NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556927 |
4b1q   |
18897 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4b1q
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 435
_Distance_constraint_stats_list.Viol_count 1028
_Distance_constraint_stats_list.Viol_total 4885.138
_Distance_constraint_stats_list.Viol_max 1.943
_Distance_constraint_stats_list.Viol_rms 0.1339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0281
_Distance_constraint_stats_list.Viol_average_violations_only 0.2376
_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 ALA 1.216 0.352 7 0 "[ . 1 . 2]"
1 2 HYP 0.136 0.110 2 0 "[ . 1 . 2]"
1 3 TRP 29.664 1.342 2 15 "[ + **** ***** ***- *]"
1 4 LEU 9.903 0.801 11 6 "[ - 1+** * * 2]"
1 5 VAL 18.580 1.342 2 12 "[ + *.** ** ** .**- *]"
1 6 PRO 25.764 0.984 2 8 "[*+* .* *1 - . **]"
1 7 SER 3.289 0.659 7 2 "[ . + - . 2]"
1 8 GLN 9.420 1.173 18 4 "[ .** - . + 2]"
1 9 ILE 89.688 1.943 2 18 "[*+*******1** *******]"
1 10 THR 15.933 1.360 2 5 "[*+ . * 1 . *- 2]"
1 11 THR 11.460 0.509 11 1 "[ . 1+ . 2]"
1 12 CYS 6.616 0.622 7 1 "[ . + 1 . 2]"
1 13 CYS 0.954 0.336 1 0 "[ . 1 . 2]"
1 14 GLY 2.821 0.288 4 0 "[ . 1 . 2]"
1 15 TYR 21.654 0.856 11 19 "[**********+****** **]"
1 16 ASN 20.433 1.036 12 19 "[***********+***** -*]"
1 17 HYP 16.558 1.615 18 6 "[-* ** 1 . + *]"
1 18 GLY 37.174 1.943 2 17 "[*+ ******1** *******]"
1 19 THR 6.517 1.036 12 3 "[ *. 1 + . -2]"
1 20 MET 12.202 1.360 2 5 "[*+ . * 1 . *- 2]"
1 21 CYS 27.705 1.693 10 17 "[* ****- *+****.*****]"
1 22 HYP 0.405 0.071 19 0 "[ . 1 . 2]"
1 23 SER 8.129 0.975 15 5 "[ * . 1 - *+* 2]"
1 24 CYS 24.858 1.275 1 12 "[+* -* *** * . ****]"
1 25 MET 23.744 1.693 10 17 "[* **-** *+****.*****]"
1 26 CYS 2.203 0.448 9 0 "[ . 1 . 2]"
1 27 THR 8.021 1.275 1 5 "[+ . *1- * . *2]"
1 28 ASN 8.636 1.040 8 10 "[ ***-**+ 1* .* * 2]"
1 29 THR 30.797 1.229 17 19 "[***-************+* *]"
1 30 CYS 6.017 0.848 17 1 "[ . 1 . + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 3 TRP H 5.500 . 5.500 5.228 4.208 5.852 0.352 7 0 "[ . 1 . 2]" 1
2 1 2 HYP HA 1 3 TRP H 2.880 . 2.880 2.273 2.089 2.774 . 0 0 "[ . 1 . 2]" 1
3 1 2 HYP HB2 1 3 TRP H 3.650 . 3.650 3.027 1.905 3.760 0.110 2 0 "[ . 1 . 2]" 1
4 1 2 HYP HB2 1 3 TRP H 4.470 . 4.470 3.346 1.916 4.214 . 0 0 "[ . 1 . 2]" 1
5 1 2 HYP HB3 1 3 TRP H 4.470 . 4.470 3.624 2.701 4.328 . 0 0 "[ . 1 . 2]" 1
6 1 3 TRP H 1 3 TRP QB 3.160 . 3.160 2.345 2.162 2.765 . 0 0 "[ . 1 . 2]" 1
7 1 3 TRP H 1 3 TRP HD1 5.050 . 5.050 4.793 4.358 5.035 . 0 0 "[ . 1 . 2]" 1
8 1 3 TRP H 1 3 TRP HE3 5.000 . 5.000 4.796 2.453 5.053 0.053 15 0 "[ . 1 . 2]" 1
9 1 3 TRP H 1 4 LEU H 4.710 . 4.710 4.349 4.130 4.525 . 0 0 "[ . 1 . 2]" 1
10 1 3 TRP H 1 4 LEU QD 5.440 . 5.440 4.618 3.671 5.689 0.249 7 0 "[ . 1 . 2]" 1
11 1 3 TRP HA 1 3 TRP HD1 4.200 . 4.200 4.243 3.984 4.332 0.132 11 0 "[ . 1 . 2]" 1
12 1 3 TRP HA 1 3 TRP HE3 4.280 . 4.280 3.051 2.608 4.217 . 0 0 "[ . 1 . 2]" 1
13 1 3 TRP HA 1 4 LEU H 2.880 . 2.880 2.146 1.999 2.536 . 0 0 "[ . 1 . 2]" 1
14 1 3 TRP HA 1 4 LEU HA 5.160 . 5.160 4.319 4.239 4.393 . 0 0 "[ . 1 . 2]" 1
15 1 3 TRP HA 1 4 LEU QB 4.640 . 4.640 4.382 3.968 4.684 0.044 3 0 "[ . 1 . 2]" 1
16 1 3 TRP QB 1 3 TRP HD1 3.400 . 3.400 2.556 2.423 2.716 . 0 0 "[ . 1 . 2]" 1
17 1 3 TRP QB 1 3 TRP HE3 3.630 . 3.630 2.592 2.395 2.756 . 0 0 "[ . 1 . 2]" 1
18 1 3 TRP QB 1 4 LEU H 3.900 . 3.900 3.683 2.087 3.925 0.025 13 0 "[ . 1 . 2]" 1
19 1 3 TRP QB 1 5 VAL H 5.210 . 5.210 4.775 4.274 5.742 0.532 7 1 "[ . + 1 . 2]" 1
20 1 3 TRP QB 1 5 VAL QG . . 4.740 3.285 2.554 4.305 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP HD1 1 4 LEU H 4.770 . 4.770 4.168 2.829 4.719 . 0 0 "[ . 1 . 2]" 1
22 1 3 TRP HD1 1 4 LEU HA 5.380 . 5.380 4.556 4.047 5.058 . 0 0 "[ . 1 . 2]" 1
23 1 3 TRP HD1 1 4 LEU QB 5.380 . 5.380 5.215 3.797 5.776 0.396 19 0 "[ . 1 . 2]" 1
24 1 3 TRP HD1 1 4 LEU QD 4.920 . 4.920 5.179 3.831 5.721 0.801 11 6 "[ - 1+** * * 2]" 1
25 1 3 TRP HD1 1 5 VAL H 4.930 . 4.930 3.803 3.249 4.714 . 0 0 "[ . 1 . 2]" 1
26 1 3 TRP HD1 1 5 VAL HA 5.320 . 5.320 2.963 1.885 3.575 . 0 0 "[ . 1 . 2]" 1
27 1 3 TRP HD1 1 5 VAL HB 5.140 . 5.140 4.337 3.916 5.150 0.010 2 0 "[ . 1 . 2]" 1
28 1 3 TRP HD1 1 5 VAL QG . . 3.910 2.076 1.691 3.353 . 0 0 "[ . 1 . 2]" 1
29 1 3 TRP HD1 1 6 PRO QD 5.200 . 5.200 4.037 2.705 4.620 . 0 0 "[ . 1 . 2]" 1
30 1 3 TRP HE1 1 5 VAL HA 5.500 . 5.500 3.141 2.581 3.554 . 0 0 "[ . 1 . 2]" 1
31 1 3 TRP HE1 1 5 VAL HB 5.500 . 5.500 4.943 3.883 5.521 0.021 20 0 "[ . 1 . 2]" 1
32 1 3 TRP HE1 1 5 VAL QG . . 4.140 3.241 2.468 4.226 0.086 20 0 "[ . 1 . 2]" 1
33 1 3 TRP HE1 1 6 PRO QD 5.500 . 5.500 3.090 2.141 3.606 . 0 0 "[ . 1 . 2]" 1
34 1 3 TRP HE1 1 6 PRO HG3 5.500 . 5.500 4.907 3.308 5.544 0.044 3 0 "[ . 1 . 2]" 1
35 1 3 TRP HE3 1 4 LEU H 5.500 . 5.500 4.509 3.829 5.602 0.102 3 0 "[ . 1 . 2]" 1
