NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588335 |
2mpq   |
19998 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mpq
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 693
_Distance_constraint_stats_list.Viol_count 733
_Distance_constraint_stats_list.Viol_total 176.957
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0121
_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 2 ALA 0.003 0.001 19 0 "[ . 1 . 2]"
1 3 CYS 0.310 0.016 11 0 "[ . 1 . 2]"
1 4 LEU 0.634 0.021 19 0 "[ . 1 . 2]"
1 5 GLY 0.040 0.012 12 0 "[ . 1 . 2]"
1 6 PHE 0.166 0.016 18 0 "[ . 1 . 2]"
1 7 GLY 0.096 0.009 15 0 "[ . 1 . 2]"
1 8 LYS 0.785 0.020 16 0 "[ . 1 . 2]"
1 9 SER 0.335 0.019 14 0 "[ . 1 . 2]"
1 10 CYS 1.126 0.044 16 0 "[ . 1 . 2]"
1 11 ASN 0.290 0.017 10 0 "[ . 1 . 2]"
1 12 PRO 1.402 0.061 12 0 "[ . 1 . 2]"
1 13 SER 0.180 0.013 10 0 "[ . 1 . 2]"
1 14 ASN 0.181 0.017 10 0 "[ . 1 . 2]"
1 15 ASP 0.159 0.024 11 0 "[ . 1 . 2]"
1 16 GLN 0.097 0.007 11 0 "[ . 1 . 2]"
1 17 CYS 1.739 0.044 16 0 "[ . 1 . 2]"
1 18 CYS 0.984 0.050 7 0 "[ . 1 . 2]"
1 19 LYS 0.012 0.008 19 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.065 0.010 10 0 "[ . 1 . 2]"
1 22 SER 0.039 0.010 10 0 "[ . 1 . 2]"
1 23 LEU 1.213 0.046 18 0 "[ . 1 . 2]"
1 24 ALA 1.230 0.050 7 0 "[ . 1 . 2]"
1 25 CYS 1.199 0.061 12 0 "[ . 1 . 2]"
1 26 SER 0.702 0.045 20 0 "[ . 1 . 2]"
1 27 THR 0.165 0.012 10 0 "[ . 1 . 2]"
1 28 LYS 0.545 0.055 18 0 "[ . 1 . 2]"
1 29 HIS 0.293 0.016 20 0 "[ . 1 . 2]"
1 30 LYS 0.169 0.011 17 0 "[ . 1 . 2]"
1 31 TRP 0.407 0.019 14 0 "[ . 1 . 2]"
1 32 CYS 2.006 0.046 18 0 "[ . 1 . 2]"
1 33 LYS 0.415 0.014 11 0 "[ . 1 . 2]"
1 34 TYR 0.051 0.005 4 0 "[ . 1 . 2]"
1 35 GLU 0.158 0.012 4 0 "[ . 1 . 2]"
1 36 LEU 0.008 0.003 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 3 CYS H . . 3.900 3.887 3.859 3.901 0.001 19 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 CYS H . . 2.540 2.175 2.158 2.191 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 CYS H . . 3.480 3.446 3.392 3.481 0.001 1 0 "[ . 1 . 2]" 1
4 1 3 CYS H 1 3 CYS HB2 . . 4.060 3.922 3.842 3.960 . 0 0 "[ . 1 . 2]" 1
5 1 3 CYS H 1 3 CYS HB3 . . 3.600 3.494 3.383 3.579 . 0 0 "[ . 1 . 2]" 1
6 1 3 CYS H 1 4 LEU H . . 4.390 4.356 4.352 4.368 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 4 LEU HA . . 5.120 4.668 4.632 4.758 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 4 LEU HG . . 5.500 5.338 5.245 5.491 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS HA 1 4 LEU MD2 . . 4.930 4.249 4.186 4.274 . 0 0 "[ . 1 . 2]" 1
10 1 3 CYS HA 1 4 LEU HG . . 4.770 3.502 3.477 3.551 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS HA 1 16 GLN HB2 . . 5.500 5.503 5.498 5.507 0.007 11 0 "[ . 1 . 2]" 1
12 1 3 CYS HA 1 16 GLN HB3 . . 4.440 4.426 4.394 4.445 0.005 2 0 "[ . 1 . 2]" 1
13 1 3 CYS HB2 1 4 LEU H . . 2.920 1.948 1.945 1.952 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS HB2 1 4 LEU HG . . 5.500 4.516 4.508 4.539 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HB2 1 18 CYS H . . 4.250 3.241 3.230 3.253 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HB2 1 18 CYS HA . . 3.170 2.268 2.210 2.329 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS HB2 1 19 LYS H . . 5.210 4.086 4.024 4.153 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HB3 1 4 LEU H . . 3.540 3.452 3.431 3.460 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HB3 1 4 LEU HG . . 5.500 5.508 5.501 5.516 0.016 11 0 "[ . 1 . 2]" 1
20 1 3 CYS HB3 1 18 CYS H . . 4.870 4.871 4.861 4.877 0.007 19 0 "[ . 1 . 2]" 1
