70 ASN H 3.000 . 4.200 5.362 4.825 5.802 1.602 3 10 [*-+*******] 1
261 1 26 ALA H 1 26 ALA HA 3.000 . 4.100 2.894 2.844 2.942 . 0 0 "[ . 1]" 1
262 1 26 ALA H 1 27 LYS QD 3.200 . 4.400 4.013 3.734 4.373 . 0 0 "[ . 1]" 1
263 1 26 ALA H 1 66 ASN QB 4.900 . 6.000 3.608 3.108 4.721 . 0 0 "[ . 1]" 1
264 1 26 ALA H 1 68 TYR HA 2.800 . 3.800 3.835 3.471 4.137 0.337 9 0 "[ . 1]" 1
265 1 26 ALA H 1 68 TYR HB2 3.300 . 4.700 3.876 3.536 4.295 . 0 0 "[ . 1]" 1
266 1 26 ALA H 1 68 TYR QD 4.600 . 6.000 5.086 4.749 5.384 . 0 0 "[ . 1]" 1
267 1 26 ALA H 1 69 TYR QB 3.000 . 6.000 7.026 6.539 7.320 1.320 9 10 [*-******+*] 1
268 1 26 ALA HA 1 27 LYS H 2.600 . 3.400 2.320 2.205 2.409 . 0 0 "[ . 1]" 1
269 1 26 ALA HA 1 67 PRO QG 4.800 . 6.000 5.180 4.987 5.327 . 0 0 "[ . 1]" 1
270 1 27 LYS H 1 27 LYS QB 2.700 . 3.600 2.715 2.635 2.820 . 0 0 "[ . 1]" 1
271 1 27 LYS H 1 27 LYS QD 3.100 . 4.300 2.374 2.147 2.597 . 0 0 "[ . 1]" 1
272 1 27 LYS H 1 28 ASN HD22 5.400 . 6.000 4.500 4.010 5.078 . 0 0 "[ . 1]" 1
273 1 27 LYS H 1 29 LEU H 4.200 . 6.000 5.246 4.979 5.559 . 0 0 "[ . 1]" 1
274 1 27 LYS H 1 137 LEU QB 3.300 . 6.000 6.938 6.666 7.206 1.206 7 10 [***-**+***] 1
275 1 27 LYS HA 1 27 LYS QB 4.400 . 6.000 2.338 2.314 2.371 . 0 0 "[ . 1]" 1
276 1 27 LYS HA 1 27 LYS QD 3.800 . 5.600 3.206 3.132 3.250 . 0 0 "[ . 1]" 1
277 1 27 LYS HA 1 29 LEU H 3.800 . 5.600 3.768 3.575 4.215 . 0 0 "[ . 1]" 1
278 1 27 LYS QB 1 27 LYS QD 3.800 . 5.600 2.375 2.262 2.462 . 0 0 "[ . 1]" 1
279 1 27 LYS QB 1 135 HIS H 3.900 . 5.800 5.618 5.243 6.051 0.251 9 0 "[ . 1]" 1
280 1 27 LYS QB 1 28 ASN H 3.200 . 4.500 3.861 3.753 3.913 . 0 0 "[ . 1]" 1
281 1 27 LYS QD 1 28 ASN H 3.900 . 5.800 4.806 4.622 4.908 . 0 0 "[ . 1]" 1
282 1 27 LYS QD 1 66 ASN QB 2.800 . 3.800 4.726 4.246 5.741 1.941 7 8 "[***-* +* *]" 1
283 1 27 LYS QD 1 67 PRO QG 4.900 . 6.000 6.452 6.205 6.881 0.881 7 2 "[ . +- 1]" 1
284 1 27 LYS QE 1 134 TRP H 3.100 . 6.000 6.092 5.006 7.179 1.179 10 4 "[- * . *+]" 1
285 1 28 ASN H 1 28 ASN HA 2.400 . 3.100 2.917 2.894 2.943 . 0 0 "[ . 1]" 1
286 1 28 ASN H 1 28 ASN QB 2.900 . 3.900 3.081 2.862 3.238 . 0 0 "[ . 1]" 1
287 1 28 ASN H 1 28 ASN HD22 4.400 . 6.000 3.636 3.054 3.851 . 0 0 "[ . 1]" 1
288 1 28 ASN H 1 29 LEU H 3.100 . 4.300 1.932 1.765 2.358 0.135 2 0 "[ . 1]" 1
289 1 28 ASN H 1 29 LEU HA 4.700 . 6.000 4.575 4.419 5.000 . 0 0 "[ . 1]" 1
290 1 28 ASN H 1 30 LYS HA 4.200 . 6.000 6.185 5.496 7.213 1.213 10 1 "[ . +]" 1
291 1 28 ASN HA 1 28 ASN QB 3.100 . 4.300 2.170 2.164 2.175 . 0 0 "[ . 1]" 1
292 1 28 ASN HA 1 29 LEU H 3.400 . 4.900 3.424 3.239 3.568 . 0 0 "[ . 1]" 1
293 1 28 ASN QB 1 66 ASN QD 3.800 . 6.000 6.642 5.760 7.890 1.890 7 5 "[-***. + 1]" 1
294 1 28 ASN QB 1 138 GLN QE 3.600 . 6.000 9.794 8.434 10.788 4.788 3 10 [**+****-**] 1
295 1 28 ASN HD22 1 29 LEU H 4.200 . 6.000 4.288 3.821 4.929 . 0 0 "[ . 1]" 1
296 1 29 LEU H 1 30 LYS H 3.600 . 5.200 3.795 3.466 4.523 . 0 0 "[ . 1]" 1
297 1 29 LEU H 1 65 LEU HA 3.500 . 5.100 4.324 3.826 4.678 . 0 0 "[ . 1]" 1
298 1 29 LEU H 1 66 ASN HA 3.100 . 4.300 4.083 3.839 4.746 0.446 3 0 "[ . 1]" 1
299 1 29 LEU H 1 66 ASN QD 5.300 . 6.000 5.430 4.108 6.822 0.822 7 3 "[ -* . + 1]" 1
300 1 29 LEU HA 1 38 SER HB2 4.500 . 6.000 4.341 3.988 4.840 . 0 0 "[ . 1]" 1
301 1 29 LEU HB2 1 40 PRO QB 2.700 . 6.000 3.027 1.975 4.043 . 0 0 "[ . 1]" 1
302 1 29 LEU HB2 1 67 PRO HA 3.300 . 6.000 5.410 5.159 5.729 . 0 0 "[ . 1]" 1
303 1 29 LEU HG 1 40 PRO HA 3.700 . 5.400 2.886 2.394 4.017 . 0 0 "[ . 1]" 1
304 1 29 LEU HG 1 41 TYR H 5.300 . 6.000 4.810 4.370 5.659 . 0 0 "[ . 1]" 1
305 1 29 LEU HG 1 64 THR H 4.700 . 6.000 5.256 4.721 5.773 . 0 0 "[ . 1]" 1
306 1 29 LEU HG 1 64 THR HG1 3.300 . 4.700 6.810 5.273 8.373 3.673 3 10 [**+****-**] 1
307 1 30 LYS HA 1 30 LYS QD 2.600 . 3.500 3.798 2.904 4.213 0.713 2 4 "[ + * * -]" 1
308 1 30 LYS HA 1 38 SER HB2 4.000 . 6.000 5.847 5.144 6.520 0.520 8 1 "[ . + 1]" 1
309 1 30 LYS QD 1 31 LYS QE 1.700 . 6.000 4.954 3.501 6.904 0.904 1 3 "[+ * .- 1]" 1
310 1 30 LYS QD 1 31 LYS QG 2.300 . 6.000 3.921 2.315 5.599 . 0 0 "[ . 1]" 1
311 1 30 LYS QD 1 32 MET H 4.000 . 6.000 5.139 4.103 6.321 0.321 4 0 "[ . 1]" 1
312 1 30 LYS QG 1 31 LYS QG 1.600 . 2.200 3.079 2.294 3.944 1.744 9 6 "[* *-.* *+1]" 1
313 1 31 LYS H 1 31 LYS QG 2.600 . 3.500 2.018 1.813 2.181 . 0 0 "[ . 1]" 1
314 1 31 LYS H 1 65 LEU HG 2.300 . 6.000 4.823 2.559 5.649 . 0 0 "[ . 1]" 1
315 1 31 LYS HA 1 31 LYS HB2 3.000 . 4.100 2.543 2.499 2.608 . 0 0 "[ . 1]" 1
316 1 31 LYS HA 1 32 MET H 2.900 . 4.000 2.163 2.120 2.237 . 0 0 "[ . 1]" 1
317 1 31 LYS HA 1 65 LEU HG 2.300 . 2.900 5.221 3.749 5.992 3.092 8 10 [**-****+**] 1
318 1 31 LYS HB2 1 36 GLY HA3 3.900 . 5.800 5.513 5.148 6.043 0.243 10 0 "[ . 1]" 1
319 1 31 LYS HB2 1 36 GLY H 4.400 . 6.000 4.776 4.008 5.796 . 0 0 "[ . 1]" 1
320 1 31 LYS QD 1 33 ASP HA 3.500 . 5.000 6.937 5.750 7.880 2.880 10 10 [*****-***+] 1
321 1 31 LYS QD 1 35 GLY H 3.400 . 4.800 4.693 3.698 5.830 1.030 10 3 "[ -. * +]" 1
322 1 32 MET H 1 32 MET QG 3.300 . 4.700 2.109 1.718 3.263 0.182 6 0 "[ . 1]" 1
323 1 32 MET QB 1 37 LEU H 3.300 . 6.000 7.874 7.043 8.354 2.354 8 10 [*******+-*] 1
324 1 32 MET QB 1 64 THR HB 4.900 . 6.000 11.392 11.132 11.721 5.721 8 10 [******-+**] 1
325 1 32 MET QB 1 65 LEU H 2.800 . 6.000 10.229 9.779 10.817 4.817 8 10 [**-****+**] 1
326 1 32 MET QG 1 33 ASP HA 3.800 . 5.600 3.862 3.256 4.784 . 0 0 "[ . 1]" 1
327 1 32 MET QG 1 37 LEU H 4.400 . 6.000 6.321 5.307 7.400 1.400 10 4 "[ -* * +]" 1
328 1 32 MET QG 1 37 LEU HG 3.300 . 4.700 6.899 5.968 8.119 3.419 10 10 [********-+] 1
329 1 33 ASP H 1 34 VAL H 5.100 . 6.000 4.534 4.373 4.590 . 0 0 "[ . 1]" 1
330 1 33 ASP H 1 36 GLY H 3.900 . 5.800 4.603 4.187 5.152 . 0 0 "[ . 1]" 1
331 1 33 ASP H 1 37 LEU H 3.100 . 4.300 5.034 4.059 5.502 1.202 8 8 "[-** ***+ *]" 1
332 1 33 ASP HB2 1 34 VAL H 3.600 . 5.200 4.065 3.766 4.236 . 0 0 "[ . 1]" 1
333 1 33 ASP HB2 1 36 GLY H 3.500 . 5.000 4.528 3.817 4.814 . 0 0 "[ . 1]" 1
334 1 33 ASP HB2 1 37 LEU HA 3.300 . 4.700 4.737 4.463 5.096 0.396 7 0 "[ . 1]" 1
335 1 34 VAL H 1 34 VAL HB 2.000 . 2.500 2.632 2.572 2.686 0.186 3 0 "[ . 1]" 1
336 1 34 VAL HB 1 35 GLY H 3.500 . 5.000 4.218 2.720 4.434 . 0 0 "[ . 1]" 1
337 1 35 GLY H 1 36 GLY H 3.400 . 4.900 2.427 1.647 2.798 0.253 8 0 "[ . 1]" 1
338 1 36 GLY H 1 36 GLY HA2 2.500 . 3.300 2.931 2.906 2.956 . 0 0 "[ . 1]" 1
339 1 36 GLY H 1 37 LEU H 3.200 . 4.500 4.167 3.485 4.330 . 0 0 "[ . 1]" 1
340 1 36 GLY HA2 1 37 LEU H 3.000 . 4.100 2.874 2.659 3.349 . 0 0 "[ . 1]" 1
341 1 37 LEU H 1 37 LEU HG 4.300 . 6.000 4.258 3.863 4.803 . 0 0 "[ . 1]" 1
342 1 37 LEU H 1 38 SER H 3.200 . 4.500 4.321 4.033 4.461 . 0 0 "[ . 1]" 1
343 1 37 LEU H 1 64 THR H 2.500 . 6.000 6.937 6.444 7.680 1.680 9 9 "[-****** +*]" 1
344 1 37 LEU HA 1 38 SER H 3.000 . 4.100 2.722 2.450 3.152 . 0 0 "[ . 1]" 1
345 1 37 LEU HB2 1 38 SER H 3.800 . 5.600 3.382 3.201 3.650 . 0 0 "[ . 1]" 1
346 1 37 LEU HG 1 38 SER H 2.200 . 2.800 3.388 2.151 4.044 1.244 8 6 "[**- .**+ 1]" 1
347 1 37 LEU HG 1 64 THR H 3.300 . 4.700 5.593 4.665 6.414 1.714 2 8 "[*+* -*** *]" 1
348 1 37 LEU HG 1 64 THR HG1 3.600 . 6.000 7.909 6.875 8.803 2.803 7 10 [***-**+***] 1
349 1 38 SER H 1 39 ASP H 4.700 . 6.000 4.496 4.396 4.569 . 0 0 "[ . 1]" 1
350 1 38 SER H 1 39 ASP HB2 3.500 . 6.000 6.417 6.065 6.634 0.634 1 3 "[+ . *- 1]" 1
351 1 38 SER H 1 63 ASN HA 2.500 . 3.300 3.760 3.310 4.180 0.880 7 4 "[*- . +* 1]" 1
352 1 38 SER H 1 64 THR H 3.300 . 4.600 3.932 3.647 4.338 . 0 0 "[ . 1]" 1
353 1 38 SER HB2 1 63 ASN H 4.400 . 6.000 5.694 5.545 5.917 . 0 0 "[ . 1]" 1
354 1 38 SER HB2 1 64 THR H 4.500 . 6.000 4.543 4.157 5.041 . 0 0 "[ . 1]" 1
355 1 39 ASP HA 1 62 LYS HA 4.200 . 6.000 2.669 2.482 2.976 . 0 0 "[ . 1]" 1
356 1 39 ASP HA 1 63 ASN H 3.100 . 4.300 2.135 1.828 2.349 0.072 1 0 "[ . 1]" 1