36 1 3 TRP HE3 1 5 VAL QG 5.440 . 5.440 5.861 4.493 6.782 1.342 2 7 "[ + .** 1 ** . *- 2]" 1
37 1 3 TRP HZ2 1 5 VAL QG 5.180 . 5.180 5.408 3.121 6.196 1.016 20 7 "[ * -. ** .* * +]" 1
38 1 3 TRP HZ2 1 6 PRO QD 5.500 . 5.500 4.692 3.684 5.275 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU H 1 4 LEU QB 3.210 . 3.210 2.461 2.300 2.882 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU H 1 4 LEU MD1 4.950 . 4.950 3.149 2.100 4.218 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU H 1 4 LEU QD 4.340 . 4.340 2.372 1.629 3.741 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU H 1 4 LEU MD2 4.950 . 4.950 3.135 1.630 4.207 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU H 1 5 VAL QG 5.440 . 5.440 4.486 4.274 4.918 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU HA 1 4 LEU MD1 4.070 . 4.070 2.960 1.982 4.152 0.082 20 0 "[ . 1 . 2]" 1
45 1 4 LEU HA 1 4 LEU QD 3.180 . 3.180 2.511 1.946 3.447 0.267 7 0 "[ . 1 . 2]" 1
46 1 4 LEU HA 1 4 LEU MD2 4.070 . 4.070 3.209 2.006 4.092 0.022 7 0 "[ . 1 . 2]" 1
47 1 4 LEU HA 1 5 VAL H 2.800 . 2.800 2.101 2.040 2.223 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU HA 1 5 VAL QG 4.310 . 4.310 3.339 3.188 3.532 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU QB 1 5 VAL H 3.890 . 3.890 3.503 2.948 3.927 0.037 6 0 "[ . 1 . 2]" 1
50 1 4 LEU QD 1 5 VAL H 4.700 . 4.700 3.912 2.734 4.418 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL H 1 5 VAL HB 3.710 . 3.710 3.574 2.754 3.723 0.013 14 0 "[ . 1 . 2]" 1
52 1 5 VAL H 1 5 VAL QG . . 3.170 1.930 1.843 2.284 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL H 1 6 PRO QD 4.920 . 4.920 4.323 4.042 4.435 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL HA 1 5 VAL QG 3.280 . 3.280 2.277 2.166 2.374 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL HA 1 6 PRO QB 5.230 . 5.230 4.544 4.399 4.682 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL HA 1 6 PRO QD . . 2.870 2.004 1.750 2.208 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL HA 1 6 PRO HG2 4.600 . 4.600 4.382 4.148 4.652 0.052 3 0 "[ . 1 . 2]" 1
58 1 5 VAL HB 1 6 PRO QD 3.690 . 3.690 2.524 1.776 3.713 0.023 7 0 "[ . 1 . 2]" 1
59 1 5 VAL QG 1 6 PRO HA 4.550 . 4.550 4.307 4.133 4.453 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL QG 1 6 PRO QD . . 3.350 2.830 1.983 3.053 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL QG 1 7 SER H 5.440 . 5.440 5.291 4.887 5.609 0.169 11 0 "[ . 1 . 2]" 1
62 1 5 VAL QG 1 7 SER HA 4.900 . 4.900 4.573 4.061 4.974 0.074 20 0 "[ . 1 . 2]" 1
63 1 6 PRO HA 1 7 SER H 2.710 . 2.710 2.504 2.331 2.719 0.009 14 0 "[ . 1 . 2]" 1
64 1 6 PRO HA 1 7 SER HA 4.740 . 4.740 4.332 4.275 4.389 . 0 0 "[ . 1 . 2]" 1
65 1 6 PRO HA 1 9 ILE MD 4.610 . 4.610 3.852 3.234 4.477 . 0 0 "[ . 1 . 2]" 1
66 1 6 PRO QB 1 9 ILE QG 4.830 . 4.830 2.911 2.525 3.321 . 0 0 "[ . 1 . 2]" 1
67 1 6 PRO HB2 1 7 SER H 3.830 . 3.830 2.330 2.016 2.533 . 0 0 "[ . 1 . 2]" 1
68 1 6 PRO HB3 1 7 SER H 3.830 . 3.830 3.369 3.281 3.498 . 0 0 "[ . 1 . 2]" 1
69 1 6 PRO QD 1 7 SER H 5.470 . 5.470 4.816 4.680 4.875 . 0 0 "[ . 1 . 2]" 1
70 1 6 PRO QD 1 9 ILE QG 5.340 . 5.340 5.692 5.118 6.070 0.730 2 5 "[*+ . *1 . *-]" 1
71 1 6 PRO HG2 1 7 SER H 4.220 . 4.220 4.103 3.780 4.262 0.042 2 0 "[ . 1 . 2]" 1
72 1 6 PRO HG2 1 9 ILE HB 4.600 . 4.600 4.317 3.757 4.649 0.049 3 0 "[ . 1 . 2]" 1
73 1 6 PRO HG2 1 9 ILE MD 3.750 . 3.750 3.971 2.771 4.635 0.885 1 4 "[+* . 1 . -*]" 1
74 1 6 PRO HG2 1 9 ILE QG 3.930 . 3.930 4.349 3.453 4.914 0.984 2 8 "[*+* .* *1 - . **]" 1
75 1 6 PRO HG3 1 7 SER H 4.930 . 4.930 4.850 4.597 4.986 0.056 3 0 "[ . 1 . 2]" 1
76 1 6 PRO HG3 1 9 ILE QG 4.940 . 4.940 5.034 4.422 5.509 0.569 2 1 "[ + . 1 . 2]" 1
77 1 7 SER H 1 7 SER HB2 3.350 . 3.350 2.488 2.331 2.590 . 0 0 "[ . 1 . 2]" 1
78 1 7 SER H 1 7 SER HB3 3.660 . 3.660 3.503 3.445 3.550 . 0 0 "[ . 1 . 2]" 1
79 1 7 SER H 1 8 GLN H 4.470 . 4.470 4.329 4.128 4.482 0.012 12 0 "[ . 1 . 2]" 1
80 1 7 SER H 1 9 ILE MD 5.240 . 5.240 2.700 2.371 3.279 . 0 0 "[ . 1 . 2]" 1
81 1 7 SER H 1 9 ILE QG 5.340 . 5.340 2.903 2.455 3.467 . 0 0 "[ . 1 . 2]" 1
82 1 7 SER H 1 9 ILE MG 5.500 . 5.500 5.233 4.686 5.881 0.381 14 0 "[ . 1 . 2]" 1
83 1 7 SER HA 1 8 GLN H 2.980 . 2.980 2.870 2.698 2.997 0.017 1 0 "[ . 1 . 2]" 1
84 1 7 SER HA 1 8 GLN HA 5.100 . 5.100 4.348 4.229 4.432 . 0 0 "[ . 1 . 2]" 1
85 1 7 SER HA 1 8 GLN HB3 5.310 . 5.310 4.988 4.758 5.232 . 0 0 "[ . 1 . 2]" 1
86 1 7 SER HA 1 8 GLN QG 4.920 . 4.920 4.707 4.394 5.579 0.659 7 2 "[ . + - . 2]" 1
87 1 7 SER HB2 1 8 GLN H 3.570 . 3.570 2.734 2.370 3.069 . 0 0 "[ . 1 . 2]" 1
88 1 7 SER HB2 1 8 GLN HA 5.320 . 5.320 4.693 4.550 4.925 . 0 0 "[ . 1 . 2]" 1
89 1 7 SER HB2 1 9 ILE H 5.500 . 5.500 4.597 4.162 5.283 . 0 0 "[ . 1 . 2]" 1
90 1 7 SER HB2 1 9 ILE MD 4.620 . 4.620 3.209 2.443 4.209 . 0 0 "[ . 1 . 2]" 1