21 1 3 CYS HB3 1 18 CYS HA . . 3.550 2.934 2.894 2.969 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS HB3 1 19 LYS H . . 4.320 4.239 4.185 4.305 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU H 1 4 LEU HB2 . . 2.810 2.575 2.554 2.593 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU H 1 4 LEU HB3 . . 3.920 3.726 3.715 3.739 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU H 1 4 LEU MD1 . . 3.940 3.839 3.818 3.879 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU H 1 4 LEU MD2 . . 3.850 3.805 3.746 3.827 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU H 1 4 LEU HG . . 2.900 2.804 2.778 2.835 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU H 1 5 GLY H . . 4.350 4.299 4.263 4.350 0.000 10 0 "[ . 1 . 2]" 1
29 1 4 LEU H 1 8 LYS HG3 . . 5.500 5.343 5.288 5.382 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU H 1 16 GLN HB2 . . 5.500 5.467 5.390 5.504 0.004 4 0 "[ . 1 . 2]" 1
31 1 4 LEU H 1 16 GLN HB3 . . 5.140 5.015 4.959 5.062 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU H 1 17 CYS H . . 5.030 4.509 4.479 4.528 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU H 1 17 CYS HA . . 2.520 2.093 2.081 2.105 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU H 1 17 CYS HB3 . . 4.930 4.083 4.059 4.137 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU H 1 18 CYS H . . 3.570 3.143 3.100 3.212 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU H 1 18 CYS HA . . 4.120 3.823 3.755 3.905 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU H 1 18 CYS HB2 . . 4.850 4.655 4.587 4.761 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HA 1 4 LEU MD2 . . 3.110 2.315 2.263 2.330 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU HA 1 4 LEU HG . . 3.820 3.079 3.068 3.110 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU HA 1 5 GLY H . . 2.560 2.144 2.142 2.146 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU HA 1 5 GLY QA . . 4.310 3.909 3.901 3.913 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU HA 1 8 LYS HB2 . . 5.010 3.935 3.870 4.005 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU HA 1 18 CYS H . . 5.410 4.884 4.849 4.923 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU HB2 1 4 LEU MD1 . . 3.310 2.192 2.163 2.279 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU HB2 1 5 GLY H . . 4.720 4.281 4.229 4.308 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU HB2 1 8 LYS HB2 . . 4.120 3.402 3.358 3.455 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU HB2 1 10 CYS HB3 . . 5.020 3.471 3.392 3.519 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU HB2 1 17 CYS HA . . 3.110 1.995 1.992 2.001 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU HB2 1 18 CYS H . . 4.610 3.839 3.795 3.881 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU HB3 1 4 LEU MD1 . . 3.350 2.497 2.427 2.515 . 0 0 "[ . 1 . 2]" 1
51 1 4 LEU HB3 1 4 LEU MD2 . . 3.290 2.204 2.194 2.241 . 0 0 "[ . 1 . 2]" 1
52 1 4 LEU HB3 1 5 GLY H . . 3.560 3.487 3.385 3.530 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU HB3 1 8 LYS H . . 4.570 4.475 4.445 4.499 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU HB3 1 8 LYS HB2 . . 3.360 2.041 2.014 2.073 . 0 0 "[ . 1 . 2]" 1
55 1 4 LEU HB3 1 8 LYS HB3 . . 4.130 2.502 2.442 2.571 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU HB3 1 9 SER H . . 5.440 4.908 4.808 4.981 . 0 0 "[ . 1 . 2]" 1
57 1 4 LEU HB3 1 17 CYS HA . . 3.870 3.712 3.706 3.716 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU HB3 1 18 CYS H . . 5.320 5.003 4.969 5.034 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU MD1 1 10 CYS H . . 4.760 3.964 3.832 4.020 . 0 0 "[ . 1 . 2]" 1