357 1 39 ASP HA 1 63 ASN HB2 4.100 . 6.000 5.060 4.834 5.296 . 0 0 "[ . 1]" 1
358 1 39 ASP HA 1 64 THR H 3.200 . 4.500 3.450 3.308 3.663 . 0 0 "[ . 1]" 1
359 1 39 ASP HB2 1 94 TYR H 2.900 . 3.900 2.417 2.173 2.594 . 0 0 "[ . 1]" 1
360 1 39 ASP HB2 1 96 LYS HA 4.600 . 6.000 5.363 4.958 5.813 . 0 0 "[ . 1]" 1
361 1 40 PRO HA 1 40 PRO QB 4.200 . 6.000 2.170 2.160 2.181 . 0 0 "[ . 1]" 1
362 1 40 PRO HA 1 41 TYR H 2.900 . 4.000 2.119 2.104 2.138 . 0 0 "[ . 1]" 1
363 1 40 PRO HA 1 61 LYS H 5.100 . 6.000 7.871 7.382 8.273 2.273 7 10 [******+**-] 1
364 1 40 PRO HA 1 64 THR HG1 4.400 . 6.000 7.202 6.573 8.378 2.378 2 10 [*+*****-**] 1
365 1 40 PRO HA 1 92 LEU H 4.700 . 6.000 4.939 4.771 5.152 . 0 0 "[ . 1]" 1
366 1 40 PRO QB 1 41 TYR H 3.300 . 4.700 3.165 2.918 3.302 . 0 0 "[ . 1]" 1
367 1 40 PRO QB 1 60 ILE H 4.400 . 6.000 5.928 5.368 6.340 0.340 8 0 "[ . 1]" 1
368 1 40 PRO QB 1 61 LYS H 3.300 . 4.700 5.538 4.861 6.133 1.433 7 8 "[ ****+**-]" 1
369 1 40 PRO QB 1 66 ASN H 3.100 . 6.000 6.047 5.744 6.517 0.517 2 1 "[ + . 1]" 1
370 1 40 PRO QB 1 67 PRO HA 3.900 . 5.800 3.630 3.183 4.329 . 0 0 "[ . 1]" 1
371 1 40 PRO QB 1 68 TYR H 2.200 . 6.000 5.612 5.119 6.317 0.317 8 0 "[ . 1]" 1
372 1 40 PRO HG3 1 66 ASN H 3.700 . 5.400 5.071 4.671 5.945 0.545 2 1 "[ + . 1]" 1
373 1 41 TYR H 1 41 TYR HA 2.300 . 3.000 2.876 2.854 2.898 . 0 0 "[ . 1]" 1
374 1 41 TYR H 1 41 TYR HB3 3.400 . 4.900 3.076 2.934 3.177 . 0 0 "[ . 1]" 1
375 1 41 TYR H 1 42 VAL H 4.800 . 6.000 3.894 3.649 4.048 . 0 0 "[ . 1]" 1
376 1 41 TYR H 1 60 ILE HB 4.500 . 6.000 4.719 4.485 5.307 . 0 0 "[ . 1]" 1
377 1 41 TYR H 1 61 LYS H 4.400 . 6.000 8.000 7.533 8.299 2.299 6 10 [*****+***-] 1
378 1 41 TYR H 1 92 LEU H 3.900 . 5.800 3.371 3.209 3.501 . 0 0 "[ . 1]" 1
379 1 41 TYR H 1 93 ASP H 4.000 . 6.000 4.998 4.869 5.230 . 0 0 "[ . 1]" 1
380 1 41 TYR HA 1 60 ILE H 4.000 . 6.000 3.635 3.300 4.120 . 0 0 "[ . 1]" 1
381 1 41 TYR HB3 1 42 VAL H 4.900 . 6.000 4.245 4.113 4.382 . 0 0 "[ . 1]" 1
382 1 41 TYR HB3 1 91 VAL HA 4.500 . 6.000 6.189 5.927 6.639 0.639 3 1 "[ + . 1]" 1
383 1 42 VAL H 1 42 VAL HB 3.300 . 4.700 3.837 3.745 3.918 . 0 0 "[ . 1]" 1
384 1 42 VAL H 1 60 ILE HB 4.300 . 6.000 4.058 3.612 4.910 . 0 0 "[ . 1]" 1
385 1 42 VAL HB 1 60 ILE HB 5.700 . 6.000 7.430 7.163 7.884 1.884 2 10 [*+****-***] 1
386 1 43 LYS H 1 89 VAL HA 6.000 . 6.000 4.869 4.430 5.080 . 0 0 "[ . 1]" 1
387 1 43 LYS H 1 90 THR H 3.400 . 4.800 3.331 3.162 3.535 . 0 0 "[ . 1]" 1
388 1 43 LYS H 1 92 LEU QB 3.800 . 5.600 4.883 4.555 5.409 . 0 0 "[ . 1]" 1
389 1 43 LYS HB2 1 44 ILE H 2.700 . 3.600 2.721 2.290 3.462 . 0 0 "[ . 1]" 1
390 1 43 LYS QE 1 43 LYS HG3 3.300 . 4.700 3.197 2.609 3.294 . 0 0 "[ . 1]" 1
391 1 43 LYS QE 1 44 ILE H 4.300 . 6.000 5.663 5.334 6.621 0.621 7 1 "[ . + 1]" 1
392 1 43 LYS HG3 1 44 ILE HB 6.000 . 6.000 6.430 6.005 6.892 0.892 2 3 "[ + . * -]" 1
393 1 44 ILE H 1 55 LYS QG 2.900 . 3.900 7.094 6.568 7.568 3.668 1 10 [+*******-*] 1
394 1 44 ILE H 1 57 LYS H 3.700 . 5.400 4.507 4.201 4.776 . 0 0 "[ . 1]" 1
395 1 44 ILE HA 1 44 ILE HG12 3.600 . 5.200 2.570 2.309 3.423 . 0 0 "[ . 1]" 1
396 1 44 ILE HB 1 46 LEU QB 4.400 . 6.000 6.757 6.386 7.064 1.064 6 9 [***-.+****] 1
397 1 44 ILE HG12 1 46 LEU QB 3.100 . 6.000 5.581 4.332 6.390 0.390 7 0 "[ . 1]" 1
398 1 45 HIS H 1 45 HIS QB 3.300 . 4.700 2.630 2.586 2.724 . 0 0 "[ . 1]" 1
399 1 45 HIS H 1 46 LEU H 4.000 . 6.000 4.304 4.168 4.441 . 0 0 "[ . 1]" 1
400 1 45 HIS H 1 46 LEU QB 3.300 . 6.000 5.165 4.961 5.469 . 0 0 "[ . 1]" 1
401 1 45 HIS H 1 47 MET H 4.500 . 6.000 6.394 5.941 6.607 0.607 7 3 "[ - + *]" 1
402 1 45 HIS H 1 56 LYS H 5.400 . 6.000 4.975 4.868 5.131 . 0 0 "[ . 1]" 1
403 1 45 HIS HA 1 46 LEU H 2.800 . 3.800 2.224 2.161 2.319 . 0 0 "[ . 1]" 1
404 1 45 HIS HA 1 46 LEU QB 4.200 . 6.000 4.513 4.374 4.668 . 0 0 "[ . 1]" 1
405 1 45 HIS HA 1 55 LYS H 4.100 . 6.000 5.348 5.200 5.483 . 0 0 "[ . 1]" 1
406 1 45 HIS QB 1 46 LEU H 3.100 . 4.300 3.098 2.717 3.389 . 0 0 "[ . 1]" 1
407 1 45 HIS QB 1 53 LEU H 4.700 . 6.000 5.611 5.127 6.158 0.158 4 0 "[ . 1]" 1
408 1 45 HIS QB 1 54 LYS H 4.200 . 6.000 5.630 5.447 5.944 . 0 0 "[ . 1]" 1
409 1 45 HIS QB 1 55 LYS H 4.100 . 6.000 6.439 6.177 6.656 0.656 9 5 "[ -* *+*]" 1
410 1 45 HIS QB 1 56 LYS H 3.900 . 5.800 5.070 4.857 5.356 . 0 0 "[ . 1]" 1
411 1 45 HIS QB 1 88 VAL H 3.600 . 5.200 3.699 3.538 3.873 . 0 0 "[ . 1]" 1
412 1 45 HIS HD2 1 54 LYS H 3.400 . 4.900 6.148 5.644 6.708 1.808 1 10 [+*-*******] 1
413 1 45 HIS HE1 1 88 VAL H 5.500 . 6.000 8.203 7.910 8.506 2.506 10 10 [*-*******+] 1
414 1 46 LEU H 1 46 LEU QB 2.800 . 3.800 3.014 2.927 3.157 . 0 0 "[ . 1]" 1
415 1 46 LEU H 1 47 MET HA 2.900 . 6.000 4.947 4.765 5.074 . 0 0 "[ . 1]" 1
416 1 46 LEU H 1 47 MET QG 6.000 . 6.000 4.484 3.884 4.884 . 0 0 "[ . 1]" 1
417 1 46 LEU H 1 54 LYS H 3.500 . 5.100 3.628 3.422 3.775 . 0 0 "[ . 1]" 1
418 1 46 LEU H 1 54 LYS HA 3.600 . 5.200 5.407 5.301 5.601 0.401 6 0 "[ . 1]" 1
419 1 46 LEU H 1 54 LYS QB 2.900 . 6.000 4.256 3.950 4.456 . 0 0 "[ . 1]" 1
420 1 46 LEU QB 1 47 MET H 3.400 . 4.900 3.097 2.856 3.338 . 0 0 "[ . 1]" 1
421 1 46 LEU QB 1 53 LEU QB 3.600 . 5.300 4.102 3.768 4.423 . 0 0 "[ . 1]" 1
422 1 46 LEU QB 1 54 LYS QB 4.200 . 6.000 4.292 4.184 4.438 . 0 0 "[ . 1]" 1
423 1 46 LEU QB 1 85 VAL HA 6.000 . 6.000 5.581 5.301 5.992 . 0 0 "[ . 1]" 1
424 1 46 LEU QB 1 87 VAL H 4.200 . 6.000 4.886 4.670 5.199 . 0 0 "[ . 1]" 1
425 1 46 LEU QB 1 88 VAL H 2.200 . 6.000 4.347 4.156 4.654 . 0 0 "[ . 1]" 1
426 1 46 LEU HG 1 47 MET H 3.900 . 5.800 4.807 4.752 4.881 . 0 0 "[ . 1]" 1
427 1 46 LEU HG 1 53 LEU H 4.400 . 6.000 3.918 3.469 4.197 . 0 0 "[ . 1]" 1
428 1 46 LEU HG 1 54 LYS H 2.800 . 3.800 2.450 2.265 2.635 . 0 0 "[ . 1]" 1
429 1 47 MET H 1 51 LYS H 4.300 . 6.000 6.253 5.909 6.856 0.856 2 2 "[ + - 1]" 1
430 1 47 MET HA 1 48 GLN H 2.700 . 3.600 2.193 2.125 2.342 . 0 0 "[ . 1]" 1
431 1 47 MET HA 1 53 LEU H 3.900 . 5.800 2.877 2.400 3.341 . 0 0 "[ . 1]" 1
432 1 47 MET HA 1 53 LEU QB 3.100 . 4.300 3.944 3.453 4.581 0.281 8 0 "[ . 1]" 1
433 1 47 MET HB2 1 50 GLY H 3.200 . 4.500 4.146 3.567 4.978 0.478 5 0 "[ . 1]" 1
434 1 47 MET HB2 1 150 LYS QG 3.100 . 6.000 4.012 3.464 4.694 . 0 0 "[ . 1]" 1
435 1 47 MET QG 1 86 GLN QG 4.200 . 6.000 4.691 3.776 5.504 . 0 0 "[ . 1]" 1
436 1 47 MET QG 1 147 LEU HA 5.900 . 6.000 3.582 2.446 4.858 . 0 0 "[ . 1]" 1
437 1 48 GLN H 1 48 GLN QE 4.800 . 6.000 4.523 4.102 5.380 . 0 0 "[ . 1]" 1
438 1 48 GLN H 1 49 ASN H 5.400 . 6.000 4.334 4.088 4.501 . 0 0 "[ . 1]" 1
439 1 48 GLN H 1 51 LYS H 3.300 . 4.600 3.395 2.848 3.754 . 0 0 "[ . 1]" 1
440 1 48 GLN H 1 52 ARG H 5.200 . 6.000 5.059 4.737 5.448 . 0 0 "[ . 1]" 1
441 1 48 GLN H 1 53 LEU H 5.400 . 6.000 3.204 2.637 3.758 . 0 0 "[ . 1]" 1
442 1 48 GLN HA 1 49 ASN H 2.200 . 2.800 2.149 2.130 2.184 . 0 0 "[ . 1]" 1
443 1 48 GLN QB 1 49 ASN H 2.900 . 4.000 3.777 3.596 3.857 . 0 0 "[ . 1]" 1
444 1 48 GLN QB 1 85 VAL H 4.400 . 6.000 6.861 6.335 7.843 1.843 1 6 "[+ **- * *]" 1
445 1 48 GLN QE 1 53 LEU H 5.700 . 6.000 6.301 5.255 7.334 1.334 9 5 "[* - * +*]" 1
446 1 49 ASN H 1 49 ASN QB 3.500 . 5.000 2.961 2.904 2.985 . 0 0 "[ . 1]" 1
447 1 49 ASN H 1 50 GLY H 3.000 . 4.100 2.608 2.546 2.733 . 0 0 "[ . 1]" 1
448 1 49 ASN H 1 50 GLY HA2 5.300 . 6.000 4.901 4.843 4.982 . 0 0 "[ . 1]" 1
449 1 49 ASN H 1 50 GLY HA3 4.200 . 6.000 5.235 5.171 5.336 . 0 0 "[ . 1]" 1
450 1 49 ASN H 1 85 VAL HB 5.600 . 6.000 6.104 5.622 6.701 0.701 5 1 "[ + 1]" 1
451 1 49 ASN H 1 110 TYR QB 3.900 . 5.800 6.574 6.172 7.130 1.330 5 8 "[ *-*+* ***]" 1
452 1 49 ASN H 1 151 LYS QB 5.100 . 6.000 3.928 2.993 4.949 . 0 0 "[ . 1]" 1
453 1 49 ASN HA 1 50 GLY H 2.400 . 3.100 2.849 2.585 2.989 . 0 0 "[ . 1]" 1
454 1 49 ASN HA 1 150 LYS H 5.000 . 6.000 5.682 5.105 6.296 0.296 1 0 "[ . 1]" 1