91 1 7 SER HB2 1 9 ILE QG 4.520 . 4.520 2.759 2.269 3.586 . 0 0 "[ . 1 . 2]" 1
92 1 7 SER HB3 1 8 GLN H 3.750 . 3.750 2.181 2.015 2.308 . 0 0 "[ . 1 . 2]" 1
93 1 7 SER HB3 1 8 GLN HA 4.950 . 4.950 4.803 4.687 4.926 . 0 0 "[ . 1 . 2]" 1
94 1 7 SER HB3 1 8 GLN HG2 5.500 . 5.500 3.838 3.083 5.182 . 0 0 "[ . 1 . 2]" 1
95 1 7 SER HB3 1 8 GLN QG 4.730 . 4.730 3.558 3.025 4.396 . 0 0 "[ . 1 . 2]" 1
96 1 7 SER HB3 1 8 GLN HG3 5.500 . 5.500 4.637 3.469 5.472 . 0 0 "[ . 1 . 2]" 1
97 1 7 SER HB3 1 9 ILE MD 5.360 . 5.360 4.698 3.991 5.603 0.243 4 0 "[ . 1 . 2]" 1
98 1 8 GLN H 1 8 GLN HB2 3.650 . 3.650 3.643 3.575 3.674 0.024 3 0 "[ . 1 . 2]" 1
99 1 8 GLN H 1 8 GLN HB3 3.260 . 3.260 2.803 2.625 2.936 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLN H 1 8 GLN HG2 4.210 . 4.210 2.323 1.902 3.563 . 0 0 "[ . 1 . 2]" 1
101 1 8 GLN H 1 8 GLN QG 3.490 . 3.490 2.140 1.880 2.955 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLN H 1 8 GLN HG3 4.210 . 4.210 3.048 2.047 3.832 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLN H 1 9 ILE QG 4.690 . 4.690 3.759 3.406 4.197 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLN HA 1 8 GLN QG 3.470 . 3.470 3.396 3.324 3.571 0.101 10 0 "[ . 1 . 2]" 1
105 1 8 GLN HA 1 9 ILE H 2.720 . 2.720 2.131 2.023 2.232 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLN HA 1 9 ILE HB 5.140 . 5.140 4.835 4.645 4.959 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLN HA 1 9 ILE HG12 4.880 . 4.880 4.914 4.823 4.937 0.057 2 0 "[ . 1 . 2]" 1
108 1 8 GLN HA 1 9 ILE QG 4.120 . 4.120 3.776 3.652 3.874 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLN HA 1 9 ILE HG13 4.880 . 4.880 3.924 3.771 4.050 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLN HB2 1 8 GLN HE22 5.500 . 5.500 4.462 3.485 5.331 . 0 0 "[ . 1 . 2]" 1
111 1 8 GLN HB2 1 9 ILE H 4.090 . 4.090 3.995 3.793 4.121 0.031 2 0 "[ . 1 . 2]" 1
112 1 8 GLN HB3 1 9 ILE H 4.550 . 4.550 4.421 4.283 4.497 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLN QG 1 9 ILE H 4.650 . 4.650 4.449 4.285 4.926 0.276 18 0 "[ . 1 . 2]" 1
114 1 8 GLN QG 1 9 ILE QG 4.760 . 4.760 4.273 3.715 4.857 0.097 18 0 "[ . 1 . 2]" 1
115 1 8 GLN QG 1 9 ILE MG 5.340 . 5.340 5.671 5.329 6.513 1.173 18 2 "[ .- 1 . + 2]" 1
116 1 9 ILE H 1 9 ILE HB 3.170 . 3.170 2.745 2.633 2.886 . 0 0 "[ . 1 . 2]" 1
117 1 9 ILE H 1 9 ILE MD 4.220 . 4.220 3.986 3.725 4.209 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE H 1 9 ILE HG12 3.700 . 3.700 3.589 3.254 3.752 0.052 13 0 "[ . 1 . 2]" 1
119 1 9 ILE H 1 9 ILE HG13 3.700 . 3.700 2.547 2.155 2.826 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE H 1 9 ILE MG 4.110 . 4.110 3.883 3.809 3.937 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE HA 1 9 ILE MD 4.570 . 4.570 3.916 3.843 3.978 . 0 0 "[ . 1 . 2]" 1
122 1 9 ILE HA 1 9 ILE HG12 3.840 . 3.840 2.693 2.568 2.817 . 0 0 "[ . 1 . 2]" 1
123 1 9 ILE HA 1 9 ILE QG 3.230 . 3.230 2.577 2.478 2.677 . 0 0 "[ . 1 . 2]" 1
124 1 9 ILE HA 1 9 ILE HG13 3.840 . 3.840 3.291 3.242 3.342 . 0 0 "[ . 1 . 2]" 1
125 1 9 ILE HA 1 9 ILE MG 3.030 . 3.030 2.314 2.265 2.374 . 0 0 "[ . 1 . 2]" 1
126 1 9 ILE HA 1 10 THR H 2.620 . 2.620 2.242 2.110 2.359 . 0 0 "[ . 1 . 2]" 1
127 1 9 ILE HA 1 10 THR HA 4.460 . 4.460 4.359 4.294 4.453 . 0 0 "[ . 1 . 2]" 1
128 1 9 ILE HB 1 9 ILE MD 3.460 . 3.460 2.491 2.440 2.541 . 0 0 "[ . 1 . 2]" 1
129 1 9 ILE HB 1 10 THR H 3.650 . 3.650 3.703 3.647 3.768 0.118 15 0 "[ . 1 . 2]" 1
130 1 9 ILE MD 1 9 ILE MG 2.850 . 2.850 1.931 1.902 1.954 . 0 0 "[ . 1 . 2]" 1
131 1 9 ILE MD 1 10 THR H 4.830 . 4.830 4.918 4.763 5.026 0.196 12 0 "[ . 1 . 2]" 1
132 1 9 ILE MD 1 17 HYP HB2 4.590 . 4.590 3.475 2.421 5.022 0.432 2 0 "[ . 1 . 2]" 1
133 1 9 ILE MD 1 17 HYP HB3 4.570 . 4.570 4.355 3.194 5.738 1.168 2 5 "[-+ * 1 . * *]" 1
134 1 9 ILE MD 1 18 GLY H 5.130 . 5.130 5.989 5.049 7.073 1.943 2 14 "[*+ **** *1*- *** **]" 1
135 1 9 ILE MD 1 18 GLY QA . . 5.260 4.826 3.418 5.461 0.201 2 0 "[ . 1 . 2]" 1
136 1 9 ILE QG 1 10 THR H 5.080 . 5.080 4.261 4.093 4.377 . 0 0 "[ . 1 . 2]" 1
137 1 9 ILE HG12 1 9 ILE MG 3.430 . 3.430 2.458 2.402 2.511 . 0 0 "[ . 1 . 2]" 1
138 1 9 ILE HG13 1 9 ILE MG 3.430 . 3.430 3.204 3.191 3.216 . 0 0 "[ . 1 . 2]" 1
139 1 9 ILE MG 1 10 THR H 3.500 . 3.500 2.257 2.068 2.394 . 0 0 "[ . 1 . 2]" 1
140 1 9 ILE MG 1 10 THR HA 4.380 . 4.380 4.069 3.869 4.305 . 0 0 "[ . 1 . 2]" 1
141 1 9 ILE MG 1 10 THR HB 4.910 . 4.910 4.046 3.596 4.366 . 0 0 "[ . 1 . 2]" 1
142 1 9 ILE MG 1 11 THR H 5.310 . 5.310 4.816 4.423 5.193 . 0 0 "[ . 1 . 2]" 1
143 1 9 ILE MG 1 11 THR HA 4.820 . 4.820 4.244 3.883 4.702 . 0 0 "[ . 1 . 2]" 1
144 1 9 ILE MG 1 17 HYP HA 4.060 . 4.060 3.495 2.941 4.358 0.298 2 0 "[ . 1 . 2]" 1
145 1 9 ILE MG 1 17 HYP HB2 3.660 . 3.660 3.144 2.218 4.595 0.935 18 3 "[-* . 1 . + 2]" 1
146 1 9 ILE MG 1 17 HYP HB3 3.690 . 3.690 3.754 2.773 5.305 1.615 18 6 "[** *- 1 . + *]" 1