60 1 4 LEU MD1 1 10 CYS HA . . 4.310 2.503 2.422 2.546 . 0 0 "[ . 1 . 2]" 1
61 1 4 LEU MD1 1 10 CYS HB2 . . 3.650 2.819 2.771 2.857 . 0 0 "[ . 1 . 2]" 1
62 1 4 LEU MD1 1 10 CYS HB3 . . 3.350 1.947 1.912 1.983 . 0 0 "[ . 1 . 2]" 1
63 1 4 LEU MD1 1 11 ASN H . . 4.350 3.790 3.732 3.842 . 0 0 "[ . 1 . 2]" 1
64 1 4 LEU MD1 1 16 GLN H . . 3.810 3.543 3.469 3.609 . 0 0 "[ . 1 . 2]" 1
65 1 4 LEU MD1 1 16 GLN HB2 . . 3.750 2.950 2.890 3.047 . 0 0 "[ . 1 . 2]" 1
66 1 4 LEU MD1 1 16 GLN HB3 . . 4.010 3.891 3.819 3.966 . 0 0 "[ . 1 . 2]" 1
67 1 4 LEU MD1 1 16 GLN HG3 . . 4.870 4.641 4.579 4.740 . 0 0 "[ . 1 . 2]" 1
68 1 4 LEU MD1 1 17 CYS H . . 4.720 4.584 4.553 4.681 . 0 0 "[ . 1 . 2]" 1
69 1 4 LEU MD1 1 17 CYS HA . . 4.650 3.220 3.170 3.345 . 0 0 "[ . 1 . 2]" 1
70 1 4 LEU MD1 1 32 CYS H . . 5.430 4.955 4.908 4.985 . 0 0 "[ . 1 . 2]" 1
71 1 4 LEU MD2 1 5 GLY H . . 3.960 3.810 3.757 3.840 . 0 0 "[ . 1 . 2]" 1
72 1 4 LEU MD2 1 8 LYS H . . 5.500 5.510 5.505 5.517 0.017 19 0 "[ . 1 . 2]" 1
73 1 4 LEU MD2 1 8 LYS HB2 . . 3.910 3.358 3.338 3.371 . 0 0 "[ . 1 . 2]" 1
74 1 4 LEU MD2 1 8 LYS HB3 . . 3.510 2.486 2.464 2.514 . 0 0 "[ . 1 . 2]" 1
75 1 4 LEU MD2 1 8 LYS HD2 . . 5.160 3.921 3.300 4.584 . 0 0 "[ . 1 . 2]" 1
76 1 4 LEU MD2 1 8 LYS QD . . 4.450 3.636 3.216 4.103 . 0 0 "[ . 1 . 2]" 1
77 1 4 LEU MD2 1 8 LYS HD3 . . 5.160 4.517 3.440 4.803 . 0 0 "[ . 1 . 2]" 1
78 1 4 LEU MD2 1 8 LYS QE . . 5.290 3.468 2.190 4.941 . 0 0 "[ . 1 . 2]" 1
79 1 4 LEU MD2 1 8 LYS HG3 . . 4.560 3.182 3.136 3.218 . 0 0 "[ . 1 . 2]" 1
80 1 4 LEU MD2 1 9 SER H . . 4.790 4.275 4.156 4.342 . 0 0 "[ . 1 . 2]" 1
81 1 4 LEU MD2 1 17 CYS HA . . 5.420 4.550 4.541 4.563 . 0 0 "[ . 1 . 2]" 1
82 1 4 LEU HG 1 16 GLN HB3 . . 4.430 4.244 4.189 4.287 . 0 0 "[ . 1 . 2]" 1
83 1 4 LEU HG 1 17 CYS H . . 5.500 5.513 5.507 5.521 0.021 19 0 "[ . 1 . 2]" 1
84 1 4 LEU HG 1 17 CYS HA . . 5.100 3.442 3.417 3.477 . 0 0 "[ . 1 . 2]" 1
85 1 5 GLY H 1 5 GLY QA . . 2.550 2.207 2.203 2.215 . 0 0 "[ . 1 . 2]" 1
86 1 5 GLY H 1 6 PHE H . . 4.750 4.544 4.538 4.552 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLY H 1 8 LYS HB2 . . 4.250 3.946 3.879 4.013 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLY H 1 8 LYS HB3 . . 5.110 4.384 4.316 4.463 . 0 0 "[ . 1 . 2]" 1
89 1 5 GLY H 1 8 LYS QD . . 4.040 3.840 3.415 4.052 0.012 12 0 "[ . 1 . 2]" 1
90 1 5 GLY H 1 8 LYS HG2 . . 3.770 3.338 3.241 3.405 . 0 0 "[ . 1 . 2]" 1
91 1 5 GLY H 1 8 LYS HG3 . . 3.320 2.106 2.032 2.170 . 0 0 "[ . 1 . 2]" 1
92 1 5 GLY H 1 18 CYS H . . 5.410 4.944 4.899 5.009 . 0 0 "[ . 1 . 2]" 1
93 1 5 GLY H 1 23 LEU MD1 . . 4.330 4.140 4.115 4.171 . 0 0 "[ . 1 . 2]" 1
94 1 5 GLY QA 1 6 PHE HA . . 4.780 3.953 3.952 3.954 . 0 0 "[ . 1 . 2]" 1
95 1 5 GLY QA 1 6 PHE QB . . 4.740 3.895 3.895 3.896 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLY QA 1 8 LYS QE . . 5.180 4.083 3.270 4.800 . 0 0 "[ . 1 . 2]" 1
97 1 5 GLY QA 1 8 LYS HG3 . . 4.620 3.294 3.270 3.333 . 0 0 "[ . 1 . 2]" 1
98 1 5 GLY QA 1 18 CYS H . . 4.880 3.603 3.556 3.652 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLY QA 1 18 CYS HB2 . . 4.230 2.777 2.697 2.854 . 0 0 "[ . 1 . 2]" 1
100 1 5 GLY QA 1 23 LEU MD1 . . 3.000 2.101 2.064 2.123 . 0 0 "[ . 1 . 2]" 1
101 1 5 GLY QA 1 23 LEU MD2 . . 5.160 4.173 4.088 4.208 . 0 0 "[ . 1 . 2]" 1
102 1 5 GLY HA2 1 6 PHE H . . 2.820 2.585 2.575 2.596 . 0 0 "[ . 1 . 2]" 1
103 1 5 GLY HA2 1 23 LEU MD1 . . 3.640 2.125 2.087 2.148 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLY HA3 1 6 PHE H . . 2.820 2.540 2.529 2.548 . 0 0 "[ . 1 . 2]" 1