455 1 49 ASN QB 1 50 GLY H 3.500 . 5.000 3.841 3.733 3.964 . 0 0 "[ . 1]" 1
456 1 49 ASN QB 1 51 LYS H 3.300 . 4.600 3.525 3.245 3.790 . 0 0 "[ . 1]" 1
457 1 49 ASN QB 1 51 LYS HE2 2.300 . 3.000 2.588 2.205 3.167 0.167 4 0 "[ . 1]" 1
458 1 49 ASN QB 1 151 LYS H 5.800 . 6.000 6.040 5.799 6.484 0.484 1 0 "[ . 1]" 1
459 1 50 GLY H 1 50 GLY HA2 2.200 . 2.800 2.314 2.289 2.343 . 0 0 "[ . 1]" 1
460 1 50 GLY H 1 50 GLY HA3 2.400 . 3.100 2.868 2.794 2.909 . 0 0 "[ . 1]" 1
461 1 50 GLY H 1 51 LYS H 2.800 . 3.800 2.604 2.535 2.815 . 0 0 "[ . 1]" 1
462 1 50 GLY H 1 85 VAL HB 4.700 . 6.000 7.577 7.185 8.504 2.504 5 10 [****+****-] 1
463 1 50 GLY H 1 151 LYS QG 3.600 . 5.200 3.298 2.805 3.899 . 0 0 "[ . 1]" 1
464 1 50 GLY HA2 1 51 LYS H 3.200 . 4.400 3.220 3.117 3.361 . 0 0 "[ . 1]" 1
465 1 50 GLY HA2 1 149 VAL H 5.000 . 6.000 3.467 2.888 3.880 . 0 0 "[ . 1]" 1
466 1 50 GLY HA2 1 151 LYS QB 4.900 . 6.000 5.461 4.841 6.121 0.121 10 0 "[ . 1]" 1
467 1 50 GLY HA3 1 51 LYS H 3.000 . 4.100 3.344 3.222 3.439 . 0 0 "[ . 1]" 1
468 1 50 GLY HA3 1 151 LYS QB 4.700 . 6.000 5.717 5.150 6.288 0.288 5 0 "[ . 1]" 1
469 1 51 LYS H 1 51 LYS QB 1.900 . 2.400 2.610 2.388 3.097 0.697 2 1 "[ + . 1]" 1
470 1 51 LYS H 1 51 LYS HE2 3.800 . 5.600 3.886 3.117 4.552 . 0 0 "[ . 1]" 1
471 1 51 LYS H 1 51 LYS HG2 4.900 . 6.000 3.963 2.446 4.498 . 0 0 "[ . 1]" 1
472 1 51 LYS H 1 52 ARG H 4.300 . 6.000 4.399 4.323 4.474 . 0 0 "[ . 1]" 1
473 1 51 LYS H 1 86 GLN H 2.100 . 6.000 7.254 7.030 7.400 1.400 10 10 [***-*****+] 1
474 1 51 LYS HA 1 51 LYS QB 3.500 . 5.000 2.358 2.161 2.449 . 0 0 "[ . 1]" 1
475 1 51 LYS HA 1 52 ARG H 2.400 . 3.100 2.181 2.155 2.219 . 0 0 "[ . 1]" 1
476 1 52 ARG H 1 52 ARG HD3 2.900 . 3.900 4.108 3.656 4.596 0.696 9 1 "[ . +1]" 1
477 1 53 LEU H 1 53 LEU HA 2.600 . 3.400 2.907 2.850 2.943 . 0 0 "[ . 1]" 1
478 1 53 LEU H 1 53 LEU QB 2.700 . 3.600 2.293 2.074 2.410 . 0 0 "[ . 1]" 1
479 1 53 LEU H 1 54 LYS H 2.600 . 3.400 2.461 2.257 2.661 . 0 0 "[ . 1]" 1
480 1 53 LEU H 1 54 LYS QB 4.300 . 6.000 4.788 4.597 4.987 . 0 0 "[ . 1]" 1
481 1 53 LEU HA 1 53 LEU QB 4.200 . 6.000 2.440 2.372 2.525 . 0 0 "[ . 1]" 1
482 1 53 LEU HA 1 53 LEU QB 2.500 . 3.300 2.286 2.221 2.315 . 0 0 "[ . 1]" 1
483 1 53 LEU HA 1 54 LYS H 2.900 . 3.900 3.558 3.531 3.582 . 0 0 "[ . 1]" 1
484 1 53 LEU QB 1 54 LYS H 2.600 . 3.400 2.335 1.893 2.605 . 0 0 "[ . 1]" 1
485 1 53 LEU QB 1 54 LYS QE 6.000 . 6.000 5.198 4.102 6.499 0.499 9 0 "[ . 1]" 1
486 1 53 LEU HG 1 54 LYS QB 2.200 . 2.800 4.368 3.636 5.801 3.001 8 10 [*******+-*] 1
487 1 53 LEU HG 1 54 LYS QG 3.000 . 4.100 3.144 2.071 4.447 0.347 8 0 "[ . 1]" 1
488 1 54 LYS H 1 54 LYS QB 2.800 . 3.700 2.639 2.544 2.804 . 0 0 "[ . 1]" 1
489 1 54 LYS H 1 54 LYS QE 5.100 . 6.000 5.492 4.515 6.450 0.450 9 0 "[ . 1]" 1
490 1 54 LYS H 1 55 LYS H 4.600 . 6.000 4.414 4.349 4.512 . 0 0 "[ . 1]" 1
491 1 54 LYS H 1 75 PHE QD 3.100 . 6.000 6.309 5.850 6.807 0.807 6 3 "[ - .+ *1]" 1
492 1 54 LYS HA 1 54 LYS QB 3.200 . 4.500 2.442 2.312 2.539 . 0 0 "[ . 1]" 1
493 1 54 LYS HA 1 54 LYS QG 3.900 . 5.800 2.591 2.225 2.854 . 0 0 "[ . 1]" 1
494 1 54 LYS HA 1 55 LYS H 2.500 . 3.300 2.341 2.211 2.552 . 0 0 "[ . 1]" 1
495 1 54 LYS QB 1 54 LYS QG 3.200 . 4.500 1.909 1.883 1.958 0.017 3 0 "[ . 1]" 1
496 1 54 LYS QB 1 55 LYS H 2.900 . 3.900 2.506 2.239 2.811 . 0 0 "[ . 1]" 1
497 1 54 LYS HD2 1 55 LYS H 6.000 . 6.000 3.834 2.630 4.729 . 0 0 "[ . 1]" 1
498 1 54 LYS QE 1 55 LYS H 5.900 . 6.000 4.967 4.203 5.890 . 0 0 "[ . 1]" 1
499 1 55 LYS H 1 75 PHE QE 4.900 . 6.000 7.461 6.818 8.239 2.239 6 10 [***-*+****] 1
500 1 55 LYS HA 1 55 LYS HB2 2.800 . 3.800 2.671 2.412 3.022 . 0 0 "[ . 1]" 1
501 1 55 LYS HA 1 56 LYS H 2.500 . 3.300 2.213 2.165 2.303 . 0 0 "[ . 1]" 1
502 1 55 LYS HB2 1 56 LYS H 3.200 . 4.500 3.284 2.735 4.199 . 0 0 "[ . 1]" 1
503 1 55 LYS QG 1 56 LYS H 2.400 . 3.100 4.315 3.676 4.664 1.564 1 10 [+*******-*] 1
504 1 55 LYS QG 1 56 LYS QD 2.900 . 6.000 5.142 4.225 6.817 0.817 10 1 "[ . +]" 1
505 1 56 LYS H 1 56 LYS HA 2.700 . 3.600 2.929 2.904 2.947 . 0 0 "[ . 1]" 1
506 1 56 LYS H 1 57 LYS H 3.400 . 4.800 4.280 3.881 4.479 . 0 0 "[ . 1]" 1
507 1 56 LYS HA 1 57 LYS H 2.500 . 3.300 2.323 2.157 2.561 . 0 0 "[ . 1]" 1
508 1 56 LYS QD 1 74 SER H 4.100 . 6.000 4.439 2.767 5.492 . 0 0 "[ . 1]" 1
509 1 57 LYS H 1 58 THR H 3.900 . 5.800 4.452 4.351 4.557 . 0 0 "[ . 1]" 1
510 1 57 LYS HB2 1 58 THR H 3.000 . 4.100 2.439 2.183 2.673 . 0 0 "[ . 1]" 1
511 1 57 LYS HB2 1 58 THR HB 4.300 . 6.000 5.428 5.001 5.673 . 0 0 "[ . 1]" 1
512 1 57 LYS HG3 1 58 THR H 3.100 . 4.300 3.723 2.897 4.270 . 0 0 "[ . 1]" 1
513 1 58 THR H 1 59 THR H 5.700 . 6.000 4.394 4.207 4.464 . 0 0 "[ . 1]" 1
514 1 58 THR HA 1 71 GLU QG 3.700 . 5.400 3.939 2.934 4.481 . 0 0 "[ . 1]" 1
515 1 58 THR HA 1 72 SER H 4.300 . 6.000 6.588 5.682 7.258 1.258 2 7 "[*+**- * *1]" 1
516 1 58 THR HB 1 59 THR H 2.900 . 4.000 3.890 3.727 4.072 0.072 7 0 "[ . 1]" 1
517 1 59 THR H 1 59 THR HB 3.600 . 5.200 2.811 2.552 3.214 . 0 0 "[ . 1]" 1
518 1 59 THR H 1 60 ILE H 5.100 . 6.000 4.256 3.724 4.436 . 0 0 "[ . 1]" 1
519 1 59 THR H 1 71 GLU QB 3.100 . 6.000 4.311 3.925 5.019 . 0 0 "[ . 1]" 1
520 1 60 ILE H 1 60 ILE HG12 3.000 . 4.100 3.632 2.739 4.481 0.381 5 0 "[ . 1]" 1
521 1 60 ILE H 1 61 LYS QE 4.700 . 6.000 6.885 5.760 7.749 1.749 6 8 "[ **-*+* **]" 1
522 1 60 ILE H 1 69 TYR QD 5.500 . 6.000 5.362 4.931 5.736 . 0 0 "[ . 1]" 1
523 1 60 ILE HA 1 61 LYS H 2.500 . 3.300 2.328 2.188 2.561 . 0 0 "[ . 1]" 1
524 1 60 ILE HB 1 61 LYS H 4.000 . 6.000 3.580 2.645 4.076 . 0 0 "[ . 1]" 1
525 1 60 ILE HG12 1 61 LYS H 3.100 . 6.000 4.451 4.274 4.668 . 0 0 "[ . 1]" 1
526 1 61 LYS H 1 61 LYS QE 4.000 . 6.000 4.635 4.361 5.117 . 0 0 "[ . 1]" 1
527 1 61 LYS H 1 64 THR HG1 4.400 . 6.000 4.913 4.439 5.686 . 0 0 "[ . 1]" 1
528 1 61 LYS H 1 66 ASN H 6.000 . 6.000 8.287 7.950 8.720 2.720 7 10 [*-****+***] 1
529 1 61 LYS H 1 67 PRO HA 3.900 . 5.800 4.610 3.718 5.264 . 0 0 "[ . 1]" 1
530 1 61 LYS QG 1 65 LEU H 5.200 . 6.000 8.805 8.081 9.615 3.615 7 10 [*-****+***] 1
531 1 61 LYS QG 1 68 TYR H 3.300 . 6.000 5.428 4.383 6.220 0.220 7 0 "[ . 1]" 1
532 1 62 LYS H 1 62 LYS HB3 2.100 . 2.700 2.622 2.441 2.754 0.054 6 0 "[ . 1]" 1
533 1 62 LYS H 1 62 LYS HE2 4.100 . 6.000 5.686 4.975 6.159 0.159 10 0 "[ . 1]" 1
534 1 62 LYS H 1 63 ASN H 4.300 . 6.000 4.569 4.493 4.607 . 0 0 "[ . 1]" 1
535 1 62 LYS H 1 63 ASN HB2 4.000 . 6.000 5.511 5.314 5.758 . 0 0 "[ . 1]" 1
536 1 62 LYS H 1 64 THR HG1 3.000 . 6.000 4.464 4.168 4.760 . 0 0 "[ . 1]" 1
537 1 62 LYS H 1 67 PRO HA 4.300 . 6.000 7.627 6.840 8.002 2.002 7 10 [*-****+***] 1
538 1 62 LYS HA 1 62 LYS HG2 4.500 . 6.000 3.880 3.731 3.989 . 0 0 "[ . 1]" 1
539 1 62 LYS HA 1 63 ASN H 2.500 . 3.300 2.502 2.439 2.546 . 0 0 "[ . 1]" 1
540 1 62 LYS HB3 1 63 ASN H 3.000 . 4.100 3.672 3.570 3.814 . 0 0 "[ . 1]" 1
541 1 63 ASN H 1 63 ASN HA 2.600 . 3.400 2.271 2.255 2.285 . 0 0 "[ . 1]" 1
542 1 63 ASN H 1 63 ASN HB2 3.300 . 4.700 2.997 2.906 3.078 . 0 0 "[ . 1]" 1
543 1 63 ASN H 1 64 THR H 3.500 . 5.000 2.907 2.764 3.130 . 0 0 "[ . 1]" 1
544 1 63 ASN H 1 94 TYR HB2 2.600 . 6.000 6.088 5.831 6.330 0.330 3 0 "[ . 1]" 1
545 1 63 ASN HA 1 64 THR H 2.500 . 3.300 2.633 2.527 2.839 . 0 0 "[ . 1]" 1
546 1 63 ASN HB2 1 64 THR H 4.100 . 6.000 4.620 4.514 4.668 . 0 0 "[ . 1]" 1
547 1 63 ASN HB2 1 64 THR HG1 4.200 . 6.000 5.376 4.576 6.045 0.045 8 0 "[ . 1]" 1
548 1 64 THR H 1 64 THR HG1 2.300 . 3.000 2.962 2.613 3.279 0.279 1 0 "[ . 1]" 1
549 1 64 THR HA 1 65 LEU H 2.500 . 3.300 2.274 2.168 2.460 . 0 0 "[ . 1]" 1
550 1 64 THR HA 1 66 ASN H 4.300 . 6.000 3.893 3.723 4.159 . 0 0 "[ . 1]" 1
551 1 64 THR HB 1 66 ASN H 3.600 . 5.200 3.225 2.415 4.177 . 0 0 "[ . 1]" 1
552 1 64 THR HG1 1 65 LEU H 3.300 . 4.600 4.983 4.783 5.283 0.683 9 3 "[ * - +1]" 1
553 1 64 THR HG1 1 66 ASN H 3.600 . 5.200 5.471 5.086 5.876 0.676 2 2 "[ + -. 1]" 1