147 1 9 ILE MG 1 18 GLY H 4.300 . 4.300 5.131 4.721 5.982 1.682 2 16 "[*+ ******1** **-** *]" 1
148 1 9 ILE MG 1 18 GLY QA . . 4.180 4.161 3.458 4.686 0.506 2 1 "[ + . 1 . 2]" 1
149 1 10 THR H 1 10 THR HB 3.770 . 3.770 2.704 2.572 2.828 . 0 0 "[ . 1 . 2]" 1
150 1 10 THR H 1 10 THR MG 3.940 . 3.940 3.777 3.618 3.857 . 0 0 "[ . 1 . 2]" 1
151 1 10 THR H 1 11 THR H 4.600 . 4.600 4.433 4.259 4.576 . 0 0 "[ . 1 . 2]" 1
152 1 10 THR H 1 11 THR MG 5.020 . 5.020 5.017 4.679 5.284 0.264 18 0 "[ . 1 . 2]" 1
153 1 10 THR H 1 20 MET QG 5.340 . 5.340 3.663 2.376 4.974 . 0 0 "[ . 1 . 2]" 1
154 1 10 THR HA 1 10 THR MG 2.780 . 2.780 2.241 2.177 2.287 . 0 0 "[ . 1 . 2]" 1
155 1 10 THR HA 1 11 THR H 2.670 . 2.670 2.216 2.005 2.394 . 0 0 "[ . 1 . 2]" 1
156 1 10 THR HA 1 11 THR MG 4.210 . 4.210 3.697 3.546 3.887 . 0 0 "[ . 1 . 2]" 1
157 1 10 THR HB 1 11 THR H 3.550 . 3.550 3.594 3.409 3.705 0.155 14 0 "[ . 1 . 2]" 1
158 1 10 THR HB 1 11 THR HA 4.460 . 4.460 4.444 4.272 4.534 0.074 14 0 "[ . 1 . 2]" 1
159 1 10 THR HB 1 11 THR MG 5.330 . 5.330 5.189 4.966 5.306 . 0 0 "[ . 1 . 2]" 1
160 1 10 THR HB 1 12 CYS H 5.500 . 5.500 5.538 5.342 5.632 0.132 2 0 "[ . 1 . 2]" 1
161 1 10 THR HB 1 20 MET HA 4.250 . 4.250 3.687 3.061 4.024 . 0 0 "[ . 1 . 2]" 1
162 1 10 THR HB 1 20 MET HB2 4.890 . 4.890 3.787 2.652 4.893 0.003 1 0 "[ . 1 . 2]" 1
163 1 10 THR HB 1 20 MET QB 4.200 . 4.200 3.299 2.074 3.833 . 0 0 "[ . 1 . 2]" 1
164 1 10 THR HB 1 20 MET HB3 4.890 . 4.890 4.182 2.087 4.908 0.018 4 0 "[ . 1 . 2]" 1
165 1 10 THR HB 1 20 MET ME 4.550 . 4.550 2.920 2.061 5.152 0.602 8 1 "[ . + 1 . 2]" 1
166 1 10 THR HB 1 20 MET QG . . 4.250 2.100 1.455 3.477 . 0 0 "[ . 1 . 2]" 1
167 1 10 THR MG 1 11 THR H 3.630 . 3.630 2.315 1.946 2.645 . 0 0 "[ . 1 . 2]" 1
168 1 10 THR MG 1 11 THR HA 4.380 . 4.380 4.116 3.870 4.295 . 0 0 "[ . 1 . 2]" 1
169 1 10 THR MG 1 12 CYS H 5.470 . 5.470 4.881 4.548 5.110 . 0 0 "[ . 1 . 2]" 1
170 1 10 THR MG 1 13 CYS H 5.020 . 5.020 4.156 3.594 4.806 . 0 0 "[ . 1 . 2]" 1
171 1 10 THR MG 1 20 MET HA 4.240 . 4.240 4.047 3.350 4.608 0.368 18 0 "[ . 1 . 2]" 1
172 1 10 THR MG 1 20 MET HB2 5.500 . 5.500 4.853 3.705 5.913 0.413 1 0 "[ . 1 . 2]" 1
173 1 10 THR MG 1 20 MET QB 5.260 . 5.260 4.230 2.672 5.006 . 0 0 "[ . 1 . 2]" 1
174 1 10 THR MG 1 20 MET HB3 5.500 . 5.500 4.973 2.704 6.037 0.537 18 1 "[ . 1 . + 2]" 1
175 1 10 THR MG 1 20 MET ME 3.790 . 3.790 3.275 2.308 5.150 1.360 2 3 "[ + . - 1 . * 2]" 1
176 1 10 THR MG 1 20 MET QG . . 3.720 3.164 2.062 4.397 0.677 1 1 "[+ . 1 . 2]" 1
177 1 10 THR MG 1 21 CYS H 5.460 . 5.460 3.782 2.884 4.583 . 0 0 "[ . 1 . 2]" 1
178 1 11 THR H 1 11 THR MG 3.730 . 3.730 2.624 2.420 2.914 . 0 0 "[ . 1 . 2]" 1
179 1 11 THR H 1 12 CYS H 4.490 . 4.490 4.441 4.289 4.519 0.029 18 0 "[ . 1 . 2]" 1
180 1 11 THR H 1 13 CYS H 5.230 . 5.230 4.965 4.457 5.252 0.022 18 0 "[ . 1 . 2]" 1
181 1 11 THR H 1 20 MET HA 5.200 . 5.200 5.003 4.283 5.249 0.049 4 0 "[ . 1 . 2]" 1
182 1 11 THR HA 1 11 THR HB 2.820 . 2.820 2.506 2.464 2.554 . 0 0 "[ . 1 . 2]" 1
183 1 11 THR HA 1 11 THR MG 2.870 . 2.870 2.371 2.321 2.452 . 0 0 "[ . 1 . 2]" 1
184 1 11 THR HA 1 12 CYS H 2.910 . 2.910 2.260 2.195 2.410 . 0 0 "[ . 1 . 2]" 1
185 1 11 THR HA 1 13 CYS H 5.500 . 5.500 5.220 4.848 5.416 . 0 0 "[ . 1 . 2]" 1
186 1 11 THR HA 1 14 GLY H 4.840 . 4.840 4.637 4.476 4.816 . 0 0 "[ . 1 . 2]" 1
187 1 11 THR HA 1 15 TYR H 4.740 . 4.740 4.770 4.702 4.806 0.066 6 0 "[ . 1 . 2]" 1
188 1 11 THR HA 1 17 HYP HA 3.340 . 3.340 2.220 1.766 2.778 . 0 0 "[ . 1 . 2]" 1
189 1 11 THR HA 1 17 HYP HB2 5.500 . 5.500 4.875 4.433 5.355 . 0 0 "[ . 1 . 2]" 1
190 1 11 THR HA 1 17 HYP HB3 5.500 . 5.500 4.043 3.383 4.733 . 0 0 "[ . 1 . 2]" 1
191 1 11 THR HA 1 18 GLY H 5.500 . 5.500 5.017 4.680 5.520 0.020 1 0 "[ . 1 . 2]" 1
192 1 11 THR HA 1 20 MET HA 4.480 . 4.480 3.814 3.390 4.485 0.005 7 0 "[ . 1 . 2]" 1
193 1 11 THR HB 1 12 CYS H 3.260 . 3.260 2.829 2.440 3.065 . 0 0 "[ . 1 . 2]" 1
194 1 11 THR HB 1 13 CYS H 5.000 . 5.000 4.819 4.381 5.042 0.042 13 0 "[ . 1 . 2]" 1
195 1 11 THR HB 1 14 GLY H 3.760 . 3.760 3.103 2.691 3.403 . 0 0 "[ . 1 . 2]" 1
196 1 11 THR HB 1 14 GLY HA2 4.480 . 4.480 3.188 2.990 3.460 . 0 0 "[ . 1 . 2]" 1
197 1 11 THR HB 1 15 TYR H 3.440 . 3.440 2.762 2.612 2.864 . 0 0 "[ . 1 . 2]" 1
198 1 11 THR HB 1 15 TYR HA 5.160 . 5.160 4.436 4.117 4.762 . 0 0 "[ . 1 . 2]" 1
199 1 11 THR HB 1 15 TYR HB2 4.530 . 4.530 4.261 4.065 4.453 . 0 0 "[ . 1 . 2]" 1
200 1 11 THR HB 1 15 TYR HB3 5.280 . 5.280 5.252 5.111 5.340 0.060 11 0 "[ . 1 . 2]" 1
201 1 11 THR HB 1 17 HYP HA 4.430 . 4.430 3.777 3.312 3.989 . 0 0 "[ . 1 . 2]" 1
202 1 11 THR MG 1 12 CYS H 3.770 . 3.770 3.806 3.645 3.914 0.144 12 0 "[ . 1 . 2]" 1
203 1 11 THR MG 1 14 GLY H 4.260 . 4.260 4.230 3.927 4.516 0.256 18 0 "[ . 1 . 2]" 1