105 1 5 GLY HA3 1 23 LEU MD1 . . 3.640 3.303 3.275 3.318 . 0 0 "[ . 1 . 2]" 1
106 1 6 PHE H 1 6 PHE HB2 . . 2.750 2.573 2.551 2.600 . 0 0 "[ . 1 . 2]" 1
107 1 6 PHE H 1 6 PHE HB3 . . 2.750 2.501 2.474 2.522 . 0 0 "[ . 1 . 2]" 1
108 1 6 PHE H 1 6 PHE QD . . 4.200 4.188 4.184 4.189 . 0 0 "[ . 1 . 2]" 1
109 1 6 PHE H 1 8 LYS H . . 5.320 5.051 5.013 5.082 . 0 0 "[ . 1 . 2]" 1
110 1 6 PHE H 1 8 LYS HG2 . . 4.510 4.331 4.276 4.401 . 0 0 "[ . 1 . 2]" 1
111 1 6 PHE H 1 23 LEU HB3 . . 5.500 5.507 5.501 5.516 0.016 18 0 "[ . 1 . 2]" 1
112 1 6 PHE H 1 23 LEU MD1 . . 2.960 2.312 2.302 2.328 . 0 0 "[ . 1 . 2]" 1
113 1 6 PHE H 1 23 LEU MD2 . . 3.710 3.451 3.329 3.492 . 0 0 "[ . 1 . 2]" 1
114 1 6 PHE H 1 32 CYS HB2 . . 5.060 4.635 4.607 4.669 . 0 0 "[ . 1 . 2]" 1
115 1 6 PHE HA 1 6 PHE QD . . 3.530 2.780 2.691 3.035 . 0 0 "[ . 1 . 2]" 1
116 1 6 PHE HA 1 7 GLY H . . 2.610 2.175 2.167 2.180 . 0 0 "[ . 1 . 2]" 1
117 1 6 PHE HA 1 8 LYS H . . 4.350 3.390 3.377 3.408 . 0 0 "[ . 1 . 2]" 1
118 1 6 PHE HA 1 23 LEU MD1 . . 3.600 2.341 2.314 2.396 . 0 0 "[ . 1 . 2]" 1
119 1 6 PHE HA 1 23 LEU MD2 . . 3.550 2.612 2.369 2.683 . 0 0 "[ . 1 . 2]" 1
120 1 6 PHE HA 1 32 CYS H . . 4.650 4.645 4.623 4.658 0.008 16 0 "[ . 1 . 2]" 1
121 1 6 PHE HA 1 32 CYS HB2 . . 3.710 2.357 2.319 2.404 . 0 0 "[ . 1 . 2]" 1
122 1 6 PHE HA 1 32 CYS HB3 . . 3.960 2.981 2.944 3.013 . 0 0 "[ . 1 . 2]" 1
123 1 6 PHE QB 1 7 GLY H . . 4.120 3.693 3.679 3.712 . 0 0 "[ . 1 . 2]" 1
124 1 6 PHE QB 1 23 LEU MD1 . . 3.720 2.727 2.696 2.773 . 0 0 "[ . 1 . 2]" 1
125 1 6 PHE QB 1 23 LEU MD2 . . 3.440 1.953 1.946 1.964 . 0 0 "[ . 1 . 2]" 1
126 1 6 PHE QB 1 34 TYR QE . . 3.670 3.340 3.208 3.430 . 0 0 "[ . 1 . 2]" 1
127 1 6 PHE HB2 1 23 LEU MD1 . . 4.290 2.798 2.763 2.849 . 0 0 "[ . 1 . 2]" 1
128 1 6 PHE HB2 1 23 LEU MD2 . . 4.050 1.962 1.956 1.974 . 0 0 "[ . 1 . 2]" 1
129 1 6 PHE HB2 1 34 TYR QE . . 4.520 3.523 3.387 3.642 . 0 0 "[ . 1 . 2]" 1
130 1 6 PHE HB3 1 23 LEU MD1 . . 4.290 3.766 3.744 3.809 . 0 0 "[ . 1 . 2]" 1
131 1 6 PHE HB3 1 23 LEU MD2 . . 4.050 3.531 3.492 3.549 . 0 0 "[ . 1 . 2]" 1
132 1 6 PHE HB3 1 34 TYR QE . . 4.520 4.157 3.784 4.337 . 0 0 "[ . 1 . 2]" 1
133 1 6 PHE QD 1 7 GLY H . . 3.650 3.447 3.403 3.485 . 0 0 "[ . 1 . 2]" 1
134 1 6 PHE QD 1 7 GLY HA2 . . 4.560 4.351 3.986 4.439 . 0 0 "[ . 1 . 2]" 1
135 1 6 PHE QD 1 7 GLY HA3 . . 4.200 3.694 3.220 3.819 . 0 0 "[ . 1 . 2]" 1
136 1 6 PHE QD 1 8 LYS H . . 5.500 5.173 5.093 5.202 . 0 0 "[ . 1 . 2]" 1
137 1 6 PHE QD 1 23 LEU MD1 . . 4.420 3.671 3.598 3.778 . 0 0 "[ . 1 . 2]" 1
138 1 6 PHE QD 1 23 LEU MD2 . . 3.270 2.069 2.003 2.147 . 0 0 "[ . 1 . 2]" 1
139 1 6 PHE QD 1 33 LYS HA . . 3.850 2.952 2.819 3.235 . 0 0 "[ . 1 . 2]" 1
140 1 6 PHE QD 1 33 LYS HB2 . . 5.500 5.189 5.077 5.344 . 0 0 "[ . 1 . 2]" 1
141 1 6 PHE QD 1 34 TYR H . . 4.050 3.017 2.864 3.129 . 0 0 "[ . 1 . 2]" 1
142 1 6 PHE QD 1 34 TYR QD . . 4.430 3.706 3.486 3.802 . 0 0 "[ . 1 . 2]" 1
143 1 6 PHE QE 1 23 LEU MD2 . . 5.010 3.860 3.790 3.953 . 0 0 "[ . 1 . 2]" 1
144 1 6 PHE QE 1 33 LYS HA . . 4.340 2.122 2.061 2.520 . 0 0 "[ . 1 . 2]" 1
145 1 6 PHE QE 1 34 TYR H . . 3.550 1.962 1.947 2.016 . 0 0 "[ . 1 . 2]" 1
146 1 6 PHE HZ 1 33 LYS HB2 . . 5.500 5.470 5.428 5.501 0.001 3 0 "[ . 1 . 2]" 1
147 1 6 PHE HZ 1 33 LYS HB3 . . 5.500 5.466 5.429 5.499 . 0 0 "[ . 1 . 2]" 1
148 1 7 GLY H 1 7 GLY HA2 . . 2.770 2.343 2.337 2.351 . 0 0 "[ . 1 . 2]" 1
149 1 7 GLY H 1 8 LYS H . . 3.210 2.330 2.297 2.358 . 0 0 "[ . 1 . 2]" 1
150 1 7 GLY H 1 8 LYS HB2 . . 4.650 4.631 4.601 4.649 . 0 0 "[ . 1 . 2]" 1
151 1 7 GLY H 1 8 LYS HG2 . . 4.840 4.276 4.235 4.310 . 0 0 "[ . 1 . 2]" 1