554 1 64 THR HG1 1 66 ASN HA 2.900 . 6.000 7.454 6.882 8.010 2.010 3 10 [**+****-**] 1
555 1 64 THR HG1 1 68 TYR H 2.200 . 6.000 5.660 5.106 6.443 0.443 3 0 "[ . 1]" 1
556 1 65 LEU H 1 65 LEU HB2 2.500 . 3.300 2.533 2.351 2.638 . 0 0 "[ . 1]" 1
557 1 65 LEU H 1 67 PRO HA 3.800 . 5.600 6.261 5.942 6.524 0.924 3 7 "[ *+**- **]" 1
558 1 66 ASN H 1 66 ASN HA 2.800 . 3.800 2.941 2.932 2.948 . 0 0 "[ . 1]" 1
559 1 66 ASN H 1 66 ASN QB 2.600 . 6.000 2.486 2.324 2.581 . 0 0 "[ . 1]" 1
560 1 66 ASN H 1 66 ASN QD 4.000 . 6.000 4.148 3.153 4.705 . 0 0 "[ . 1]" 1
561 1 66 ASN HA 1 66 ASN QB 3.600 . 5.200 2.406 2.347 2.472 . 0 0 "[ . 1]" 1
562 1 66 ASN HA 1 68 TYR HB2 4.400 . 6.000 5.781 5.558 6.140 0.140 6 0 "[ . 1]" 1
563 1 67 PRO HB2 1 68 TYR H 3.800 . 5.600 4.271 4.192 4.324 . 0 0 "[ . 1]" 1
564 1 67 PRO QG 1 68 TYR H 2.700 . 6.000 4.859 4.821 4.879 . 0 0 "[ . 1]" 1
565 1 68 TYR HA 1 70 ASN H 5.200 . 6.000 3.707 3.566 3.863 . 0 0 "[ . 1]" 1
566 1 69 TYR H 1 69 TYR QB 2.600 . 3.500 2.878 2.818 2.943 . 0 0 "[ . 1]" 1
567 1 69 TYR H 1 70 ASN HA 4.200 . 6.000 3.836 3.780 3.912 . 0 0 "[ . 1]" 1
568 1 69 TYR HA 1 71 GLU H 3.700 . 5.400 5.894 4.946 6.219 0.819 4 6 "[** +- * *]" 1
569 1 69 TYR QD 1 71 GLU H 3.300 . 6.000 4.469 4.095 4.809 . 0 0 "[ . 1]" 1
570 1 70 ASN H 1 70 ASN HB2 3.600 . 5.300 3.209 3.090 3.282 . 0 0 "[ . 1]" 1
571 1 70 ASN HA 1 71 GLU QB 3.900 . 5.800 4.519 4.244 4.800 . 0 0 "[ . 1]" 1
572 1 70 ASN HB2 1 71 GLU H 5.700 . 6.000 4.582 4.525 4.632 . 0 0 "[ . 1]" 1
573 1 71 GLU H 1 71 GLU QB 2.600 . 3.500 2.450 2.265 2.630 . 0 0 "[ . 1]" 1
574 1 71 GLU H 1 71 GLU QG 2.700 . 3.600 3.277 2.785 3.899 0.299 2 0 "[ . 1]" 1
575 1 71 GLU H 1 72 SER H 4.100 . 6.000 4.494 4.439 4.610 . 0 0 "[ . 1]" 1
576 1 71 GLU HA 1 72 SER H 6.000 . 6.000 2.335 2.246 2.441 . 0 0 "[ . 1]" 1
577 1 71 GLU HA 1 72 SER HB3 5.400 . 6.000 5.509 5.422 5.595 . 0 0 "[ . 1]" 1
578 1 71 GLU QB 1 72 SER H 3.600 . 5.200 2.675 2.392 2.853 . 0 0 "[ . 1]" 1
579 1 72 SER H 1 72 SER HA 2.800 . 3.800 2.944 2.937 2.949 . 0 0 "[ . 1]" 1
580 1 72 SER H 1 72 SER HB3 2.500 . 3.300 3.739 3.693 3.813 0.513 8 1 "[ . + 1]" 1
581 1 72 SER H 1 73 PHE H 4.300 . 6.000 4.367 4.260 4.445 . 0 0 "[ . 1]" 1
582 1 72 SER HA 1 73 PHE H 2.500 . 3.300 2.146 2.137 2.159 . 0 0 "[ . 1]" 1
583 1 72 SER HB3 1 73 PHE H 3.600 . 5.200 3.407 3.117 3.688 . 0 0 "[ . 1]" 1
584 1 73 PHE H 1 73 PHE HA 2.300 . 3.000 2.940 2.927 2.947 . 0 0 "[ . 1]" 1
585 1 73 PHE H 1 73 PHE HB2 2.900 . 4.000 2.470 2.344 2.641 . 0 0 "[ . 1]" 1
586 1 73 PHE H 1 73 PHE QD 2.800 . 3.800 2.883 2.510 3.457 . 0 0 "[ . 1]" 1
587 1 73 PHE H 1 74 SER H 4.200 . 6.000 4.123 3.572 4.271 . 0 0 "[ . 1]" 1
588 1 73 PHE HA 1 73 PHE QD 3.400 . 4.900 2.734 2.325 2.991 . 0 0 "[ . 1]" 1
589 1 73 PHE HA 1 74 SER H 2.500 . 3.300 2.174 2.118 2.375 . 0 0 "[ . 1]" 1
590 1 73 PHE QD 1 74 SER H 2.400 . 3.100 4.330 3.901 4.896 1.796 7 10 [******+-**] 1
591 1 74 SER H 1 74 SER HB3 2.800 . 3.800 3.387 3.044 3.676 . 0 0 "[ . 1]" 1
592 1 74 SER H 1 75 PHE H 4.700 . 6.000 4.550 4.498 4.606 . 0 0 "[ . 1]" 1
593 1 74 SER HA 1 74 SER HB3 2.000 . 2.500 2.322 2.232 2.497 . 0 0 "[ . 1]" 1
594 1 74 SER HA 1 75 PHE H 2.500 . 3.300 2.195 2.123 2.265 . 0 0 "[ . 1]" 1
595 1 74 SER HB3 1 75 PHE H 2.700 . 3.600 3.250 2.890 3.812 0.212 8 0 "[ . 1]" 1
596 1 75 PHE H 1 75 PHE HA 2.700 . 3.600 2.902 2.861 2.939 . 0 0 "[ . 1]" 1
597 1 75 PHE H 1 75 PHE HB3 2.900 . 4.000 2.921 2.759 3.093 . 0 0 "[ . 1]" 1
598 1 75 PHE H 1 75 PHE QD 3.100 . 4.300 4.381 4.320 4.443 0.143 7 0 "[ . 1]" 1
599 1 75 PHE H 1 75 PHE QE 4.000 . 6.000 6.414 6.376 6.459 0.459 7 0 "[ . 1]" 1
600 1 75 PHE H 1 76 GLU H 6.000 . 6.000 3.869 3.613 4.118 . 0 0 "[ . 1]" 1
601 1 75 PHE HA 1 76 GLU HB2 4.100 . 6.000 5.247 4.968 5.664 . 0 0 "[ . 1]" 1
602 1 75 PHE HB3 1 76 GLU H 3.600 . 5.200 4.335 4.256 4.445 . 0 0 "[ . 1]" 1
603 1 75 PHE QD 1 76 GLU H 3.600 . 5.200 2.594 2.154 2.912 . 0 0 "[ . 1]" 1
604 1 76 GLU H 1 77 VAL H 3.700 . 5.400 4.258 4.081 4.431 . 0 0 "[ . 1]" 1
605 1 76 GLU HA 1 76 GLU HB2 2.700 . 3.600 2.871 2.660 2.992 . 0 0 "[ . 1]" 1
606 1 76 GLU HA 1 76 GLU HG2 3.300 . 4.700 3.526 3.428 3.719 . 0 0 "[ . 1]" 1
607 1 76 GLU HB2 1 77 VAL H 6.000 . 6.000 4.054 3.545 4.294 . 0 0 "[ . 1]" 1
608 1 77 VAL H 1 77 VAL HA 3.000 . 4.100 2.887 2.847 2.911 . 0 0 "[ . 1]" 1
609 1 77 VAL HA 1 78 PRO QD 3.000 . 4.100 1.979 1.863 2.101 0.037 10 0 "[ . 1]" 1
610 1 77 VAL HB 1 78 PRO QD 2.000 . 2.500 2.460 2.260 2.956 0.456 10 0 "[ . 1]" 1
611 1 78 PRO HA 1 79 PHE H 3.200 . 4.500 2.303 2.252 2.395 . 0 0 "[ . 1]" 1
612 1 78 PRO HA 1 81 GLN H 3.400 . 4.800 4.620 4.513 4.720 . 0 0 "[ . 1]" 1
613 1 78 PRO HB2 1 78 PRO QD 3.900 . 5.800 3.062 2.835 3.536 . 0 0 "[ . 1]" 1
614 1 78 PRO HB2 1 79 PHE H 2.400 . 3.100 3.284 2.643 3.604 0.504 5 1 "[ + 1]" 1
615 1 78 PRO HB2 1 79 PHE HA 4.800 . 6.000 4.859 4.692 4.944 . 0 0 "[ . 1]" 1
616 1 78 PRO QD 1 80 GLU HA 4.800 . 6.000 6.962 6.536 7.190 1.190 2 10 [*+*******-] 1
617 1 78 PRO QD 1 81 GLN H 3.300 . 4.700 4.066 3.358 4.324 . 0 0 "[ . 1]" 1
618 1 78 PRO QD 1 81 GLN HB2 2.900 . 4.000 2.716 2.375 3.107 . 0 0 "[ . 1]" 1
619 1 78 PRO QG 1 80 GLU QG 1.900 . 2.300 3.193 2.227 3.734 1.434 6 7 "[* **+* *-]" 1
620 1 79 PHE H 1 79 PHE HB3 2.400 . 3.100 2.666 2.393 2.882 . 0 0 "[ . 1]" 1
621 1 79 PHE H 1 79 PHE QD 3.800 . 5.600 2.362 1.913 2.912 0.087 7 0 "[ . 1]" 1
622 1 79 PHE H 1 81 GLN H 3.900 . 5.800 4.142 4.029 4.265 . 0 0 "[ . 1]" 1
623 1 79 PHE HA 1 80 GLU H 3.100 . 4.300 3.443 3.379 3.501 . 0 0 "[ . 1]" 1
624 1 79 PHE HB3 1 79 PHE QD 3.700 . 5.400 2.372 2.264 2.496 . 0 0 "[ . 1]" 1
625 1 79 PHE HB3 1 80 GLU H 3.300 . 4.700 4.227 4.111 4.336 . 0 0 "[ . 1]" 1
626 1 79 PHE QD 1 80 GLU HA 4.200 . 6.000 3.428 3.033 3.948 . 0 0 "[ . 1]" 1
627 1 80 GLU H 1 80 GLU HA 2.400 . 3.100 2.882 2.856 2.906 . 0 0 "[ . 1]" 1
628 1 80 GLU H 1 81 GLN H 2.400 . 3.100 2.433 2.289 2.557 . 0 0 "[ . 1]" 1
629 1 80 GLU H 1 81 GLN HA 5.600 . 6.000 5.035 4.919 5.146 . 0 0 "[ . 1]" 1
630 1 80 GLU H 1 82 ILE HB 3.900 . 5.800 5.288 4.648 5.982 0.182 3 0 "[ . 1]" 1
631 1 80 GLU HA 1 80 GLU HB2 2.600 . 3.400 2.490 2.430 2.557 . 0 0 "[ . 1]" 1
632 1 80 GLU HA 1 80 GLU QG 3.700 . 5.400 3.341 3.315 3.407 . 0 0 "[ . 1]" 1
633 1 81 GLN H 1 82 ILE H 2.700 . 3.600 2.224 2.075 2.424 . 0 0 "[ . 1]" 1
634 1 81 GLN HB2 1 82 ILE H 3.300 . 4.700 4.113 3.747 4.244 . 0 0 "[ . 1]" 1
635 1 82 ILE H 1 82 ILE HA 2.500 . 3.300 2.815 2.775 2.870 . 0 0 "[ . 1]" 1
636 1 82 ILE H 1 82 ILE HB 2.400 . 3.100 2.340 2.035 2.737 . 0 0 "[ . 1]" 1
637 1 82 ILE H 1 84 LYS QG 2.400 . 6.000 4.536 4.085 5.260 . 0 0 "[ . 1]" 1
638 1 82 ILE HA 1 82 ILE HB 2.900 . 4.000 2.792 2.505 3.020 . 0 0 "[ . 1]" 1
639 1 82 ILE HB 1 124 LEU QB 3.500 . 5.000 6.112 5.422 6.506 1.506 2 9 "[ +****-***]" 1
640 1 82 ILE QG 1 124 LEU H 4.800 . 6.000 6.137 5.007 7.593 1.593 3 4 "[ +*. *-1]" 1
641 1 82 ILE QG 1 125 ALA H 5.500 . 6.000 5.598 4.265 6.760 0.760 3 1 "[ + . 1]" 1
642 1 83 GLN H 1 84 LYS H 2.800 . 3.800 2.702 2.464 3.079 . 0 0 "[ . 1]" 1
643 1 83 GLN H 1 85 VAL H 4.600 . 6.000 4.490 4.249 4.758 . 0 0 "[ . 1]" 1
644 1 83 GLN HB2 1 110 TYR QB 2.800 . 6.000 4.298 3.002 5.312 . 0 0 "[ . 1]" 1
645 1 83 GLN QE 1 84 LYS H 2.600 . 3.400 4.487 3.463 5.727 2.327 9 8 "[-****** +1]" 1
646 1 83 GLN QE 1 110 TYR QB 3.100 . 4.300 5.742 4.346 7.026 2.726 9 8 "[***** *+-]" 1
647 1 84 LYS H 1 84 LYS HA 2.600 . 3.500 2.935 2.891 2.950 . 0 0 "[ . 1]" 1
648 1 84 LYS H 1 84 LYS HB2 2.600 . 3.500 3.502 2.542 3.997 0.497 8 0 "[ . 1]" 1
649 1 84 LYS H 1 84 LYS HE2 2.800 . 6.000 5.564 4.474 6.148 0.148 8 0 "[ . 1]" 1
650 1 84 LYS H 1 84 LYS QG 2.400 . 3.100 2.472 2.063 3.062 . 0 0 "[ . 1]" 1
651 1 84 LYS HA 1 84 LYS HB2 2.900 . 4.000 2.615 2.345 3.022 . 0 0 "[ . 1]" 1