204 1 11 THR MG 1 14 GLY HA2 4.160 . 4.160 3.491 3.227 3.726 . 0 0 "[ . 1 . 2]" 1
205 1 11 THR MG 1 14 GLY HA3 4.990 . 4.990 4.915 4.698 5.164 0.174 18 0 "[ . 1 . 2]" 1
206 1 11 THR MG 1 15 TYR H 4.470 . 4.470 4.250 4.062 4.409 . 0 0 "[ . 1 . 2]" 1
207 1 11 THR MG 1 15 TYR HA 4.850 . 4.850 4.974 4.688 5.359 0.509 11 1 "[ . 1+ . 2]" 1
208 1 11 THR MG 1 16 ASN HA 4.850 . 4.850 3.684 3.130 4.546 . 0 0 "[ . 1 . 2]" 1
209 1 11 THR MG 1 17 HYP HA 3.310 . 3.310 2.159 1.696 2.640 . 0 0 "[ . 1 . 2]" 1
210 1 11 THR MG 1 17 HYP HB2 4.100 . 4.100 3.691 3.417 4.038 . 0 0 "[ . 1 . 2]" 1
211 1 11 THR MG 1 17 HYP HB3 4.310 . 4.310 2.380 2.106 2.833 . 0 0 "[ . 1 . 2]" 1
212 1 11 THR MG 1 18 GLY H 4.700 . 4.700 4.642 4.407 5.077 0.377 1 0 "[ . 1 . 2]" 1
213 1 11 THR MG 1 19 THR H 5.000 . 5.000 4.899 4.489 5.175 0.175 9 0 "[ . 1 . 2]" 1
214 1 12 CYS H 1 12 CYS QB 3.490 . 3.490 2.285 2.234 2.334 . 0 0 "[ . 1 . 2]" 1
215 1 12 CYS H 1 13 CYS H 4.360 . 4.360 4.143 3.927 4.277 . 0 0 "[ . 1 . 2]" 1
216 1 12 CYS H 1 14 GLY H 4.700 . 4.700 4.110 3.784 4.285 . 0 0 "[ . 1 . 2]" 1
217 1 12 CYS H 1 14 GLY HA2 5.500 . 5.500 5.453 5.256 5.524 0.024 10 0 "[ . 1 . 2]" 1
218 1 12 CYS H 1 15 TYR H 4.040 . 4.040 3.643 3.347 3.831 . 0 0 "[ . 1 . 2]" 1
219 1 12 CYS H 1 15 TYR HB2 3.940 . 3.940 3.926 3.133 4.044 0.104 5 0 "[ . 1 . 2]" 1
220 1 12 CYS H 1 15 TYR HB3 5.390 . 5.390 5.332 4.653 5.464 0.074 12 0 "[ . 1 . 2]" 1
221 1 12 CYS H 1 17 HYP HA 4.760 . 4.760 3.868 3.474 4.269 . 0 0 "[ . 1 . 2]" 1
222 1 12 CYS H 1 19 THR H 5.000 . 5.000 3.831 3.630 4.060 . 0 0 "[ . 1 . 2]" 1
223 1 12 CYS H 1 19 THR HA 5.500 . 5.500 5.233 4.730 5.504 0.004 7 0 "[ . 1 . 2]" 1
224 1 12 CYS H 1 21 CYS QB 5.340 . 5.340 5.242 4.517 5.962 0.622 7 1 "[ . + 1 . 2]" 1
225 1 12 CYS HA 1 13 CYS H 3.010 . 3.010 2.165 2.102 2.253 . 0 0 "[ . 1 . 2]" 1
226 1 12 CYS HA 1 14 GLY H 4.780 . 4.780 3.954 3.743 4.219 . 0 0 "[ . 1 . 2]" 1
227 1 12 CYS HA 1 15 TYR H 5.500 . 5.500 4.561 4.397 4.679 . 0 0 "[ . 1 . 2]" 1
228 1 12 CYS HA 1 20 MET HA 4.040 . 4.040 2.961 2.680 3.281 . 0 0 "[ . 1 . 2]" 1
229 1 12 CYS HA 1 21 CYS H 3.940 . 3.940 2.307 1.901 2.790 . 0 0 "[ . 1 . 2]" 1
230 1 12 CYS HA 1 21 CYS QB 4.660 . 4.660 2.910 1.825 4.061 . 0 0 "[ . 1 . 2]" 1
231 1 12 CYS QB 1 13 CYS H . . 4.670 3.980 3.939 4.042 . 0 0 "[ . 1 . 2]" 1
232 1 12 CYS QB 1 15 TYR H 5.280 . 5.280 3.970 3.502 4.104 . 0 0 "[ . 1 . 2]" 1
233 1 12 CYS QB 1 15 TYR HB2 3.400 . 3.400 3.135 2.086 3.391 . 0 0 "[ . 1 . 2]" 1
234 1 12 CYS QB 1 19 THR HB 4.830 . 4.830 2.467 2.057 2.860 . 0 0 "[ . 1 . 2]" 1
235 1 12 CYS QB 1 19 THR MG 4.820 . 4.820 3.750 3.423 4.137 . 0 0 "[ . 1 . 2]" 1
236 1 12 CYS QB 1 20 MET H . . 4.090 3.261 2.964 3.545 . 0 0 "[ . 1 . 2]" 1
237 1 12 CYS QB 1 20 MET HA 4.310 . 4.310 2.767 2.555 3.019 . 0 0 "[ . 1 . 2]" 1
238 1 12 CYS QB 1 21 CYS H 4.990 . 4.990 3.251 2.912 3.521 . 0 0 "[ . 1 . 2]" 1
239 1 12 CYS QB 1 21 CYS HA 5.500 . 5.500 4.577 4.240 4.941 . 0 0 "[ . 1 . 2]" 1
240 1 12 CYS QB 1 21 CYS QB 4.630 . 4.630 3.361 3.142 3.545 . 0 0 "[ . 1 . 2]" 1
241 1 13 CYS H 1 14 GLY H 3.760 . 3.760 2.645 2.522 2.831 . 0 0 "[ . 1 . 2]" 1
242 1 13 CYS H 1 15 TYR H 4.940 . 4.940 4.101 3.973 4.285 . 0 0 "[ . 1 . 2]" 1
243 1 13 CYS H 1 15 TYR QD 5.500 . 5.500 4.825 4.533 5.572 0.072 1 0 "[ . 1 . 2]" 1
244 1 13 CYS H 1 21 CYS H 5.230 . 5.230 3.785 3.146 4.432 . 0 0 "[ . 1 . 2]" 1
245 1 13 CYS HA 1 14 GLY H 3.420 . 3.420 2.950 2.872 3.131 . 0 0 "[ . 1 . 2]" 1
246 1 13 CYS HA 1 15 TYR H 4.940 . 4.940 4.492 4.342 4.617 . 0 0 "[ . 1 . 2]" 1
247 1 13 CYS HA 1 26 CYS HB3 4.370 . 4.370 2.978 2.179 3.764 . 0 0 "[ . 1 . 2]" 1
248 1 13 CYS QB 1 14 GLY H 4.650 . 4.650 3.786 3.642 3.860 . 0 0 "[ . 1 . 2]" 1
249 1 13 CYS QB 1 15 TYR H . . 4.370 3.649 3.449 3.849 . 0 0 "[ . 1 . 2]" 1
250 1 13 CYS QB 1 15 TYR QD . . 3.680 2.291 1.655 4.016 0.336 1 0 "[ . 1 . 2]" 1
251 1 13 CYS QB 1 15 TYR QE 4.220 . 4.220 2.516 2.142 3.854 . 0 0 "[ . 1 . 2]" 1
252 1 13 CYS QB 1 26 CYS HA 3.960 . 3.960 3.399 2.258 4.167 0.207 13 0 "[ . 1 . 2]" 1
253 1 14 GLY H 1 15 TYR H 3.440 . 3.440 2.449 2.127 2.576 . 0 0 "[ . 1 . 2]" 1
254 1 14 GLY H 1 15 TYR HB2 5.140 . 5.140 4.695 4.361 4.865 . 0 0 "[ . 1 . 2]" 1
255 1 14 GLY H 1 15 TYR QD 5.010 . 5.010 4.526 3.822 5.118 0.108 11 0 "[ . 1 . 2]" 1
256 1 14 GLY HA3 1 15 TYR QD 4.900 . 4.900 4.830 4.158 5.188 0.288 4 0 "[ . 1 . 2]" 1
257 1 15 TYR H 1 15 TYR HB2 3.320 . 3.320 2.436 2.381 2.486 . 0 0 "[ . 1 . 2]" 1
258 1 15 TYR H 1 15 TYR HB3 3.650 . 3.650 3.652 3.627 3.691 0.041 2 0 "[ . 1 . 2]" 1
259 1 15 TYR H 1 15 TYR QD 3.520 . 3.520 3.019 2.509 3.436 . 0 0 "[ . 1 . 2]" 1
260 1 15 TYR H 1 16 ASN H 4.670 . 4.670 3.178 2.839 4.399 . 0 0 "[ . 1 . 2]" 1
261 1 15 TYR HA 1 15 TYR QD 3.280 . 3.280 2.563 2.014 3.186 . 0 0 "[ . 1 . 2]" 1
262 1 15 TYR HA 1 15 TYR QE 4.740 . 4.740 4.502 4.253 4.771 0.031 10 0 "[ . 1 . 2]" 1