152 1 7 GLY H 1 23 LEU MD1 . . 4.290 4.184 4.152 4.234 . 0 0 "[ . 1 . 2]" 1
153 1 7 GLY H 1 23 LEU MD2 . . 4.310 4.141 4.061 4.176 . 0 0 "[ . 1 . 2]" 1
154 1 7 GLY H 1 32 CYS H . . 4.190 3.728 3.696 3.779 . 0 0 "[ . 1 . 2]" 1
155 1 7 GLY H 1 32 CYS HB2 . . 3.230 2.591 2.564 2.620 . 0 0 "[ . 1 . 2]" 1
156 1 7 GLY H 1 32 CYS HB3 . . 4.040 4.039 4.020 4.049 0.009 15 0 "[ . 1 . 2]" 1
157 1 7 GLY H 1 33 LYS HA . . 4.570 4.569 4.537 4.579 0.009 15 0 "[ . 1 . 2]" 1
158 1 7 GLY HA2 1 31 TRP HE3 . . 4.300 1.994 1.992 1.997 . 0 0 "[ . 1 . 2]" 1
159 1 7 GLY HA2 1 32 CYS H . . 4.840 4.707 4.658 4.801 . 0 0 "[ . 1 . 2]" 1
160 1 7 GLY HA3 1 8 LYS H . . 3.500 3.415 3.405 3.417 . 0 0 "[ . 1 . 2]" 1
161 1 8 LYS H 1 8 LYS HB2 . . 2.760 2.505 2.492 2.519 . 0 0 "[ . 1 . 2]" 1
162 1 8 LYS H 1 8 LYS HB3 . . 3.720 3.676 3.667 3.683 . 0 0 "[ . 1 . 2]" 1
163 1 8 LYS H 1 8 LYS QD . . 4.620 3.889 3.778 4.310 . 0 0 "[ . 1 . 2]" 1
164 1 8 LYS H 1 8 LYS QE . . 5.150 4.781 3.343 5.158 0.008 7 0 "[ . 1 . 2]" 1
165 1 8 LYS H 1 8 LYS HG2 . . 2.890 2.634 2.616 2.647 . 0 0 "[ . 1 . 2]" 1
166 1 8 LYS H 1 8 LYS HG3 . . 3.910 3.894 3.861 3.915 0.005 18 0 "[ . 1 . 2]" 1
167 1 8 LYS H 1 9 SER H . . 4.650 4.552 4.549 4.561 . 0 0 "[ . 1 . 2]" 1
168 1 8 LYS H 1 23 LEU MD1 . . 4.630 4.540 4.512 4.577 . 0 0 "[ . 1 . 2]" 1
169 1 8 LYS H 1 31 TRP HB2 . . 5.500 4.014 3.989 4.041 . 0 0 "[ . 1 . 2]" 1
170 1 8 LYS H 1 32 CYS H . . 3.640 3.182 3.157 3.205 . 0 0 "[ . 1 . 2]" 1
171 1 8 LYS H 1 32 CYS HB2 . . 3.240 2.573 2.555 2.587 . 0 0 "[ . 1 . 2]" 1
172 1 8 LYS H 1 32 CYS HB3 . . 4.340 4.288 4.267 4.304 . 0 0 "[ . 1 . 2]" 1
173 1 8 LYS HA 1 8 LYS QD . . 3.090 2.107 1.981 2.554 . 0 0 "[ . 1 . 2]" 1
174 1 8 LYS HA 1 8 LYS QE . . 5.340 3.603 1.972 4.286 . 0 0 "[ . 1 . 2]" 1
175 1 8 LYS HA 1 8 LYS HG2 . . 3.850 3.011 2.975 3.031 . 0 0 "[ . 1 . 2]" 1
176 1 8 LYS HA 1 8 LYS HG3 . . 3.970 3.776 3.767 3.788 . 0 0 "[ . 1 . 2]" 1
177 1 8 LYS HA 1 9 SER H . . 2.470 2.290 2.268 2.336 . 0 0 "[ . 1 . 2]" 1
178 1 8 LYS HB2 1 9 SER H . . 3.880 3.831 3.739 3.883 0.003 5 0 "[ . 1 . 2]" 1
179 1 8 LYS HB2 1 10 CYS H . . 5.500 5.151 5.126 5.169 . 0 0 "[ . 1 . 2]" 1
180 1 8 LYS HB2 1 32 CYS H . . 4.050 3.931 3.914 3.941 . 0 0 "[ . 1 . 2]" 1
181 1 8 LYS HB2 1 32 CYS HB2 . . 4.570 3.450 3.410 3.472 . 0 0 "[ . 1 . 2]" 1
182 1 8 LYS HB2 1 32 CYS HB3 . . 5.210 4.583 4.565 4.608 . 0 0 "[ . 1 . 2]" 1
183 1 8 LYS HB3 1 9 SER H . . 3.130 2.720 2.594 2.785 . 0 0 "[ . 1 . 2]" 1
184 1 8 LYS HB3 1 32 CYS H . . 5.210 5.221 5.212 5.230 0.020 16 0 "[ . 1 . 2]" 1
185 1 8 LYS QD 1 9 SER H . . 3.700 3.480 3.313 3.687 . 0 0 "[ . 1 . 2]" 1
186 1 8 LYS QE 1 8 LYS HG2 . . 3.360 2.851 2.025 3.357 . 0 0 "[ . 1 . 2]" 1
187 1 8 LYS QE 1 9 SER H . . 5.340 4.596 3.225 5.350 0.010 7 0 "[ . 1 . 2]" 1
188 1 8 LYS HG2 1 9 SER H . . 4.960 4.907 4.874 4.937 . 0 0 "[ . 1 . 2]" 1
189 1 8 LYS HG2 1 32 CYS H . . 5.500 5.512 5.508 5.520 0.020 15 0 "[ . 1 . 2]" 1
190 1 8 LYS HG3 1 9 SER H . . 5.120 5.027 4.921 5.084 . 0 0 "[ . 1 . 2]" 1
191 1 9 SER H 1 9 SER HB2 . . 3.660 2.864 2.250 3.605 . 0 0 "[ . 1 . 2]" 1
192 1 9 SER H 1 9 SER QB . . 2.930 2.526 2.226 2.842 . 0 0 "[ . 1 . 2]" 1
193 1 9 SER H 1 9 SER HB3 . . 3.660 3.311 2.778 3.624 . 0 0 "[ . 1 . 2]" 1
194 1 9 SER H 1 31 TRP HA . . 5.500 5.512 5.503 5.519 0.019 14 0 "[ . 1 . 2]" 1
195 1 9 SER H 1 31 TRP HB2 . . 5.500 5.498 5.465 5.512 0.012 10 0 "[ . 1 . 2]" 1
196 1 9 SER QB 1 10 CYS H . . 3.680 3.550 3.530 3.588 . 0 0 "[ . 1 . 2]" 1
197 1 9 SER QB 1 10 CYS HA . . 4.500 4.320 4.239 4.487 . 0 0 "[ . 1 . 2]" 1
198 1 9 SER QB 1 31 TRP HA . . 5.340 5.150 5.005 5.302 . 0 0 "[ . 1 . 2]" 1