652 1 84 LYS HA 1 84 LYS HD2 2.900 . 6.000 4.292 2.353 4.738 . 0 0 "[ . 1]" 1
653 1 84 LYS HA 1 85 VAL H 3.200 . 4.400 3.122 2.926 3.331 . 0 0 "[ . 1]" 1
654 1 84 LYS QG 1 85 VAL H 2.900 . 6.000 3.751 3.103 4.408 . 0 0 "[ . 1]" 1
655 1 85 VAL H 1 85 VAL HB 3.200 . 4.500 3.735 3.686 3.787 . 0 0 "[ . 1]" 1
656 1 85 VAL H 1 86 GLN H 4.600 . 6.000 4.480 4.426 4.562 . 0 0 "[ . 1]" 1
657 1 85 VAL H 1 110 TYR HA 3.600 . 5.200 5.230 4.587 5.809 0.609 6 1 "[ .+ 1]" 1
658 1 85 VAL HA 1 86 GLN H 2.900 . 4.000 2.460 2.342 2.593 . 0 0 "[ . 1]" 1
659 1 86 GLN H 1 87 VAL H 3.100 . 4.300 3.948 3.673 4.114 . 0 0 "[ . 1]" 1
660 1 86 GLN H 1 109 GLY QA 6.000 . 6.000 4.497 4.280 4.771 . 0 0 "[ . 1]" 1
661 1 86 GLN H 1 150 LYS QG 4.500 . 6.000 5.827 4.989 6.615 0.615 1 3 "[+ * . - 1]" 1
662 1 86 GLN HA 1 150 LYS QE 3.600 . 5.200 4.828 4.351 5.896 0.696 1 1 "[+ . 1]" 1
663 1 86 GLN QG 1 150 LYS HA 3.500 . 6.000 6.090 5.090 7.039 1.039 3 3 "[ + . - *]" 1
664 1 87 VAL H 1 87 VAL HA 2.700 . 3.600 2.943 2.927 2.951 . 0 0 "[ . 1]" 1
665 1 87 VAL H 1 88 VAL HA 4.000 . 6.000 5.012 4.889 5.098 . 0 0 "[ . 1]" 1
666 1 87 VAL H 1 88 VAL HB 2.300 . 6.000 5.647 5.514 5.804 . 0 0 "[ . 1]" 1
667 1 87 VAL H 1 107 PHE HA 6.000 . 6.000 4.793 4.608 4.904 . 0 0 "[ . 1]" 1
668 1 87 VAL H 1 107 PHE QD 5.500 . 6.000 6.548 5.900 7.182 1.182 2 6 "[ + * -***]" 1
669 1 87 VAL H 1 150 LYS QE 5.000 . 6.000 5.503 4.846 6.994 0.994 1 1 "[+ . 1]" 1
670 1 87 VAL HA 1 89 VAL H 4.800 . 6.000 5.994 5.879 6.115 0.115 9 0 "[ . 1]" 1
671 1 87 VAL HB 1 108 VAL H 3.500 . 5.000 3.679 3.539 3.852 . 0 0 "[ . 1]" 1
672 1 88 VAL H 1 88 VAL HA 2.400 . 3.100 2.943 2.938 2.945 . 0 0 "[ . 1]" 1
673 1 88 VAL H 1 88 VAL HB 3.300 . 4.700 3.268 3.174 3.411 . 0 0 "[ . 1]" 1
674 1 88 VAL HA 1 88 VAL HB 1.900 . 2.400 2.367 2.302 2.412 0.012 5 0 "[ . 1]" 1
675 1 88 VAL HA 1 89 VAL H 2.500 . 3.300 2.134 2.110 2.168 . 0 0 "[ . 1]" 1
676 1 88 VAL HA 1 106 VAL H 3.400 . 4.800 4.339 4.143 4.463 . 0 0 "[ . 1]" 1
677 1 88 VAL HA 1 107 PHE H 4.600 . 6.000 4.705 4.597 4.825 . 0 0 "[ . 1]" 1
678 1 88 VAL HB 1 106 VAL H 4.900 . 6.000 5.461 5.145 5.753 . 0 0 "[ . 1]" 1
679 1 89 VAL H 1 89 VAL HB 2.700 . 3.600 2.664 2.606 2.742 . 0 0 "[ . 1]" 1
680 1 89 VAL H 1 105 LYS HG2 5.700 . 6.000 5.590 4.694 6.297 0.297 7 0 "[ . 1]" 1
681 1 89 VAL H 1 106 VAL H 3.600 . 5.200 2.941 2.829 3.066 . 0 0 "[ . 1]" 1
682 1 89 VAL H 1 107 PHE HA 3.300 . 4.700 3.628 3.428 4.123 . 0 0 "[ . 1]" 1
683 1 89 VAL H 1 107 PHE QB 3.800 . 6.000 5.018 4.730 5.606 . 0 0 "[ . 1]" 1
684 1 89 VAL H 1 108 VAL H 4.000 . 6.000 4.629 4.484 4.733 . 0 0 "[ . 1]" 1
685 1 89 VAL HA 1 90 THR H 2.400 . 3.100 2.128 2.109 2.150 . 0 0 "[ . 1]" 1
686 1 89 VAL HA 1 91 VAL H 4.300 . 6.000 5.398 5.156 5.595 . 0 0 "[ . 1]" 1
687 1 89 VAL HB 1 90 THR H 4.000 . 6.000 4.160 4.011 4.271 . 0 0 "[ . 1]" 1
688 1 90 THR H 1 90 THR HB 4.000 . 6.000 3.107 2.597 3.571 . 0 0 "[ . 1]" 1
689 1 90 THR HA 1 91 VAL H 2.800 . 3.800 2.204 2.168 2.279 . 0 0 "[ . 1]" 1
690 1 90 THR HA 1 105 LYS HA 3.900 . 5.800 3.572 3.161 4.064 . 0 0 "[ . 1]" 1
691 1 90 THR HB 1 91 VAL H 3.100 . 4.300 4.119 3.813 4.372 0.072 4 0 "[ . 1]" 1
692 1 91 VAL H 1 92 LEU H 4.300 . 6.000 4.539 4.498 4.574 . 0 0 "[ . 1]" 1
693 1 91 VAL H 1 102 ALA H 2.600 . 6.000 7.265 6.814 7.739 1.739 4 10 [***+****-*] 1
694 1 91 VAL H 1 103 ILE H 5.200 . 6.000 5.750 5.552 6.133 0.133 3 0 "[ . 1]" 1
695 1 91 VAL H 1 104 GLY H 3.400 . 4.800 4.282 3.684 5.547 0.747 1 1 "[+ . 1]" 1
696 1 91 VAL H 1 105 LYS HA 3.600 . 5.200 3.241 3.126 3.466 . 0 0 "[ . 1]" 1
697 1 91 VAL H 1 105 LYS QB 3.500 . 5.000 4.378 4.186 4.565 . 0 0 "[ . 1]" 1
698 1 91 VAL H 1 106 VAL H 3.500 . 6.000 4.996 4.851 5.196 . 0 0 "[ . 1]" 1
699 1 91 VAL HB 1 102 ALA HA 3.200 . 6.000 7.061 6.619 7.743 1.743 4 10 [***+***-**] 1
700 1 91 VAL HB 1 140 GLU H 2.300 . 6.000 7.774 6.919 8.364 2.364 2 10 [*+***-****] 1
701 1 92 LEU H 1 92 LEU QB 2.500 . 3.300 2.579 2.463 2.672 . 0 0 "[ . 1]" 1
702 1 92 LEU H 1 102 ALA HA 4.100 . 6.000 8.611 8.155 9.336 3.336 4 10 [***+***-**] 1
703 1 92 LEU HA 1 103 ILE H 3.600 . 5.200 4.316 3.946 4.679 . 0 0 "[ . 1]" 1
704 1 92 LEU HA 1 104 GLY H 4.300 . 6.000 5.007 4.660 6.164 0.164 1 0 "[ . 1]" 1
705 1 92 LEU QB 1 93 ASP H 3.200 . 4.500 1.932 1.653 2.253 0.247 5 0 "[ . 1]" 1
706 1 92 LEU QB 1 102 ALA H 2.000 . 2.500 4.755 3.885 5.594 3.094 4 10 [***+****-*] 1
707 1 92 LEU QB 1 101 ASP H 5.100 . 6.000 6.488 5.752 7.015 1.015 4 6 "[**-+* * 1]" 1
708 1 92 LEU HG 1 103 ILE H 2.800 . 3.800 5.828 5.097 6.478 2.678 4 10 [***+****-*] 1
709 1 92 LEU HG 1 103 ILE HA 2.800 . 6.000 7.688 7.451 7.968 1.968 4 10 [***+*****-] 1
710 1 92 LEU HG 1 139 VAL HA 2.100 . 6.000 10.427 8.684 11.375 5.375 4 10 [***+*-****] 1
711 1 92 LEU HG 1 140 GLU H 2.100 . 6.000 9.672 7.449 10.743 4.743 5 10 [****+-****] 1
712 1 93 ASP H 1 100 ASN HB2 3.800 . 5.600 5.219 4.963 5.489 . 0 0 "[ . 1]" 1
713 1 93 ASP H 1 102 ALA H 4.200 . 6.000 5.700 5.242 6.162 0.162 4 0 "[ . 1]" 1
714 1 93 ASP H 1 102 ALA HA 4.500 . 6.000 7.484 7.102 7.884 1.884 4 10 [***+***-**] 1
715 1 93 ASP H 1 103 ILE HA 4.300 . 6.000 6.906 6.661 7.107 1.107 6 10 [*****+-***] 1
716 1 93 ASP H 1 103 ILE HG12 3.400 . 4.800 3.879 3.609 4.154 . 0 0 "[ . 1]" 1
717 1 93 ASP HA 1 101 ASP H 3.600 . 5.200 6.959 6.647 7.227 2.027 4 10 [***+****-*] 1
718 1 93 ASP HA 1 102 ALA H 3.300 . 6.000 8.276 7.803 8.809 2.809 4 10 [***+***-**] 1
719 1 94 TYR H 1 94 TYR HB2 3.000 . 4.200 2.535 2.451 2.646 . 0 0 "[ . 1]" 1
720 1 94 TYR H 1 94 TYR QE 5.000 . 6.000 5.264 5.104 5.469 . 0 0 "[ . 1]" 1
721 1 94 TYR QD 1 95 ASP H 3.900 . 5.800 4.353 4.227 4.645 . 0 0 "[ . 1]" 1
722 1 94 TYR QD 1 97 ILE H 3.300 . 6.000 5.513 5.188 6.066 0.066 8 0 "[ . 1]" 1
723 1 94 TYR QE 1 95 ASP H 3.600 . 6.000 6.410 6.271 6.592 0.592 8 2 "[ . +-1]" 1
724 1 95 ASP H 1 95 ASP HB2 3.200 . 4.500 2.576 2.403 2.688 . 0 0 "[ . 1]" 1
725 1 95 ASP H 1 96 LYS H 6.000 . 6.000 4.353 4.259 4.495 . 0 0 "[ . 1]" 1
726 1 95 ASP H 1 99 LYS HB2 4.100 . 6.000 5.650 5.055 6.510 0.510 3 2 "[ + . - 1]" 1
727 1 95 ASP HA 1 97 ILE H 4.700 . 6.000 4.112 3.715 4.356 . 0 0 "[ . 1]" 1
728 1 95 ASP HB2 1 100 ASN HB2 2.700 . 3.600 2.511 1.892 4.088 0.488 8 0 "[ . 1]" 1
729 1 96 LYS H 1 97 ILE H 3.400 . 4.800 2.826 2.674 2.894 . 0 0 "[ . 1]" 1
730 1 96 LYS H 1 97 ILE HG13 3.300 . 4.700 4.613 4.522 4.762 0.062 10 0 "[ . 1]" 1
731 1 96 LYS HA 1 98 GLY HA3 1.600 . 6.000 6.218 6.033 6.467 0.467 9 0 "[ . 1]" 1
732 1 97 ILE H 1 97 ILE HA 3.000 . 4.100 2.270 2.260 2.278 . 0 0 "[ . 1]" 1
733 1 97 ILE H 1 97 ILE HB 2.100 . 6.000 3.769 3.690 3.829 . 0 0 "[ . 1]" 1
734 1 97 ILE H 1 97 ILE HG13 2.900 . 3.900 2.608 2.421 2.833 . 0 0 "[ . 1]" 1
735 1 97 ILE HA 1 97 ILE HB 2.900 . 4.000 3.010 2.998 3.019 . 0 0 "[ . 1]" 1
736 1 97 ILE HA 1 97 ILE HG13 3.600 . 5.200 3.086 2.896 3.362 . 0 0 "[ . 1]" 1
737 1 98 GLY H 1 99 LYS HB2 2.700 . 6.000 5.689 5.575 5.855 . 0 0 "[ . 1]" 1
738 1 98 GLY HA2 1 99 LYS H 2.800 . 3.800 3.296 3.090 3.438 . 0 0 "[ . 1]" 1
739 1 98 GLY HA3 1 99 LYS H 3.000 . 4.100 2.167 2.139 2.212 . 0 0 "[ . 1]" 1
740 1 99 LYS H 1 100 ASN H 5.400 . 6.000 4.181 4.106 4.277 . 0 0 "[ . 1]" 1
741 1 99 LYS HB2 1 100 ASN H 3.100 . 4.300 3.348 2.891 3.949 . 0 0 "[ . 1]" 1
742 1 99 LYS QD 1 100 ASN H 2.400 . 3.100 3.540 2.950 4.429 1.329 3 4 "[*-+*. 1]" 1
743 1 99 LYS HE2 1 101 ASP QB 3.800 . 5.600 3.411 2.840 5.720 0.120 4 0 "[ . 1]" 1
744 1 99 LYS HG2 1 100 ASN HB2 6.000 . 6.000 5.503 5.247 5.796 . 0 0 "[ . 1]" 1
745 1 100 ASN H 1 100 ASN HB2 2.800 . 3.700 3.229 3.087 3.316 . 0 0 "[ . 1]" 1
746 1 100 ASN H 1 100 ASN HD21 4.100 . 6.000 5.185 4.993 5.300 . 0 0 "[ . 1]" 1
747 1 100 ASN HB2 1 101 ASP H 3.600 . 5.200 3.865 3.784 4.027 . 0 0 "[ . 1]" 1
748 1 101 ASP H 1 101 ASP QB 3.100 . 4.300 3.293 3.237 3.337 . 0 0 "[ . 1]" 1