263 1 15 TYR HA 1 16 ASN H 3.370 . 3.370 3.391 2.841 3.473 0.103 16 0 "[ . 1 . 2]" 1
264 1 15 TYR HB2 1 16 ASN H 4.070 . 4.070 2.021 1.724 2.877 . 0 0 "[ . 1 . 2]" 1
265 1 15 TYR HB2 1 16 ASN QD 5.340 . 5.340 3.855 2.967 4.927 . 0 0 "[ . 1 . 2]" 1
266 1 15 TYR HB3 1 16 ASN H 3.650 . 3.650 2.395 1.652 2.734 . 0 0 "[ . 1 . 2]" 1
267 1 15 TYR HB3 1 16 ASN QD 4.860 . 4.860 3.070 2.241 4.290 . 0 0 "[ . 1 . 2]" 1
268 1 15 TYR QD 1 16 ASN H 4.240 . 4.240 3.951 3.752 4.105 . 0 0 "[ . 1 . 2]" 1
269 1 15 TYR QD 1 16 ASN HA 5.190 . 5.190 5.851 5.611 6.046 0.856 11 19 "[*******-**+****** **]" 1
270 1 15 TYR QD 1 16 ASN QB 5.500 . 5.500 5.386 5.180 5.521 0.021 20 0 "[ . 1 . 2]" 1
271 1 16 ASN H 1 16 ASN QB 3.900 . 3.900 2.528 2.350 2.723 . 0 0 "[ . 1 . 2]" 1
272 1 16 ASN H 1 16 ASN QD 5.310 . 5.310 3.104 2.184 4.132 . 0 0 "[ . 1 . 2]" 1
273 1 16 ASN HA 1 17 HYP HB2 5.460 . 5.460 5.454 5.274 5.521 0.061 15 0 "[ . 1 . 2]" 1
274 1 16 ASN HA 1 17 HYP HB3 4.980 . 4.980 4.869 4.632 5.052 0.072 10 0 "[ . 1 . 2]" 1
275 1 16 ASN QB 1 18 GLY H 4.540 . 4.540 2.475 2.212 3.110 . 0 0 "[ . 1 . 2]" 1
276 1 16 ASN QB 1 19 THR H . . 5.200 3.105 2.808 3.425 . 0 0 "[ . 1 . 2]" 1
277 1 16 ASN QB 1 19 THR HB 5.170 . 5.170 4.504 3.890 4.985 . 0 0 "[ . 1 . 2]" 1
278 1 16 ASN QB 1 19 THR MG . . 3.760 3.466 2.664 4.184 0.424 12 0 "[ . 1 . 2]" 1
279 1 16 ASN QD 1 19 THR MG . . 4.180 4.108 3.230 5.216 1.036 12 3 "[ *. 1 + . -2]" 1
280 1 17 HYP HA 1 19 THR H 3.890 . 3.890 3.550 3.301 3.741 . 0 0 "[ . 1 . 2]" 1
281 1 17 HYP HB2 1 19 THR H 5.100 . 5.100 5.018 4.803 5.129 0.029 18 0 "[ . 1 . 2]" 1
282 1 17 HYP HB3 1 19 THR H 5.470 . 5.470 5.457 5.282 5.526 0.056 18 0 "[ . 1 . 2]" 1
283 1 18 GLY H 1 19 THR H 3.290 . 3.290 2.465 2.306 2.630 . 0 0 "[ . 1 . 2]" 1
284 1 18 GLY H 1 19 THR MG 5.230 . 5.230 4.379 3.712 4.813 . 0 0 "[ . 1 . 2]" 1
285 1 18 GLY QA 1 19 THR H 3.550 . 3.550 2.855 2.769 2.917 . 0 0 "[ . 1 . 2]" 1
286 1 18 GLY QA 1 19 THR HA 5.370 . 5.370 4.002 3.949 4.061 . 0 0 "[ . 1 . 2]" 1
287 1 18 GLY QA 1 19 THR MG . . 4.210 3.602 3.436 3.785 . 0 0 "[ . 1 . 2]" 1
288 1 19 THR H 1 19 THR HB 3.950 . 3.950 3.661 3.529 3.793 . 0 0 "[ . 1 . 2]" 1
289 1 19 THR H 1 19 THR MG 3.370 . 3.370 3.127 2.836 3.414 0.044 4 0 "[ . 1 . 2]" 1
290 1 19 THR H 1 20 MET H 4.640 . 4.640 4.360 4.253 4.469 . 0 0 "[ . 1 . 2]" 1
291 1 19 THR HA 1 19 THR HB 2.910 . 2.910 2.575 2.497 2.673 . 0 0 "[ . 1 . 2]" 1
292 1 19 THR HA 1 19 THR MG 2.790 . 2.790 2.282 2.195 2.357 . 0 0 "[ . 1 . 2]" 1
293 1 19 THR HA 1 20 MET H 2.780 . 2.780 2.277 2.183 2.472 . 0 0 "[ . 1 . 2]" 1
294 1 19 THR HB 1 20 MET H 2.900 . 2.900 2.825 2.529 2.942 0.042 3 0 "[ . 1 . 2]" 1
295 1 19 THR HB 1 20 MET HA 5.050 . 5.050 4.331 4.170 4.502 . 0 0 "[ . 1 . 2]" 1
296 1 19 THR MG 1 20 MET H 4.150 . 4.150 3.584 3.302 3.814 . 0 0 "[ . 1 . 2]" 1
297 1 19 THR MG 1 20 MET HA 5.500 . 5.500 5.386 5.271 5.482 . 0 0 "[ . 1 . 2]" 1
298 1 20 MET H 1 20 MET QB 3.520 . 3.520 2.621 2.509 2.733 . 0 0 "[ . 1 . 2]" 1
299 1 20 MET H 1 20 MET QG 4.450 . 4.450 3.883 2.892 4.396 . 0 0 "[ . 1 . 2]" 1
300 1 20 MET H 1 21 CYS H 4.390 . 4.390 4.254 4.038 4.394 0.004 11 0 "[ . 1 . 2]" 1
301 1 20 MET H 1 21 CYS HA 5.500 . 5.500 4.832 4.545 5.134 . 0 0 "[ . 1 . 2]" 1
302 1 20 MET HA 1 20 MET ME 4.570 . 4.570 4.376 3.736 4.758 0.188 6 0 "[ . 1 . 2]" 1
303 1 20 MET HA 1 20 MET QG 3.580 . 3.580 2.522 2.308 3.169 . 0 0 "[ . 1 . 2]" 1
304 1 20 MET HA 1 21 CYS H 2.770 . 2.770 2.156 1.979 2.264 . 0 0 "[ . 1 . 2]" 1
305 1 20 MET HA 1 21 CYS HA 4.940 . 4.940 4.384 4.297 4.482 . 0 0 "[ . 1 . 2]" 1
306 1 20 MET HA 1 21 CYS QB 4.720 . 4.720 4.307 4.140 4.444 . 0 0 "[ . 1 . 2]" 1
307 1 20 MET QB 1 21 CYS H 3.640 . 3.640 3.409 2.532 3.783 0.143 2 0 "[ . 1 . 2]" 1
308 1 20 MET QB 1 21 CYS HA 4.880 . 4.880 4.322 3.701 4.644 . 0 0 "[ . 1 . 2]" 1
309 1 20 MET QG 1 21 CYS H 4.580 . 4.580 3.099 2.579 3.910 . 0 0 "[ . 1 . 2]" 1
310 1 20 MET QG 1 21 CYS HA 5.340 . 5.340 4.413 3.224 5.627 0.287 17 0 "[ . 1 . 2]" 1
311 1 21 CYS H 1 21 CYS HB2 4.120 . 4.120 3.151 2.645 4.039 . 0 0 "[ . 1 . 2]" 1
312 1 21 CYS H 1 21 CYS QB 3.620 . 3.620 2.876 2.595 3.354 . 0 0 "[ . 1 . 2]" 1
313 1 21 CYS H 1 21 CYS HB3 4.120 . 4.120 3.686 3.287 3.937 . 0 0 "[ . 1 . 2]" 1
314 1 21 CYS HA 1 22 HYP HB2 5.500 . 5.500 5.425 5.264 5.547 0.047 19 0 "[ . 1 . 2]" 1
315 1 21 CYS HA 1 22 HYP HB3 5.500 . 5.500 5.189 4.943 5.448 . 0 0 "[ . 1 . 2]" 1
316 1 21 CYS HA 1 25 MET ME 4.550 . 4.550 5.590 4.529 6.243 1.693 10 17 "[* **-** *+****.*****]" 1
317 1 21 CYS HA 1 25 MET HG2 5.500 . 5.500 5.112 4.286 5.529 0.029 10 0 "[ . 1 . 2]" 1
318 1 21 CYS HA 1 25 MET QG 4.690 . 4.690 4.103 3.182 4.582 . 0 0 "[ . 1 . 2]" 1
319 1 21 CYS HA 1 25 MET HG3 5.500 . 5.500 4.346 3.265 4.891 . 0 0 "[ . 1 . 2]" 1
320 1 21 CYS QB 1 25 MET QB 4.570 . 4.570 2.570 1.905 4.513 . 0 0 "[ . 1 . 2]" 1