199 1 9 SER HB2 1 10 CYS H . . 4.530 4.171 3.733 4.526 . 0 0 "[ . 1 . 2]" 1
200 1 9 SER HB3 1 10 CYS H . . 4.530 3.978 3.726 4.384 . 0 0 "[ . 1 . 2]" 1
201 1 10 CYS H 1 10 CYS HB2 . . 3.970 3.723 3.722 3.726 . 0 0 "[ . 1 . 2]" 1
202 1 10 CYS H 1 10 CYS HB3 . . 3.780 3.115 3.109 3.119 . 0 0 "[ . 1 . 2]" 1
203 1 10 CYS H 1 11 ASN H . . 4.560 4.461 4.460 4.461 . 0 0 "[ . 1 . 2]" 1
204 1 10 CYS H 1 31 TRP HA . . 3.260 2.489 2.452 2.503 . 0 0 "[ . 1 . 2]" 1
205 1 10 CYS H 1 31 TRP HB3 . . 4.660 4.405 4.387 4.427 . 0 0 "[ . 1 . 2]" 1
206 1 10 CYS HA 1 11 ASN H . . 3.020 2.549 2.548 2.550 . 0 0 "[ . 1 . 2]" 1
207 1 10 CYS HA 1 16 GLN H . . 4.880 4.762 4.716 4.794 . 0 0 "[ . 1 . 2]" 1
208 1 10 CYS HB2 1 11 ASN H . . 2.870 2.128 2.126 2.130 . 0 0 "[ . 1 . 2]" 1
209 1 10 CYS HB2 1 16 GLN H . . 3.690 2.697 2.668 2.715 . 0 0 "[ . 1 . 2]" 1
210 1 10 CYS HB2 1 25 CYS HB3 . . 4.560 4.105 4.084 4.145 . 0 0 "[ . 1 . 2]" 1
211 1 10 CYS HB3 1 11 ASN H . . 4.060 3.560 3.556 3.565 . 0 0 "[ . 1 . 2]" 1
212 1 10 CYS HB3 1 16 GLN H . . 4.550 3.825 3.790 3.852 . 0 0 "[ . 1 . 2]" 1
213 1 10 CYS HB3 1 17 CYS H . . 5.500 5.537 5.526 5.544 0.044 16 0 "[ . 1 . 2]" 1
214 1 10 CYS HB3 1 17 CYS HB2 . . 5.500 5.519 5.513 5.529 0.029 10 0 "[ . 1 . 2]" 1
215 1 10 CYS HB3 1 31 TRP HA . . 5.180 4.310 4.294 4.329 . 0 0 "[ . 1 . 2]" 1
216 1 10 CYS HB3 1 32 CYS H . . 4.690 4.194 4.170 4.283 . 0 0 "[ . 1 . 2]" 1
217 1 11 ASN H 1 11 ASN HB2 . . 3.240 2.697 2.609 2.800 . 0 0 "[ . 1 . 2]" 1
218 1 11 ASN H 1 11 ASN HB3 . . 3.180 2.788 2.709 2.864 . 0 0 "[ . 1 . 2]" 1
219 1 11 ASN H 1 11 ASN HD21 . . 5.360 4.837 4.696 4.949 . 0 0 "[ . 1 . 2]" 1
220 1 11 ASN H 1 12 PRO HD2 . . 5.050 4.841 4.839 4.842 . 0 0 "[ . 1 . 2]" 1
221 1 11 ASN H 1 12 PRO HD3 . . 5.130 4.852 4.844 4.864 . 0 0 "[ . 1 . 2]" 1
222 1 11 ASN H 1 14 ASN H . . 4.710 4.629 4.607 4.647 . 0 0 "[ . 1 . 2]" 1
223 1 11 ASN H 1 15 ASP HA . . 4.110 3.720 3.625 3.834 . 0 0 "[ . 1 . 2]" 1
224 1 11 ASN H 1 16 GLN H . . 4.220 3.538 3.502 3.586 . 0 0 "[ . 1 . 2]" 1
225 1 11 ASN H 1 16 GLN HB2 . . 4.850 4.369 4.272 4.415 . 0 0 "[ . 1 . 2]" 1
226 1 11 ASN HA 1 12 PRO HD2 . . 3.050 2.166 2.163 2.173 . 0 0 "[ . 1 . 2]" 1
227 1 11 ASN HA 1 12 PRO HD3 . . 2.860 2.252 2.252 2.253 . 0 0 "[ . 1 . 2]" 1
228 1 11 ASN HA 1 12 PRO HG2 . . 4.620 4.325 4.323 4.331 . 0 0 "[ . 1 . 2]" 1
229 1 11 ASN HA 1 12 PRO HG3 . . 4.510 4.354 4.353 4.357 . 0 0 "[ . 1 . 2]" 1
230 1 11 ASN HA 1 13 SER H . . 4.530 4.152 4.149 4.158 . 0 0 "[ . 1 . 2]" 1
231 1 11 ASN HA 1 14 ASN H . . 4.720 4.479 4.435 4.540 . 0 0 "[ . 1 . 2]" 1
232 1 11 ASN HA 1 30 LYS HG2 . . 5.090 4.633 4.610 4.667 . 0 0 "[ . 1 . 2]" 1
233 1 11 ASN HB2 1 11 ASN HD21 . . 3.520 3.292 3.216 3.364 . 0 0 "[ . 1 . 2]" 1
234 1 11 ASN HB2 1 11 ASN HD22 . . 4.010 3.961 3.922 3.998 . 0 0 "[ . 1 . 2]" 1
235 1 11 ASN HB2 1 12 PRO HD2 . . 5.260 3.871 3.797 3.928 . 0 0 "[ . 1 . 2]" 1
236 1 11 ASN HB2 1 12 PRO HD3 . . 5.040 4.741 4.681 4.789 . 0 0 "[ . 1 . 2]" 1
237 1 11 ASN HB2 1 13 SER H . . 4.990 4.992 4.965 5.003 0.013 10 0 "[ . 1 . 2]" 1
238 1 11 ASN HB2 1 14 ASN H . . 4.490 4.300 4.163 4.457 . 0 0 "[ . 1 . 2]" 1
239 1 11 ASN HB3 1 13 SER H . . 4.300 3.894 3.765 4.024 . 0 0 "[ . 1 . 2]" 1
240 1 11 ASN HB3 1 14 ASN H . . 3.380 2.607 2.428 2.820 . 0 0 "[ . 1 . 2]" 1
241 1 11 ASN HB3 1 14 ASN HB2 . . 4.880 3.760 3.545 4.020 . 0 0 "[ . 1 . 2]" 1
242 1 11 ASN HB3 1 14 ASN HB3 . . 4.630 2.858 2.717 3.036 . 0 0 "[ . 1 . 2]" 1
243 1 11 ASN HD21 1 13 SER HB2 . . 4.980 3.423 3.043 3.591 . 0 0 "[ . 1 . 2]" 1
244 1 11 ASN HD21 1 14 ASN HB2 . . 4.200 2.969 2.862 3.099 . 0 0 "[ . 1 . 2]" 1