749 1 101 ASP H 1 102 ALA H 4.200 . 6.000 4.305 4.267 4.346 . 0 0 "[ . 1]" 1
750 1 101 ASP H 1 102 ALA HA 4.400 . 6.000 5.783 5.731 5.851 . 0 0 "[ . 1]" 1
751 1 101 ASP H 1 103 ILE HG12 4.400 . 6.000 4.631 4.420 4.840 . 0 0 "[ . 1]" 1
752 1 101 ASP HA 1 101 ASP QB 3.900 . 5.800 2.185 2.173 2.191 . 0 0 "[ . 1]" 1
753 1 101 ASP HA 1 102 ALA H 2.300 . 3.000 2.734 2.659 2.827 . 0 0 "[ . 1]" 1
754 1 101 ASP HA 1 103 ILE H 2.700 . 6.000 4.077 3.677 4.459 . 0 0 "[ . 1]" 1
755 1 101 ASP QB 1 102 ALA H 2.300 . 3.000 1.844 1.709 1.964 . 0 0 "[ . 1]" 1
756 1 102 ALA HA 1 103 ILE H 3.500 . 5.000 2.542 2.376 2.753 . 0 0 "[ . 1]" 1
757 1 102 ALA HA 1 104 GLY H 3.600 . 5.200 5.114 4.497 6.469 1.269 1 2 "[+ -. 1]" 1
758 1 103 ILE H 1 103 ILE HB 2.500 . 6.000 2.757 2.590 3.010 . 0 0 "[ . 1]" 1
759 1 103 ILE H 1 104 GLY H 2.300 . 3.000 2.955 2.329 4.465 1.465 1 2 "[+ -. 1]" 1
760 1 103 ILE H 1 140 GLU QB 6.000 . 6.000 5.350 4.204 6.208 0.208 9 0 "[ . 1]" 1
761 1 103 ILE HA 1 103 ILE HG12 3.100 . 4.300 3.171 3.068 3.312 . 0 0 "[ . 1]" 1
762 1 103 ILE HB 1 104 GLY H 2.500 . 3.300 2.087 1.733 2.827 . 0 0 "[ . 1]" 1
763 1 104 GLY H 1 105 LYS H 4.200 . 6.000 4.337 4.180 4.600 . 0 0 "[ . 1]" 1
764 1 104 GLY H 1 105 LYS HA 5.000 . 6.000 5.039 4.826 5.735 . 0 0 "[ . 1]" 1
765 1 104 GLY H 1 137 LEU QB 2.600 . 6.000 4.694 4.195 4.956 . 0 0 "[ . 1]" 1
766 1 104 GLY HA2 1 105 LYS H 3.000 . 4.100 2.205 2.129 2.318 . 0 0 "[ . 1]" 1
767 1 104 GLY HA2 1 137 LEU QB 3.200 . 4.500 2.863 2.666 3.275 . 0 0 "[ . 1]" 1
768 1 104 GLY HA2 1 137 LEU HG 4.500 . 6.000 5.068 4.816 5.617 . 0 0 "[ . 1]" 1
769 1 104 GLY HA3 1 105 LYS QB 5.000 . 6.000 4.858 4.705 5.034 . 0 0 "[ . 1]" 1
770 1 104 GLY HA3 1 137 LEU H 3.500 . 5.100 5.177 4.674 5.439 0.339 7 0 "[ . 1]" 1
771 1 104 GLY HA3 1 137 LEU QB 3.600 . 5.300 2.487 2.174 2.670 . 0 0 "[ . 1]" 1
772 1 105 LYS H 1 105 LYS QB 2.900 . 4.000 2.672 2.570 2.794 . 0 0 "[ . 1]" 1
773 1 105 LYS H 1 105 LYS HE3 3.800 . 6.000 5.577 4.063 6.263 0.263 3 0 "[ . 1]" 1
774 1 105 LYS H 1 105 LYS HG2 3.400 . 4.900 4.954 4.638 5.073 0.173 9 0 "[ . 1]" 1
775 1 105 LYS H 1 106 VAL H 5.400 . 6.000 4.260 4.111 4.354 . 0 0 "[ . 1]" 1
776 1 105 LYS H 1 137 LEU HA 3.000 . 4.100 4.088 3.710 4.459 0.359 3 0 "[ . 1]" 1
777 1 105 LYS H 1 137 LEU QB 2.600 . 3.400 2.190 1.898 2.431 . 0 0 "[ . 1]" 1
778 1 105 LYS H 1 138 GLN H 2.600 . 3.500 2.582 2.264 2.828 . 0 0 "[ . 1]" 1
779 1 105 LYS H 1 138 GLN HA 3.500 . 5.000 4.245 4.144 4.396 . 0 0 "[ . 1]" 1
780 1 105 LYS H 1 140 GLU H 3.700 . 5.400 5.663 5.013 6.342 0.942 5 4 "[ + *-*]" 1
781 1 105 LYS HA 1 105 LYS QB 3.200 . 4.400 2.513 2.458 2.545 . 0 0 "[ . 1]" 1
782 1 105 LYS HA 1 105 LYS HG2 3.900 . 5.800 3.274 2.659 3.538 . 0 0 "[ . 1]" 1
783 1 105 LYS HA 1 137 LEU QB 3.300 . 4.700 3.818 3.544 4.005 . 0 0 "[ . 1]" 1
784 1 105 LYS HA 1 138 GLN H 4.000 . 6.000 4.576 4.292 4.961 . 0 0 "[ . 1]" 1
785 1 105 LYS QB 1 139 VAL HB 4.000 . 6.000 5.079 4.539 5.419 . 0 0 "[ . 1]" 1
786 1 105 LYS QB 1 141 GLU HA 3.500 . 6.000 6.193 5.859 6.523 0.523 10 1 "[ . +]" 1
787 1 105 LYS QB 1 105 LYS HE3 4.300 . 6.000 3.757 2.379 4.339 . 0 0 "[ . 1]" 1
788 1 105 LYS QB 1 105 LYS HG2 3.500 . 5.000 2.158 2.132 2.252 . 0 0 "[ . 1]" 1
789 1 105 LYS QB 1 106 VAL H 5.100 . 6.000 3.123 2.786 3.528 . 0 0 "[ . 1]" 1
790 1 105 LYS QB 1 139 VAL HA 3.200 . 4.500 4.091 3.507 4.654 0.154 2 0 "[ . 1]" 1
791 1 105 LYS QB 1 140 GLU HA 3.500 . 5.100 3.220 2.479 3.923 . 0 0 "[ . 1]" 1
792 1 105 LYS QB 1 140 GLU QB 4.600 . 6.000 4.658 3.374 5.489 . 0 0 "[ . 1]" 1
793 1 105 LYS QB 1 142 GLU QB 2.400 . 6.000 4.284 3.815 4.700 . 0 0 "[ . 1]" 1
794 1 105 LYS HE3 1 105 LYS HG2 3.400 . 4.900 3.206 2.564 3.967 . 0 0 "[ . 1]" 1
795 1 105 LYS HG2 1 106 VAL H 3.000 . 4.200 4.251 3.539 4.880 0.680 10 3 "[ - . * +]" 1
796 1 105 LYS HG2 1 140 GLU HA 4.000 . 6.000 4.275 2.909 5.610 . 0 0 "[ . 1]" 1
797 1 106 VAL H 1 106 VAL HA 2.500 . 3.300 2.916 2.873 2.948 . 0 0 "[ . 1]" 1
798 1 106 VAL H 1 106 VAL HB 3.300 . 4.700 3.207 3.051 3.353 . 0 0 "[ . 1]" 1
799 1 106 VAL H 1 137 LEU HA 4.000 . 6.000 5.086 4.760 5.492 . 0 0 "[ . 1]" 1
800 1 106 VAL H 1 137 LEU QB 2.900 . 6.000 4.585 4.379 4.762 . 0 0 "[ . 1]" 1
801 1 106 VAL H 1 139 VAL HA 5.100 . 6.000 7.856 7.343 8.216 2.216 2 10 [*+***-****] 1
802 1 106 VAL H 1 146 MET QG 4.300 . 6.000 7.941 6.951 8.644 2.644 4 10 [-**+******] 1
803 1 106 VAL HA 1 107 PHE H 2.500 . 3.300 2.308 2.244 2.409 . 0 0 "[ . 1]" 1
804 1 106 VAL HB 1 107 PHE H 3.300 . 4.600 3.965 3.891 4.042 . 0 0 "[ . 1]" 1
805 1 107 PHE H 1 107 PHE QD 3.100 . 4.300 2.837 2.397 2.997 . 0 0 "[ . 1]" 1
806 1 107 PHE H 1 146 MET QG 3.700 . 5.400 5.722 4.921 6.501 1.101 6 3 "[ *-.+ 1]" 1
807 1 107 PHE HA 1 108 VAL H 2.800 . 3.800 2.150 2.123 2.166 . 0 0 "[ . 1]" 1
808 1 107 PHE QB 1 108 VAL H 4.600 . 6.000 3.251 3.121 3.477 . 0 0 "[ . 1]" 1
809 1 107 PHE QB 1 146 MET HA 5.400 . 6.000 5.955 5.411 6.606 0.606 6 1 "[ .+ 1]" 1
810 1 107 PHE QB 1 146 MET QG 2.600 . 3.400 4.088 3.309 5.474 2.074 6 4 "[ **.+ -]" 1
811 1 107 PHE QB 1 150 LYS QE 3.500 . 5.000 3.857 2.294 4.745 . 0 0 "[ . 1]" 1
812 1 107 PHE QD 1 108 VAL H 3.800 . 5.600 4.669 4.377 4.968 . 0 0 "[ . 1]" 1
813 1 108 VAL H 1 146 MET QG 3.200 . 6.000 7.819 7.072 9.159 3.159 6 10 [*****+**-*] 1
814 1 108 VAL HB 1 113 THR H 5.200 . 6.000 6.937 6.511 7.443 1.443 9 10 [-*******+*] 1
815 1 108 VAL HB 1 117 LEU HA 3.800 . 5.600 5.401 4.954 6.079 0.479 9 0 "[ . 1]" 1
816 1 109 GLY QA 1 113 THR H 3.600 . 6.000 6.922 6.684 7.054 1.054 8 10 [******-+**] 1
817 1 109 GLY QA 1 117 LEU H 5.000 . 6.000 6.116 5.945 6.461 0.461 1 0 "[ . 1]" 1
818 1 110 TYR HA 1 110 TYR QB 3.100 . 4.300 2.335 2.280 2.394 . 0 0 "[ . 1]" 1
819 1 110 TYR QB 1 151 LYS QB 3.900 . 5.800 4.455 3.909 4.933 . 0 0 "[ . 1]" 1
820 1 111 ASN HA 1 111 ASN HB2 2.900 . 3.900 2.503 2.446 2.543 . 0 0 "[ . 1]" 1
821 1 112 SER HB2 1 116 GLU HB2 4.800 . 6.000 3.713 2.477 4.055 . 0 0 "[ . 1]" 1
822 1 113 THR H 1 113 THR HA 3.000 . 4.100 2.873 2.859 2.901 . 0 0 "[ . 1]" 1
823 1 113 THR H 1 114 GLY H 4.200 . 6.000 4.584 4.492 4.620 . 0 0 "[ . 1]" 1
824 1 113 THR H 1 117 LEU H 2.300 . 3.000 3.860 3.515 4.312 1.312 9 10 [*-******+*] 1
825 1 113 THR H 1 117 LEU HG 4.300 . 6.000 7.196 6.659 7.930 1.930 9 10 [*-******+*] 1
826 1 113 THR H 1 118 ARG H 5.600 . 6.000 6.289 5.896 6.824 0.824 9 2 "[ .- +1]" 1
827 1 113 THR H 1 119 HIS H 6.000 . 6.000 8.089 7.873 8.405 2.405 9 10 [****-***+*] 1
828 1 113 THR HA 1 114 GLY H 2.700 . 3.600 2.471 2.411 2.637 . 0 0 "[ . 1]" 1
829 1 113 THR HA 1 116 GLU H 3.700 . 5.400 5.174 4.935 5.326 . 0 0 "[ . 1]" 1
830 1 113 THR HA 1 117 LEU H 4.100 . 6.000 4.969 4.835 5.113 . 0 0 "[ . 1]" 1
831 1 113 THR HB 1 114 GLY QA 5.200 . 6.000 4.220 4.002 4.342 . 0 0 "[ . 1]" 1
832 1 114 GLY H 1 114 GLY QA 2.600 . 3.500 2.189 2.173 2.210 . 0 0 "[ . 1]" 1
833 1 114 GLY H 1 115 ALA H 3.200 . 4.400 3.012 2.867 3.180 . 0 0 "[ . 1]" 1
834 1 114 GLY H 1 116 GLU QG 4.300 . 6.000 6.509 6.092 6.698 0.698 5 5 "[ -**+ * 1]" 1
835 1 114 GLY H 1 117 LEU H 4.700 . 6.000 5.097 4.830 5.330 . 0 0 "[ . 1]" 1
836 1 114 GLY QA 1 115 ALA H 2.700 . 3.600 2.736 2.450 2.948 . 0 0 "[ . 1]" 1
837 1 114 GLY QA 1 118 ARG QD 2.900 . 3.900 4.832 4.094 5.945 2.045 7 7 "[** **+ *-]" 1
838 1 114 GLY QA 1 121 SER QB 4.300 . 6.000 7.422 7.039 8.157 2.157 7 10 [******+*-*] 1
839 1 115 ALA H 1 116 GLU H 3.000 . 4.100 2.525 2.053 2.991 . 0 0 "[ . 1]" 1
840 1 115 ALA H 1 116 GLU HB2 5.700 . 6.000 4.723 4.020 5.357 . 0 0 "[ . 1]" 1
841 1 115 ALA H 1 116 GLU QG 3.800 . 5.600 4.802 4.371 5.173 . 0 0 "[ . 1]" 1
842 1 115 ALA H 1 117 LEU H 4.600 . 6.000 3.956 3.043 4.752 . 0 0 "[ . 1]" 1
843 1 115 ALA H 1 118 ARG HA 3.400 . 6.000 6.589 5.634 7.279 1.279 1 5 "[+ .*- **]" 1
844 1 115 ALA H 1 118 ARG QD 5.200 . 6.000 5.773 5.016 6.679 0.679 9 2 "[ . - +1]" 1