321 1 21 CYS QB 1 25 MET ME 4.240 . 4.240 4.008 3.112 4.690 0.450 1 0 "[ . 1 . 2]" 1
322 1 22 HYP HA 1 23 SER H 2.700 . 2.700 2.292 2.145 2.411 . 0 0 "[ . 1 . 2]" 1
323 1 22 HYP HA 1 23 SER HA 5.500 . 5.500 4.276 4.217 4.351 . 0 0 "[ . 1 . 2]" 1
324 1 22 HYP HA 1 23 SER QB 4.900 . 4.900 4.531 3.957 4.679 . 0 0 "[ . 1 . 2]" 1
325 1 22 HYP HA 1 24 CYS H 4.530 . 4.530 4.246 3.787 4.563 0.033 2 0 "[ . 1 . 2]" 1
326 1 22 HYP HB2 1 23 SER H 4.020 . 4.020 2.989 2.652 3.427 . 0 0 "[ . 1 . 2]" 1
327 1 22 HYP HB2 1 24 CYS H 3.940 . 3.940 2.584 2.395 2.813 . 0 0 "[ . 1 . 2]" 1
328 1 22 HYP HB2 1 25 MET H 4.020 . 4.020 3.184 2.727 3.542 . 0 0 "[ . 1 . 2]" 1
329 1 22 HYP HB2 1 25 MET HG2 4.980 . 4.980 3.641 2.666 4.673 . 0 0 "[ . 1 . 2]" 1
330 1 22 HYP HB2 1 25 MET QG 4.290 . 4.290 3.436 2.640 3.850 . 0 0 "[ . 1 . 2]" 1
331 1 22 HYP HB2 1 25 MET HG3 4.980 . 4.980 4.623 3.351 5.017 0.037 11 0 "[ . 1 . 2]" 1
332 1 22 HYP HB3 1 23 SER H 3.750 . 3.750 3.281 2.897 3.549 . 0 0 "[ . 1 . 2]" 1
333 1 22 HYP HB3 1 24 CYS H 4.180 . 4.180 3.982 3.290 4.251 0.071 19 0 "[ . 1 . 2]" 1
334 1 22 HYP HB3 1 25 MET H 5.190 . 5.190 4.810 4.390 5.079 . 0 0 "[ . 1 . 2]" 1
335 1 23 SER H 1 23 SER QB 3.110 . 3.110 2.472 2.126 2.574 . 0 0 "[ . 1 . 2]" 1
336 1 23 SER H 1 24 CYS H 3.370 . 3.370 2.776 2.543 2.938 . 0 0 "[ . 1 . 2]" 1
337 1 23 SER H 1 24 CYS HB2 5.500 . 5.500 5.178 4.838 5.420 . 0 0 "[ . 1 . 2]" 1
338 1 23 SER H 1 24 CYS QB 4.720 . 4.720 4.541 4.303 4.739 0.019 19 0 "[ . 1 . 2]" 1
339 1 23 SER H 1 24 CYS HB3 5.500 . 5.500 5.034 4.704 5.338 . 0 0 "[ . 1 . 2]" 1
340 1 23 SER H 1 25 MET H 4.820 . 4.820 4.220 4.137 4.383 . 0 0 "[ . 1 . 2]" 1
341 1 23 SER H 1 26 CYS H 5.500 . 5.500 5.083 4.857 5.297 . 0 0 "[ . 1 . 2]" 1
342 1 23 SER H 1 26 CYS HB2 5.500 . 5.500 5.331 4.788 5.537 0.037 18 0 "[ . 1 . 2]" 1
343 1 23 SER HA 1 23 SER QB 2.620 . 2.620 2.318 2.159 2.403 . 0 0 "[ . 1 . 2]" 1
344 1 23 SER HA 1 26 CYS HB2 4.490 . 4.490 2.738 2.282 3.112 . 0 0 "[ . 1 . 2]" 1
345 1 23 SER HA 1 27 THR H 4.340 . 4.340 3.935 3.300 4.369 0.029 11 0 "[ . 1 . 2]" 1
346 1 23 SER QB 1 24 CYS H 3.620 . 3.620 2.704 2.484 3.359 . 0 0 "[ . 1 . 2]" 1
347 1 23 SER QB 1 24 CYS HA 4.310 . 4.310 3.965 3.809 4.268 . 0 0 "[ . 1 . 2]" 1
348 1 23 SER QB 1 24 CYS HB2 5.380 . 5.380 4.276 3.892 4.798 . 0 0 "[ . 1 . 2]" 1
349 1 23 SER QB 1 24 CYS QB 4.730 . 4.730 4.022 3.718 4.524 . 0 0 "[ . 1 . 2]" 1
350 1 23 SER QB 1 24 CYS HB3 5.380 . 5.380 4.904 4.670 5.537 0.157 10 0 "[ . 1 . 2]" 1
351 1 23 SER QB 1 25 MET H 4.990 . 4.990 4.587 4.438 4.798 . 0 0 "[ . 1 . 2]" 1
352 1 23 SER QB 1 26 CYS H 5.270 . 5.270 4.602 4.403 5.033 . 0 0 "[ . 1 . 2]" 1
353 1 23 SER QB 1 26 CYS HB2 5.490 . 5.490 4.152 3.572 4.971 . 0 0 "[ . 1 . 2]" 1
354 1 23 SER QB 1 27 THR MG 5.040 . 5.040 3.780 3.103 4.533 . 0 0 "[ . 1 . 2]" 1
355 1 23 SER QB 1 29 THR H 5.500 . 5.500 5.759 3.934 6.475 0.975 15 5 "[ * . 1 - *+* 2]" 1
356 1 24 CYS H 1 24 CYS HB2 3.610 . 3.610 2.573 2.443 2.648 . 0 0 "[ . 1 . 2]" 1
357 1 24 CYS H 1 24 CYS QB 2.920 . 2.920 2.267 2.173 2.346 . 0 0 "[ . 1 . 2]" 1
358 1 24 CYS H 1 24 CYS HB3 3.610 . 3.610 2.526 2.317 2.630 . 0 0 "[ . 1 . 2]" 1
359 1 24 CYS H 1 25 MET H 3.460 . 3.460 2.712 2.591 2.842 . 0 0 "[ . 1 . 2]" 1
360 1 24 CYS H 1 25 MET QB 4.910 . 4.910 4.799 4.606 5.175 0.265 8 0 "[ . 1 . 2]" 1
361 1 24 CYS H 1 26 CYS H 4.820 . 4.820 4.028 3.842 4.188 . 0 0 "[ . 1 . 2]" 1
362 1 24 CYS H 1 27 THR MG 5.500 . 5.500 5.754 4.844 6.775 1.275 1 5 "[+ . *1- * . *2]" 1
363 1 24 CYS HA 1 24 CYS QB 2.640 . 2.640 2.351 2.294 2.388 . 0 0 "[ . 1 . 2]" 1
364 1 24 CYS HA 1 27 THR H 4.040 . 4.040 3.631 3.304 4.133 0.093 1 0 "[ . 1 . 2]" 1
365 1 24 CYS HA 1 28 ASN H 4.620 . 4.620 3.488 3.026 3.874 . 0 0 "[ . 1 . 2]" 1
366 1 24 CYS HA 1 28 ASN HA 4.330 . 4.330 4.150 2.702 4.391 0.061 10 0 "[ . 1 . 2]" 1
367 1 24 CYS HA 1 29 THR H 3.470 . 3.470 3.031 2.667 3.500 0.030 17 0 "[ . 1 . 2]" 1
368 1 24 CYS HA 1 29 THR HA 4.890 . 4.890 4.655 4.196 4.931 0.041 15 0 "[ . 1 . 2]" 1
369 1 24 CYS HA 1 30 CYS HA 4.330 . 4.330 3.194 2.582 4.412 0.082 1 0 "[ . 1 . 2]" 1
370 1 24 CYS QB 1 25 MET HA 5.010 . 5.010 4.350 4.210 4.530 . 0 0 "[ . 1 . 2]" 1
371 1 24 CYS QB 1 26 CYS H 5.140 . 5.140 4.656 4.512 4.851 . 0 0 "[ . 1 . 2]" 1
372 1 24 CYS QB 1 29 THR H 4.160 . 4.160 4.735 4.276 5.389 1.229 17 10 "[** -* ** * . +* *]" 1
373 1 24 CYS QB 1 30 CYS H 4.000 . 4.000 4.260 3.961 4.848 0.848 17 1 "[ . 1 . + 2]" 1
374 1 24 CYS QB 1 30 CYS HA 3.280 . 3.280 2.188 1.771 3.539 0.259 1 0 "[ . 1 . 2]" 1
375 1 24 CYS HB2 1 25 MET H 4.660 . 4.660 4.203 4.107 4.314 . 0 0 "[ . 1 . 2]" 1
376 1 24 CYS HB3 1 25 MET H 4.660 . 4.660 3.135 2.882 3.458 . 0 0 "[ . 1 . 2]" 1
377 1 25 MET H 1 25 MET HB2 3.670 . 3.670 2.566 2.341 3.711 0.041 8 0 "[ . 1 . 2]" 1
378 1 25 MET H 1 25 MET QB 3.050 . 3.050 2.437 2.312 2.803 . 0 0 "[ . 1 . 2]" 1