245 1 11 ASN HD21 1 14 ASN HB3 . . 4.340 3.200 3.183 3.252 . 0 0 "[ . 1 . 2]" 1
246 1 11 ASN HD22 1 13 SER HB2 . . 4.450 2.781 2.117 3.164 . 0 0 "[ . 1 . 2]" 1
247 1 11 ASN HD22 1 13 SER HB3 . . 5.150 2.366 2.045 2.777 . 0 0 "[ . 1 . 2]" 1
248 1 11 ASN HD22 1 14 ASN H . . 4.920 3.542 3.323 3.796 . 0 0 "[ . 1 . 2]" 1
249 1 11 ASN HD22 1 14 ASN HB2 . . 4.330 4.339 4.331 4.347 0.017 10 0 "[ . 1 . 2]" 1
250 1 11 ASN HD22 1 14 ASN HB3 . . 5.500 4.821 4.765 4.915 . 0 0 "[ . 1 . 2]" 1
251 1 12 PRO HA 1 13 SER HA . . 4.790 4.764 4.745 4.787 . 0 0 "[ . 1 . 2]" 1
252 1 12 PRO HA 1 14 ASN H . . 4.960 4.032 3.927 4.121 . 0 0 "[ . 1 . 2]" 1
253 1 12 PRO HA 1 15 ASP H . . 4.430 4.307 4.189 4.439 0.009 4 0 "[ . 1 . 2]" 1
254 1 12 PRO HA 1 15 ASP HA . . 4.740 4.180 4.114 4.234 . 0 0 "[ . 1 . 2]" 1
255 1 12 PRO HA 1 15 ASP QB . . 3.910 3.730 3.638 3.906 . 0 0 "[ . 1 . 2]" 1
256 1 12 PRO HA 1 25 CYS H . . 5.500 5.554 5.542 5.561 0.061 12 0 "[ . 1 . 2]" 1
257 1 12 PRO HA 1 25 CYS HB2 . . 4.570 4.522 4.494 4.539 . 0 0 "[ . 1 . 2]" 1
258 1 12 PRO HA 1 25 CYS HB3 . . 3.260 2.941 2.917 2.956 . 0 0 "[ . 1 . 2]" 1
259 1 12 PRO HA 1 27 THR MG . . 4.930 4.338 4.049 4.504 . 0 0 "[ . 1 . 2]" 1
260 1 12 PRO HB2 1 13 SER H . . 3.590 3.112 3.109 3.117 . 0 0 "[ . 1 . 2]" 1
261 1 12 PRO HB2 1 27 THR MG . . 4.400 2.346 2.015 2.585 . 0 0 "[ . 1 . 2]" 1
262 1 12 PRO HB3 1 25 CYS HB3 . . 4.940 4.881 4.829 4.914 . 0 0 "[ . 1 . 2]" 1
263 1 12 PRO HB3 1 27 THR MG . . 3.920 2.553 2.355 2.781 . 0 0 "[ . 1 . 2]" 1
264 1 12 PRO HB3 1 30 LYS HG3 . . 5.440 4.366 4.281 4.519 . 0 0 "[ . 1 . 2]" 1
265 1 12 PRO HD2 1 13 SER H . . 4.190 2.675 2.673 2.676 . 0 0 "[ . 1 . 2]" 1
266 1 12 PRO HD2 1 27 THR MG . . 5.300 4.910 4.706 5.049 . 0 0 "[ . 1 . 2]" 1
267 1 12 PRO HD2 1 30 LYS HB3 . . 5.500 5.504 5.476 5.510 0.010 15 0 "[ . 1 . 2]" 1
268 1 12 PRO HD2 1 30 LYS HD2 . . 5.500 4.078 3.922 4.350 . 0 0 "[ . 1 . 2]" 1
269 1 12 PRO HD2 1 30 LYS HG2 . . 4.250 4.248 4.229 4.261 0.011 17 0 "[ . 1 . 2]" 1
270 1 12 PRO HD3 1 13 SER H . . 4.650 3.842 3.841 3.844 . 0 0 "[ . 1 . 2]" 1
271 1 12 PRO HD3 1 27 THR MG . . 4.960 4.423 4.208 4.562 . 0 0 "[ . 1 . 2]" 1
272 1 12 PRO HD3 1 30 LYS HB3 . . 4.690 3.936 3.915 3.970 . 0 0 "[ . 1 . 2]" 1
273 1 12 PRO HD3 1 30 LYS HD2 . . 4.600 2.965 2.806 3.207 . 0 0 "[ . 1 . 2]" 1
274 1 12 PRO HD3 1 30 LYS HG2 . . 3.630 2.623 2.602 2.647 . 0 0 "[ . 1 . 2]" 1
275 1 12 PRO HG2 1 27 THR MG . . 4.410 3.348 3.170 3.488 . 0 0 "[ . 1 . 2]" 1
276 1 12 PRO HG2 1 30 LYS HD2 . . 5.430 5.156 4.997 5.433 0.003 3 0 "[ . 1 . 2]" 1
277 1 12 PRO HG2 1 30 LYS HG2 . . 4.740 4.476 4.457 4.530 . 0 0 "[ . 1 . 2]" 1
278 1 12 PRO HG3 1 13 SER H . . 3.910 3.693 3.690 3.696 . 0 0 "[ . 1 . 2]" 1
279 1 12 PRO HG3 1 27 THR HA . . 3.390 3.395 3.352 3.402 0.012 10 0 "[ . 1 . 2]" 1
280 1 12 PRO HG3 1 27 THR MG . . 4.100 2.649 2.481 2.860 . 0 0 "[ . 1 . 2]" 1
281 1 12 PRO HG3 1 30 LYS HD2 . . 5.500 3.819 3.658 4.088 . 0 0 "[ . 1 . 2]" 1
282 1 12 PRO HG3 1 30 LYS HG2 . . 4.140 2.848 2.825 2.896 . 0 0 "[ . 1 . 2]" 1
283 1 12 PRO HG3 1 30 LYS HG3 . . 5.500 3.878 3.809 3.925 . 0 0 "[ . 1 . 2]" 1
284 1 13 SER H 1 13 SER HB2 . . 2.950 2.303 2.133 2.384 . 0 0 "[ . 1 . 2]" 1
285 1 13 SER H 1 13 SER HB3 . . 3.250 2.817 2.718 3.068 . 0 0 "[ . 1 . 2]" 1
286 1 13 SER H 1 14 ASN H . . 2.730 2.565 2.525 2.612 . 0 0 "[ . 1 . 2]" 1
287 1 13 SER H 1 14 ASN HB2 . . 5.400 4.964 4.868 5.051 . 0 0 "[ . 1 . 2]" 1
288 1 13 SER H 1 14 ASN HB3 . . 5.500 5.365 5.304 5.406 . 0 0 "[ . 1 . 2]" 1
289 1 13 SER H 1 15 ASP H . . 5.110 5.069 4.964 5.121 0.011 11 0 "[ . 1 . 2]" 1
290 1 13 SER HA 1 14 ASN H . . 3.560 3.449 3.436 3.458 . 0 0 "[ . 1 . 2]" 1