845 1 115 ALA HA 1 118 ARG HB2 3.200 . 4.500 3.543 2.842 4.440 . 0 0 "[ . 1]" 1
846 1 115 ALA HA 1 118 ARG QD 4.600 . 6.000 3.817 2.770 4.679 . 0 0 "[ . 1]" 1
847 1 116 GLU H 1 116 GLU HB2 2.400 . 3.100 2.619 2.491 2.739 . 0 0 "[ . 1]" 1
848 1 116 GLU H 1 116 GLU QG 2.500 . 3.300 2.677 2.492 2.851 . 0 0 "[ . 1]" 1
849 1 116 GLU H 1 117 LEU HB2 4.100 . 6.000 5.385 4.991 5.609 . 0 0 "[ . 1]" 1
850 1 116 GLU HA 1 116 GLU QG 3.700 . 5.400 2.477 2.330 2.582 . 0 0 "[ . 1]" 1
851 1 116 GLU HB2 1 117 LEU H 2.700 . 3.600 2.237 2.197 2.328 . 0 0 "[ . 1]" 1
852 1 116 GLU HB2 1 118 ARG H 4.400 . 6.000 4.696 4.531 4.884 . 0 0 "[ . 1]" 1
853 1 117 LEU H 1 117 LEU HB2 2.900 . 4.000 2.720 2.463 2.898 . 0 0 "[ . 1]" 1
854 1 117 LEU H 1 118 ARG HB2 4.200 . 6.000 4.878 4.526 5.144 . 0 0 "[ . 1]" 1
855 1 117 LEU HB2 1 120 TRP H 3.500 . 6.000 5.486 5.257 5.685 . 0 0 "[ . 1]" 1
856 1 117 LEU HB2 1 121 SER H 4.200 . 6.000 5.402 4.993 5.870 . 0 0 "[ . 1]" 1
857 1 118 ARG H 1 118 ARG HB2 2.900 . 4.000 2.384 2.222 2.556 . 0 0 "[ . 1]" 1
858 1 118 ARG H 1 118 ARG QD 5.000 . 6.000 4.419 4.358 4.505 . 0 0 "[ . 1]" 1
859 1 118 ARG HB2 1 119 HIS H 3.600 . 5.200 3.789 3.500 4.074 . 0 0 "[ . 1]" 1
860 1 118 ARG QG 1 119 HIS H 2.700 . 3.600 3.984 3.485 4.643 1.043 9 4 "[* * - +1]" 1
861 1 118 ARG QG 1 121 SER HA 3.900 . 5.800 5.445 4.750 6.053 0.253 8 0 "[ . 1]" 1
862 1 118 ARG QG 1 121 SER QB 3.300 . 4.600 5.586 4.832 6.254 1.654 8 7 "[* **-*+*1]" 1
863 1 118 ARG QG 1 122 ASP HB3 3.200 . 4.400 4.200 3.113 5.041 0.641 5 2 "[ + -1]" 1
864 1 119 HIS H 1 119 HIS HB2 2.900 . 4.000 2.368 2.105 2.838 . 0 0 "[ . 1]" 1
865 1 119 HIS H 1 120 TRP HD1 4.500 . 6.000 7.099 6.645 7.446 1.446 7 10 [******+*-*] 1
866 1 119 HIS H 1 133 GLN QE 3.000 . 4.100 4.427 3.875 6.188 2.088 9 2 "[ . - +1]" 1
867 1 119 HIS HA 1 120 TRP H 5.400 . 6.000 3.463 3.434 3.504 . 0 0 "[ . 1]" 1
868 1 119 HIS HA 1 121 SER H 4.700 . 6.000 4.882 4.643 5.279 . 0 0 "[ . 1]" 1
869 1 120 TRP H 1 120 TRP HB2 3.200 . 4.500 2.435 2.394 2.488 . 0 0 "[ . 1]" 1
870 1 120 TRP H 1 121 SER H 3.100 . 4.300 2.889 2.779 3.083 . 0 0 "[ . 1]" 1
871 1 120 TRP H 1 133 GLN QE 5.900 . 6.000 5.581 5.181 6.240 0.240 7 0 "[ . 1]" 1
872 1 120 TRP HB2 1 121 SER H 3.400 . 4.800 3.541 3.436 3.630 . 0 0 "[ . 1]" 1
873 1 120 TRP HD1 1 122 ASP H 4.400 . 6.000 5.201 5.097 5.554 . 0 0 "[ . 1]" 1
874 1 121 SER H 1 121 SER HA 2.400 . 3.100 2.317 2.049 2.468 . 0 0 "[ . 1]" 1
875 1 121 SER H 1 122 ASP H 3.300 . 4.700 3.109 2.517 3.412 . 0 0 "[ . 1]" 1
876 1 121 SER H 1 123 MET H 4.200 . 6.000 4.761 4.275 4.973 . 0 0 "[ . 1]" 1
877 1 121 SER H 1 124 LEU H 3.300 . 6.000 5.412 5.111 5.570 . 0 0 "[ . 1]" 1
878 1 121 SER H 1 125 ALA HA 5.900 . 6.000 6.472 6.208 6.931 0.931 10 4 "[ - * *+]" 1
879 1 121 SER HA 1 122 ASP H 2.400 . 3.100 2.764 2.619 2.936 . 0 0 "[ . 1]" 1
880 1 121 SER QB 1 122 ASP H 4.000 . 6.000 3.820 3.209 4.021 . 0 0 "[ . 1]" 1
881 1 122 ASP H 1 122 ASP HB3 2.000 . 2.500 2.678 2.265 2.898 0.398 8 0 "[ . 1]" 1
882 1 122 ASP H 1 123 MET H 3.000 . 4.100 2.095 1.935 2.371 . 0 0 "[ . 1]" 1
883 1 122 ASP H 1 123 MET QB 4.100 . 6.000 4.112 4.017 4.237 . 0 0 "[ . 1]" 1
884 1 122 ASP HA 1 123 MET H 3.000 . 4.200 3.558 3.463 3.590 . 0 0 "[ . 1]" 1
885 1 122 ASP HA 1 124 LEU H 6.000 . 6.000 5.167 4.912 5.476 . 0 0 "[ . 1]" 1
886 1 122 ASP HA 1 126 ASN H 4.500 . 6.000 5.654 5.320 6.057 0.057 7 0 "[ . 1]" 1
887 1 122 ASP HB3 1 123 MET H 3.200 . 4.500 2.954 2.384 3.738 . 0 0 "[ . 1]" 1
888 1 123 MET H 1 123 MET HA 2.700 . 3.600 2.917 2.899 2.939 . 0 0 "[ . 1]" 1
889 1 123 MET H 1 123 MET QB 2.700 . 3.600 2.367 2.280 2.560 . 0 0 "[ . 1]" 1
890 1 123 MET H 1 124 LEU H 4.500 . 6.000 2.371 2.213 2.468 . 0 0 "[ . 1]" 1
891 1 123 MET H 1 124 LEU HG 3.200 . 6.000 3.889 3.689 4.027 . 0 0 "[ . 1]" 1
892 1 123 MET H 1 126 ASN QD 3.700 . 5.400 8.953 6.885 9.619 4.219 2 10 [*+***-****] 1
893 1 123 MET H 1 131 ILE QG 3.400 . 4.800 6.427 6.183 6.726 1.926 8 10 [****-**+**] 1
894 1 123 MET HA 1 125 ALA H 2.900 . 4.000 3.892 3.829 3.978 . 0 0 "[ . 1]" 1
895 1 123 MET HA 1 129 ARG QG 2.500 . 3.300 5.503 5.108 6.487 3.187 5 10 [-***+*****] 1
896 1 123 MET QB 1 124 LEU H 2.900 . 4.000 2.629 2.367 2.779 . 0 0 "[ . 1]" 1
897 1 123 MET QB 1 129 ARG QB 4.100 . 6.000 4.768 4.431 5.218 . 0 0 "[ . 1]" 1
898 1 123 MET QB 1 129 ARG QG 4.900 . 6.000 6.019 5.491 6.723 0.723 5 2 "[ +- 1]" 1
899 1 124 LEU H 1 125 ALA H 3.100 . 4.300 2.456 2.332 2.608 . 0 0 "[ . 1]" 1
900 1 124 LEU H 1 131 ILE HB 3.800 . 6.000 7.041 6.578 7.394 1.394 5 10 [****+-****] 1
901 1 124 LEU HA 1 124 LEU QB 3.000 . 4.100 2.154 2.149 2.162 . 0 0 "[ . 1]" 1
902 1 124 LEU HA 1 125 ALA HA 3.800 . 5.600 4.656 4.567 4.724 . 0 0 "[ . 1]" 1
903 1 124 LEU HA 1 126 ASN H 2.800 . 3.800 3.431 3.254 3.891 0.091 6 0 "[ . 1]" 1
904 1 124 LEU HA 1 128 ARG H 4.700 . 6.000 6.267 5.920 6.663 0.663 10 1 "[ . +]" 1
905 1 124 LEU HG 1 125 ALA H 3.600 . 5.300 3.838 3.590 4.043 . 0 0 "[ . 1]" 1
906 1 125 ALA H 1 125 ALA HA 2.800 . 3.700 2.881 2.847 2.916 . 0 0 "[ . 1]" 1
907 1 125 ALA H 1 126 ASN H 2.500 . 3.300 2.375 2.289 2.499 . 0 0 "[ . 1]" 1
908 1 125 ALA H 1 126 ASN HA 5.900 . 6.000 5.017 4.952 5.107 . 0 0 "[ . 1]" 1
909 1 125 ALA HA 1 126 ASN H 2.300 . 6.000 3.410 3.360 3.507 . 0 0 "[ . 1]" 1
910 1 126 ASN H 1 126 ASN HA 2.500 . 3.300 2.835 2.799 2.897 . 0 0 "[ . 1]" 1
911 1 126 ASN H 1 126 ASN QB 2.600 . 3.400 2.920 2.842 2.995 . 0 0 "[ . 1]" 1
912 1 126 ASN H 1 126 ASN QD 3.000 . 4.100 4.696 3.372 5.178 1.078 8 6 "[** - +**]" 1
913 1 126 ASN H 1 127 PRO HG2 4.000 . 6.000 4.075 3.446 4.269 . 0 0 "[ . 1]" 1
914 1 126 ASN H 1 129 ARG HA 5.200 . 6.000 9.237 9.049 9.473 3.473 6 10 [*****+-***] 1
915 1 126 ASN H 1 129 ARG QB 3.500 . 5.100 7.381 7.022 7.663 2.563 3 10 [**+***-***] 1
916 1 126 ASN HA 1 126 ASN QB 3.900 . 5.800 2.415 2.357 2.530 . 0 0 "[ . 1]" 1
917 1 126 ASN QB 1 128 ARG H 4.300 . 6.000 6.152 5.863 6.363 0.363 5 0 "[ . 1]" 1
918 1 127 PRO HD2 1 129 ARG QB 4.000 . 6.000 6.001 5.706 6.225 0.225 2 0 "[ . 1]" 1
919 1 128 ARG H 1 128 ARG HA 2.700 . 3.600 2.943 2.933 2.953 . 0 0 "[ . 1]" 1
920 1 128 ARG H 1 128 ARG HB2 3.200 . 4.500 3.653 2.889 3.786 . 0 0 "[ . 1]" 1
921 1 128 ARG H 1 128 ARG QD 3.700 . 5.400 4.114 3.896 4.357 . 0 0 "[ . 1]" 1
922 1 128 ARG H 1 128 ARG HG2 3.400 . 4.900 2.256 1.953 3.336 . 0 0 "[ . 1]" 1
923 1 128 ARG H 1 129 ARG H 2.900 . 4.000 2.430 2.229 2.570 . 0 0 "[ . 1]" 1
924 1 128 ARG HB2 1 129 ARG H 5.800 . 6.000 4.387 3.950 4.476 . 0 0 "[ . 1]" 1
925 1 128 ARG HG2 1 129 ARG H 3.600 . 5.200 4.064 3.689 5.083 . 0 0 "[ . 1]" 1
926 1 129 ARG H 1 129 ARG HA 2.800 . 3.800 2.886 2.850 2.914 . 0 0 "[ . 1]" 1
927 1 129 ARG H 1 129 ARG QB 4.800 . 6.000 2.455 2.234 2.624 . 0 0 "[ . 1]" 1
928 1 131 ILE H 1 131 ILE HA 2.800 . 3.800 2.917 2.878 2.945 . 0 0 "[ . 1]" 1
929 1 131 ILE H 1 131 ILE QG 2.700 . 3.600 2.320 2.116 2.805 . 0 0 "[ . 1]" 1
930 1 131 ILE H 1 132 ALA H 4.600 . 6.000 4.322 4.192 4.420 . 0 0 "[ . 1]" 1
931 1 131 ILE HA 1 132 ALA H 2.700 . 3.600 2.137 2.115 2.167 . 0 0 "[ . 1]" 1
932 1 131 ILE HB 1 132 ALA H 6.000 . 6.000 4.282 4.197 4.364 . 0 0 "[ . 1]" 1
933 1 131 ILE HB 1 133 GLN QB 4.000 . 6.000 5.058 4.456 5.505 . 0 0 "[ . 1]" 1
934 1 132 ALA H 1 133 GLN QB 3.300 . 6.000 5.345 5.129 5.592 . 0 0 "[ . 1]" 1
935 1 132 ALA HA 1 133 GLN QB 4.400 . 6.000 4.200 4.042 4.384 . 0 0 "[ . 1]" 1
936 1 133 GLN H 1 133 GLN HA 2.800 . 3.800 2.929 2.878 2.946 . 0 0 "[ . 1]" 1
937 1 133 GLN H 1 133 GLN QB 2.400 . 3.100 2.917 2.498 3.193 0.093 8 0 "[ . 1]" 1
938 1 133 GLN H 1 133 GLN HG2 3.900 . 5.800 3.213 2.726 4.455 . 0 0 "[ . 1]" 1
939 1 133 GLN H 1 134 TRP H 3.100 . 4.300 4.318 4.201 4.439 0.139 10 0 "[ . 1]" 1
940 1 133 GLN HA 1 133 GLN QB 3.100 . 4.300 2.212 2.165 2.347 . 0 0 "[ . 1]" 1
941 1 133 GLN HA 1 133 GLN HG2 3.200 . 4.500 3.703 2.526 4.024 . 0 0 "[ . 1]" 1