379 1 25 MET H 1 25 MET HB3 3.670 . 3.670 3.552 2.735 3.671 0.001 13 0 "[ . 1 . 2]" 1
380 1 25 MET H 1 25 MET ME 5.150 . 5.150 4.712 4.573 4.814 . 0 0 "[ . 1 . 2]" 1
381 1 25 MET H 1 25 MET HG2 4.020 . 4.020 2.749 2.418 3.674 . 0 0 "[ . 1 . 2]" 1
382 1 25 MET H 1 25 MET QG 3.470 . 3.470 2.570 2.164 2.799 . 0 0 "[ . 1 . 2]" 1
383 1 25 MET H 1 25 MET HG3 4.020 . 4.020 3.757 2.180 4.029 0.009 9 0 "[ . 1 . 2]" 1
384 1 25 MET H 1 26 CYS H 3.210 . 3.210 2.265 2.104 2.419 . 0 0 "[ . 1 . 2]" 1
385 1 25 MET H 1 26 CYS HA 5.500 . 5.500 4.872 4.687 5.052 . 0 0 "[ . 1 . 2]" 1
386 1 25 MET H 1 26 CYS HB2 5.110 . 5.110 4.404 4.120 4.665 . 0 0 "[ . 1 . 2]" 1
387 1 25 MET H 1 27 THR H 4.650 . 4.650 4.180 3.958 4.447 . 0 0 "[ . 1 . 2]" 1
388 1 25 MET H 1 28 ASN HA 5.500 . 5.500 5.167 4.495 5.495 . 0 0 "[ . 1 . 2]" 1
389 1 25 MET HA 1 25 MET ME 4.270 . 4.270 2.973 2.647 3.901 . 0 0 "[ . 1 . 2]" 1
390 1 25 MET HA 1 25 MET HG2 3.910 . 3.910 3.136 2.874 4.107 0.197 18 0 "[ . 1 . 2]" 1
391 1 25 MET HA 1 25 MET QG 3.400 . 3.400 2.959 2.783 3.471 0.071 18 0 "[ . 1 . 2]" 1
392 1 25 MET HA 1 25 MET HG3 3.910 . 3.910 3.733 3.666 3.795 . 0 0 "[ . 1 . 2]" 1
393 1 25 MET HA 1 28 ASN H 4.110 . 4.110 3.821 3.253 4.156 0.046 17 0 "[ . 1 . 2]" 1
394 1 25 MET HA 1 28 ASN HA 4.220 . 4.220 3.563 2.926 4.055 . 0 0 "[ . 1 . 2]" 1
395 1 25 MET QB 1 26 CYS H 3.640 . 3.640 3.184 2.777 3.771 0.131 8 0 "[ . 1 . 2]" 1
396 1 25 MET HB2 1 26 CYS H 4.250 . 4.250 3.346 2.882 4.215 . 0 0 "[ . 1 . 2]" 1
397 1 25 MET HB3 1 26 CYS H 4.250 . 4.250 4.051 3.632 4.281 0.031 8 0 "[ . 1 . 2]" 1
398 1 25 MET ME 1 25 MET HG2 3.820 . 3.820 3.315 2.473 3.423 . 0 0 "[ . 1 . 2]" 1
399 1 25 MET ME 1 25 MET HG3 3.820 . 3.820 2.613 2.468 3.420 . 0 0 "[ . 1 . 2]" 1
400 1 25 MET QG 1 26 CYS H 4.790 . 4.790 4.215 3.067 4.448 . 0 0 "[ . 1 . 2]" 1
401 1 25 MET HG2 1 26 CYS H 5.500 . 5.500 4.570 4.344 4.741 . 0 0 "[ . 1 . 2]" 1
402 1 25 MET HG3 1 26 CYS H 5.500 . 5.500 5.183 3.114 5.534 0.034 7 0 "[ . 1 . 2]" 1
403 1 26 CYS H 1 26 CYS HB2 3.310 . 3.310 2.495 2.422 2.602 . 0 0 "[ . 1 . 2]" 1
404 1 26 CYS H 1 26 CYS HB3 3.700 . 3.700 3.640 3.571 3.732 0.032 17 0 "[ . 1 . 2]" 1
405 1 26 CYS H 1 27 THR H 3.180 . 3.180 2.369 2.203 2.555 . 0 0 "[ . 1 . 2]" 1
406 1 26 CYS H 1 27 THR HA 5.050 . 5.050 4.959 4.759 5.073 0.023 2 0 "[ . 1 . 2]" 1
407 1 26 CYS H 1 27 THR MG 4.510 . 4.510 4.348 4.001 4.958 0.448 9 0 "[ . 1 . 2]" 1
408 1 26 CYS HA 1 27 THR HA 4.710 . 4.710 4.598 4.480 4.716 0.006 14 0 "[ . 1 . 2]" 1
409 1 26 CYS HB2 1 27 THR H 3.720 . 3.720 2.512 2.268 2.841 . 0 0 "[ . 1 . 2]" 1
410 1 26 CYS HB2 1 27 THR HA 4.850 . 4.850 4.427 4.186 4.686 . 0 0 "[ . 1 . 2]" 1
411 1 26 CYS HB2 1 27 THR MG 3.730 . 3.730 3.067 2.577 3.536 . 0 0 "[ . 1 . 2]" 1
412 1 26 CYS HB2 1 28 ASN H 4.800 . 4.800 4.468 4.226 4.813 0.013 20 0 "[ . 1 . 2]" 1
413 1 26 CYS HB3 1 27 THR H 4.070 . 4.070 3.624 3.396 3.869 . 0 0 "[ . 1 . 2]" 1
414 1 26 CYS HB3 1 27 THR HA 4.810 . 4.810 4.544 4.353 4.756 . 0 0 "[ . 1 . 2]" 1
415 1 26 CYS HB3 1 27 THR MG 4.000 . 4.000 3.690 3.221 4.180 0.180 15 0 "[ . 1 . 2]" 1
416 1 27 THR H 1 27 THR MG 3.530 . 3.530 2.559 2.267 3.085 . 0 0 "[ . 1 . 2]" 1
417 1 27 THR H 1 28 ASN H 2.970 . 2.970 2.230 1.970 2.377 . 0 0 "[ . 1 . 2]" 1
418 1 27 THR H 1 28 ASN QB 5.270 . 5.270 4.939 4.515 5.254 . 0 0 "[ . 1 . 2]" 1
419 1 27 THR H 1 29 THR H 4.180 . 4.180 3.638 3.152 4.215 0.035 15 0 "[ . 1 . 2]" 1
420 1 27 THR HA 1 27 THR HB 2.530 . 2.530 2.525 2.493 2.579 0.049 9 0 "[ . 1 . 2]" 1
421 1 27 THR HA 1 27 THR MG 2.460 . 2.460 2.292 2.196 2.364 . 0 0 "[ . 1 . 2]" 1
422 1 27 THR HA 1 28 ASN H 3.470 . 3.470 3.341 3.120 3.477 0.007 14 0 "[ . 1 . 2]" 1
423 1 27 THR HA 1 28 ASN HA 5.400 . 5.400 5.182 5.043 5.303 . 0 0 "[ . 1 . 2]" 1
424 1 27 THR HA 1 28 ASN QB 4.950 . 4.950 4.228 3.948 4.493 . 0 0 "[ . 1 . 2]" 1
425 1 28 ASN H 1 28 ASN HA 2.730 . 2.730 2.222 2.153 2.251 . 0 0 "[ . 1 . 2]" 1
426 1 28 ASN H 1 28 ASN QB 3.560 . 3.560 3.205 2.934 3.469 . 0 0 "[ . 1 . 2]" 1
427 1 28 ASN H 1 29 THR H 3.410 . 3.410 2.558 2.324 2.755 . 0 0 "[ . 1 . 2]" 1
428 1 28 ASN HA 1 29 THR H 3.220 . 3.220 3.022 2.277 3.266 0.046 9 0 "[ . 1 . 2]" 1
429 1 28 ASN QB 1 29 THR MG 4.490 . 4.490 4.432 3.061 5.530 1.040 8 10 "[ ***-**+ 1* .* * 2]" 1
430 1 29 THR H 1 29 THR MG 3.600 . 3.600 3.456 2.634 3.942 0.342 6 0 "[ . 1 . 2]" 1
431 1 29 THR HA 1 29 THR MG 2.510 . 2.510 2.301 2.208 2.393 . 0 0 "[ . 1 . 2]" 1
432 1 29 THR HA 1 30 CYS H 3.120 . 3.120 2.177 2.070 2.261 . 0 0 "[ . 1 . 2]" 1
433 1 30 CYS H 1 30 CYS HB2 3.650 . 3.650 2.514 2.374 3.735 0.085 1 0 "[ . 1 . 2]" 1
434 1 30 CYS H 1 30 CYS QB 2.990 . 2.990 2.456 2.343 3.260 0.270 1 0 "[ . 1 . 2]" 1
435 1 30 CYS H 1 30 CYS HB3 3.650 . 3.650 3.631 3.593 3.714 0.064 13 0 "[ . 1 . 2]" 1
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