942 1 133 GLN HA 1 134 TRP H 2.700 . 3.600 2.217 2.113 2.326 . 0 0 "[ . 1]" 1
943 1 133 GLN HA 1 134 TRP HD1 3.500 . 5.000 3.757 3.481 4.604 . 0 0 "[ . 1]" 1
944 1 133 GLN QB 1 134 TRP H 3.600 . 5.200 3.069 2.716 3.831 . 0 0 "[ . 1]" 1
945 1 133 GLN HG2 1 134 TRP H 3.400 . 4.800 4.543 2.764 5.369 0.569 8 1 "[ . + 1]" 1
946 1 134 TRP H 1 134 TRP HB2 3.100 . 4.300 3.580 3.323 3.741 . 0 0 "[ . 1]" 1
947 1 134 TRP H 1 134 TRP HD1 2.900 . 4.000 2.628 2.257 3.233 . 0 0 "[ . 1]" 1
948 1 134 TRP H 1 135 HIS H 4.500 . 6.000 4.487 4.357 4.568 . 0 0 "[ . 1]" 1
949 1 134 TRP HB2 1 135 HIS H 3.200 . 4.500 3.097 2.523 3.601 . 0 0 "[ . 1]" 1
950 1 135 HIS H 1 135 HIS HD1 4.700 . 6.000 5.002 4.860 5.111 . 0 0 "[ . 1]" 1
951 1 135 HIS HB3 1 136 THR H 3.600 . 5.200 3.877 3.726 4.000 . 0 0 "[ . 1]" 1
952 1 135 HIS HB3 1 137 LEU QB 4.600 . 6.000 6.257 5.813 6.519 0.519 7 1 "[ . + 1]" 1
953 1 135 HIS HE1 1 136 THR H 4.500 . 6.000 4.350 4.159 4.568 . 0 0 "[ . 1]" 1
954 1 135 HIS HE1 1 138 GLN H 2.900 . 6.000 6.497 6.074 6.779 0.779 2 5 "[ +* * *- 1]" 1
955 1 136 THR H 1 136 THR HB 2.100 . 6.000 3.248 2.892 3.539 . 0 0 "[ . 1]" 1
956 1 136 THR HA 1 137 LEU H 2.700 . 3.600 2.252 2.148 2.351 . 0 0 "[ . 1]" 1
957 1 137 LEU H 1 137 LEU QB 2.500 . 3.300 2.309 2.239 2.381 . 0 0 "[ . 1]" 1
958 1 137 LEU HA 1 137 LEU QB 2.800 . 3.700 2.501 2.483 2.515 . 0 0 "[ . 1]" 1
959 1 137 LEU HA 1 138 GLN H 2.700 . 3.600 2.376 2.206 2.497 . 0 0 "[ . 1]" 1
960 1 137 LEU HA 1 139 VAL H 4.600 . 6.000 6.516 6.417 6.567 0.567 3 6 "[ *+ *-** 1]" 1
961 1 137 LEU HA 1 142 GLU QG 5.200 . 6.000 7.121 6.640 7.756 1.756 3 10 [**+-******] 1
962 1 137 LEU QB 1 137 LEU HG 2.500 . 3.300 2.353 2.319 2.389 . 0 0 "[ . 1]" 1
963 1 137 LEU QB 1 138 GLN H 3.100 . 4.300 2.603 2.317 3.110 . 0 0 "[ . 1]" 1
964 1 138 GLN HB2 1 139 VAL H 3.900 . 5.800 3.368 2.753 3.757 . 0 0 "[ . 1]" 1
965 1 139 VAL H 1 140 GLU QB 2.600 . 6.000 6.387 6.165 6.640 0.640 4 2 "[- +. 1]" 1
966 1 139 VAL H 1 141 GLU QG 3.400 . 6.000 6.065 5.401 6.861 0.861 5 2 "[ - + 1]" 1
967 1 139 VAL HA 1 139 VAL HB 3.000 . 4.100 2.519 2.472 2.572 . 0 0 "[ . 1]" 1
968 1 139 VAL HA 1 140 GLU H 2.400 . 3.100 2.529 2.390 2.654 . 0 0 "[ . 1]" 1
969 1 140 GLU H 1 140 GLU HA 2.500 . 3.300 2.803 2.763 2.835 . 0 0 "[ . 1]" 1
970 1 140 GLU H 1 140 GLU QB 2.000 . 2.500 2.727 2.593 2.940 0.440 4 0 "[ . 1]" 1
971 1 140 GLU H 1 140 GLU HG2 3.900 . 5.800 1.846 1.698 2.232 0.302 1 0 "[ . 1]" 1
972 1 140 GLU H 1 141 GLU H 3.200 . 4.500 2.700 2.538 2.792 . 0 0 "[ . 1]" 1
973 1 140 GLU H 1 141 GLU HB2 6.000 . 6.000 4.945 4.657 5.172 . 0 0 "[ . 1]" 1
974 1 140 GLU H 1 141 GLU QG 3.100 . 4.300 4.187 3.876 5.220 0.920 5 1 "[ + 1]" 1
975 1 140 GLU HA 1 140 GLU QB 3.000 . 4.100 2.190 2.118 2.253 . 0 0 "[ . 1]" 1
976 1 140 GLU HA 1 141 GLU H 3.200 . 4.500 3.481 3.279 3.545 . 0 0 "[ . 1]" 1
977 1 141 GLU H 1 141 GLU HA 2.700 . 3.600 2.786 2.752 2.838 . 0 0 "[ . 1]" 1
978 1 141 GLU H 1 142 GLU H 2.900 . 3.900 2.725 2.502 2.873 . 0 0 "[ . 1]" 1
979 1 141 GLU H 1 143 VAL H 5.100 . 6.000 4.253 3.882 4.533 . 0 0 "[ . 1]" 1
980 1 141 GLU H 1 143 VAL HB 3.200 . 6.000 5.991 5.294 6.422 0.422 3 0 "[ . 1]" 1
981 1 141 GLU HA 1 141 GLU HB2 2.500 . 3.300 3.020 3.015 3.026 . 0 0 "[ . 1]" 1
982 1 142 GLU H 1 142 GLU HA 2.900 . 4.000 2.867 2.809 2.910 . 0 0 "[ . 1]" 1
983 1 142 GLU H 1 142 GLU QB 2.200 . 2.800 2.333 2.114 2.558 . 0 0 "[ . 1]" 1
984 1 142 GLU H 1 143 VAL H 2.800 . 3.700 2.478 2.268 2.693 . 0 0 "[ . 1]" 1
985 1 142 GLU HA 1 142 GLU QB 3.700 . 5.400 2.411 2.319 2.520 . 0 0 "[ . 1]" 1
986 1 142 GLU QB 1 143 VAL H 2.200 . 2.800 2.717 2.383 2.876 0.076 5 0 "[ . 1]" 1
987 1 142 GLU QB 1 143 VAL HA 3.600 . 5.200 3.904 3.748 3.987 . 0 0 "[ . 1]" 1
988 1 142 GLU QB 1 144 ASP H 6.000 . 6.000 4.591 4.441 4.777 . 0 0 "[ . 1]" 1
989 1 142 GLU QB 1 145 ALA H 2.400 . 6.000 5.239 4.830 5.447 . 0 0 "[ . 1]" 1
990 1 142 GLU QB 1 146 MET H 2.500 . 6.000 5.660 5.301 6.086 0.086 6 0 "[ . 1]" 1
991 1 142 GLU QB 1 146 MET QG 2.600 . 6.000 4.279 3.499 4.700 . 0 0 "[ . 1]" 1
992 1 143 VAL H 1 143 VAL HB 2.700 . 3.600 2.454 2.237 2.599 . 0 0 "[ . 1]" 1
993 1 143 VAL H 1 144 ASP H 2.800 . 3.700 2.409 2.194 2.569 . 0 0 "[ . 1]" 1
994 1 143 VAL HA 1 143 VAL HB 2.400 . 3.100 2.643 2.522 3.003 . 0 0 "[ . 1]" 1
995 1 143 VAL HA 1 144 ASP H 3.600 . 5.300 3.465 3.416 3.511 . 0 0 "[ . 1]" 1
996 1 143 VAL HA 1 145 ALA H 3.300 . 4.600 4.190 3.851 4.520 . 0 0 "[ . 1]" 1
997 1 143 VAL HA 1 146 MET H 3.100 . 4.300 3.204 3.068 3.385 . 0 0 "[ . 1]" 1
998 1 143 VAL HA 1 146 MET HB2 3.600 . 5.200 2.237 1.877 2.806 0.123 10 0 "[ . 1]" 1
999 1 144 ASP H 1 144 ASP HA 2.800 . 3.800 2.784 2.752 2.807 . 0 0 "[ . 1]" 1
1000 1 144 ASP H 1 144 ASP HB2 2.400 . 3.100 2.459 2.257 2.576 . 0 0 "[ . 1]" 1
1001 1 144 ASP H 1 145 ALA H 3.000 . 4.100 2.766 2.654 2.866 . 0 0 "[ . 1]" 1
1002 1 144 ASP HA 1 144 ASP HB2 2.700 . 3.600 2.478 2.416 2.592 . 0 0 "[ . 1]" 1
1003 1 144 ASP HB2 1 145 ALA H 3.000 . 4.100 3.843 3.679 4.015 . 0 0 "[ . 1]" 1
1004 1 145 ALA H 1 146 MET QG 4.000 . 6.000 4.904 3.642 5.633 . 0 0 "[ . 1]" 1
1005 1 146 MET H 1 146 MET HA 2.400 . 3.100 2.934 2.899 2.952 . 0 0 "[ . 1]" 1
1006 1 146 MET H 1 146 MET HB2 2.300 . 3.000 2.396 2.170 2.593 . 0 0 "[ . 1]" 1
1007 1 146 MET H 1 146 MET QG 2.600 . 6.000 3.656 2.733 4.053 . 0 0 "[ . 1]" 1
1008 1 146 MET H 1 147 LEU HA 4.000 . 6.000 4.754 4.541 4.985 . 0 0 "[ . 1]" 1
1009 1 146 MET H 1 150 LYS HB3 5.800 . 6.000 5.827 5.095 6.365 0.365 10 0 "[ . 1]" 1
1010 1 146 MET HA 1 146 MET QG 3.900 . 5.800 2.363 2.131 2.853 . 0 0 "[ . 1]" 1
1011 1 146 MET HA 1 148 ALA H 6.000 . 6.000 4.021 3.658 4.317 . 0 0 "[ . 1]" 1
1012 1 146 MET HA 1 150 LYS QG 6.000 . 6.000 5.193 4.009 5.769 . 0 0 "[ . 1]" 1
1013 1 146 MET HB2 1 147 LEU H 3.200 . 4.500 3.633 2.776 4.001 . 0 0 "[ . 1]" 1
1014 1 147 LEU HA 1 147 LEU HB2 3.000 . 4.100 2.421 2.359 2.519 . 0 0 "[ . 1]" 1
1015 1 147 LEU HA 1 150 LYS H 3.500 . 5.100 5.295 4.622 7.343 2.243 10 1 "[ . +]" 1
1016 1 148 ALA H 1 150 LYS H 3.900 . 5.800 5.700 5.177 6.550 0.750 10 1 "[ . +]" 1
1017 1 149 VAL H 1 149 VAL HB 2.900 . 3.900 3.647 3.621 3.687 . 0 0 "[ . 1]" 1
1018 1 149 VAL H 1 150 LYS H 3.200 . 4.400 3.382 3.185 3.644 . 0 0 "[ . 1]" 1
1019 1 149 VAL H 1 151 LYS H 5.400 . 6.000 5.181 4.853 5.478 . 0 0 "[ . 1]" 1
1020 1 149 VAL H 1 151 LYS QG 3.200 . 6.000 6.860 6.352 7.585 1.585 5 8 "[ ***+ *-**]" 1
1021 1 149 VAL HA 1 150 LYS H 2.000 . 2.500 2.244 2.124 2.385 . 0 0 "[ . 1]" 1
1022 1 149 VAL HB 1 150 LYS H 3.600 . 5.200 4.436 4.373 4.460 . 0 0 "[ . 1]" 1
1023 1 150 LYS H 1 150 LYS HA 2.800 . 3.800 2.921 2.865 2.944 . 0 0 "[ . 1]" 1
1024 1 150 LYS H 1 150 LYS QD 2.300 . 3.000 2.979 1.806 4.331 1.331 1 4 "[+ * .- *]" 1
1025 1 150 LYS H 1 150 LYS QG 2.800 . 3.800 2.297 2.032 2.771 . 0 0 "[ . 1]" 1
1026 1 150 LYS H 1 151 LYS H 3.800 . 5.600 2.165 1.932 2.469 0.068 4 0 "[ . 1]" 1
1027 1 150 LYS H 1 151 LYS HA 6.000 . 6.000 4.712 4.031 5.058 . 0 0 "[ . 1]" 1
1028 1 150 LYS H 1 151 LYS QE 6.000 . 6.000 6.510 6.235 6.899 0.899 2 5 "[*+ * *-]" 1
1029 1 150 LYS HB3 1 150 LYS QG 2.400 . 3.100 2.436 2.242 2.526 . 0 0 "[ . 1]" 1
1030 1 150 LYS QD 1 151 LYS H 2.900 . 4.000 4.030 2.766 5.330 1.330 1 3 "[+ - .* 1]" 1
1031 1 150 LYS QG 1 151 LYS QB 4.600 . 6.000 3.116 2.578 3.582 . 0 0 "[ . 1]" 1
1032 1 150 LYS QG 1 151 LYS QE 2.600 . 3.500 4.978 4.436 5.445 1.945 8 10 [*******+*-] 1
1033 1 150 LYS QG 1 151 LYS QG 1.200 . 2.200 2.573 2.298 2.724 0.524 1 2 "[+ .- 1]" 1
1034 1 151 LYS H 1 151 LYS HA 3.000 . 4.100 2.815 2.798 2.832 . 0 0 "[ . 1]" 1
1035 1 151 LYS HA 1 151 LYS QB 3.500 . 5.000 2.183 2.178 2.191 . 0 0 "[ . 1]" 1
1036 1 151 LYS QB 1 151 LYS QE 2.100 . 2.600 2.139 2.132 2.143 . 0 0 "[ . 1]" 1
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