291 1 13 SER HA 1 15 ASP H . . 5.240 4.748 4.631 4.854 . 0 0 "[ . 1 . 2]" 1
292 1 13 SER HB2 1 14 ASN H . . 4.060 3.885 3.656 3.959 . 0 0 "[ . 1 . 2]" 1
293 1 13 SER HB2 1 14 ASN HB2 . . 5.500 5.074 4.860 5.142 . 0 0 "[ . 1 . 2]" 1
294 1 13 SER HB3 1 14 ASN H . . 3.950 3.063 3.021 3.188 . 0 0 "[ . 1 . 2]" 1
295 1 13 SER HB3 1 14 ASN HA . . 4.650 4.609 4.503 4.652 0.002 9 0 "[ . 1 . 2]" 1
296 1 14 ASN H 1 14 ASN HB2 . . 3.260 2.979 2.900 3.059 . 0 0 "[ . 1 . 2]" 1
297 1 14 ASN H 1 14 ASN HB3 . . 3.550 3.052 3.040 3.077 . 0 0 "[ . 1 . 2]" 1
298 1 14 ASN H 1 15 ASP H . . 3.360 3.141 3.102 3.185 . 0 0 "[ . 1 . 2]" 1
299 1 14 ASN H 1 15 ASP HA . . 4.360 4.219 4.172 4.244 . 0 0 "[ . 1 . 2]" 1
300 1 14 ASN H 1 15 ASP QB . . 4.970 4.758 4.703 4.799 . 0 0 "[ . 1 . 2]" 1
301 1 14 ASN HA 1 15 ASP H . . 2.710 2.480 2.459 2.517 . 0 0 "[ . 1 . 2]" 1
302 1 14 ASN HB2 1 14 ASN QD . . 3.430 2.612 2.104 3.349 . 0 0 "[ . 1 . 2]" 1
303 1 14 ASN HB2 1 15 ASP H . . 4.720 4.659 4.651 4.663 . 0 0 "[ . 1 . 2]" 1
304 1 14 ASN HB3 1 14 ASN QD . . 3.420 2.647 2.100 3.350 . 0 0 "[ . 1 . 2]" 1
305 1 14 ASN HB3 1 15 ASP HA . . 5.100 4.946 4.907 4.969 . 0 0 "[ . 1 . 2]" 1
306 1 15 ASP H 1 15 ASP QB . . 2.700 2.430 2.209 2.566 . 0 0 "[ . 1 . 2]" 1
307 1 15 ASP H 1 16 GLN H . . 4.580 4.457 4.444 4.473 . 0 0 "[ . 1 . 2]" 1
308 1 15 ASP H 1 25 CYS H . . 5.500 5.490 5.432 5.524 0.024 11 0 "[ . 1 . 2]" 1
309 1 15 ASP H 1 25 CYS HB3 . . 4.130 3.974 3.919 4.060 . 0 0 "[ . 1 . 2]" 1
310 1 15 ASP HA 1 16 GLN H . . 2.600 2.140 2.139 2.142 . 0 0 "[ . 1 . 2]" 1
311 1 15 ASP HA 1 16 GLN HB2 . . 4.770 4.641 4.618 4.669 . 0 0 "[ . 1 . 2]" 1
312 1 15 ASP HA 1 17 CYS H . . 5.030 4.766 4.749 4.782 . 0 0 "[ . 1 . 2]" 1
313 1 15 ASP HA 1 25 CYS HA . . 5.500 4.848 4.817 4.872 . 0 0 "[ . 1 . 2]" 1
314 1 16 GLN H 1 16 GLN HB2 . . 3.020 2.760 2.738 2.779 . 0 0 "[ . 1 . 2]" 1
315 1 16 GLN H 1 16 GLN HB3 . . 4.010 3.846 3.835 3.856 . 0 0 "[ . 1 . 2]" 1
316 1 16 GLN H 1 16 GLN HG2 . . 3.660 3.336 3.168 3.469 . 0 0 "[ . 1 . 2]" 1
317 1 16 GLN H 1 16 GLN HG3 . . 3.940 3.617 3.492 3.834 . 0 0 "[ . 1 . 2]" 1
318 1 16 GLN H 1 17 CYS H . . 3.570 3.435 3.417 3.459 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLN H 1 17 CYS HA . . 4.860 4.627 4.610 4.646 . 0 0 "[ . 1 . 2]" 1
320 1 16 GLN H 1 25 CYS HB3 . . 4.290 4.067 4.008 4.122 . 0 0 "[ . 1 . 2]" 1
321 1 16 GLN HA 1 16 GLN HG2 . . 3.870 2.490 2.416 2.594 . 0 0 "[ . 1 . 2]" 1
322 1 16 GLN HA 1 16 GLN HG3 . . 3.990 3.677 3.608 3.762 . 0 0 "[ . 1 . 2]" 1
323 1 16 GLN HA 1 17 CYS H . . 3.390 2.367 2.365 2.368 . 0 0 "[ . 1 . 2]" 1
324 1 16 GLN HG2 1 17 CYS H . . 4.790 4.725 4.696 4.775 . 0 0 "[ . 1 . 2]" 1
325 1 17 CYS H 1 17 CYS HB2 . . 2.810 2.527 2.512 2.539 . 0 0 "[ . 1 . 2]" 1
326 1 17 CYS H 1 17 CYS HB3 . . 3.740 3.712 3.703 3.720 . 0 0 "[ . 1 . 2]" 1
327 1 17 CYS H 1 24 ALA HA . . 4.350 4.266 4.245 4.285 . 0 0 "[ . 1 . 2]" 1
328 1 17 CYS H 1 24 ALA MB . . 5.500 5.513 5.504 5.522 0.022 14 0 "[ . 1 . 2]" 1
329 1 17 CYS H 1 25 CYS H . . 5.420 4.816 4.792 4.846 . 0 0 "[ . 1 . 2]" 1
330 1 17 CYS H 1 25 CYS HB2 . . 4.650 4.616 4.582 4.655 0.005 14 0 "[ . 1 . 2]" 1
331 1 17 CYS HA 1 18 CYS H . . 2.780 2.658 2.654 2.662 . 0 0 "[ . 1 . 2]" 1
332 1 17 CYS HB2 1 18 CYS H . . 4.310 3.221 3.199 3.244 . 0 0 "[ . 1 . 2]" 1
333 1 17 CYS HB2 1 23 LEU HB2 . . 3.790 3.101 3.079 3.144 . 0 0 "[ . 1 . 2]" 1
334 1 17 CYS HB2 1 23 LEU HB3 . . 3.730 3.107 3.073 3.164 . 0 0 "[ . 1 . 2]" 1
335 1 17 CYS HB2 1 24 ALA H . . 4.310 3.720 3.684 3.749 . 0 0 "[ . 1 . 2]" 1
336 1 17 CYS HB2 1 24 ALA HA . . 3.370 2.804 2.768 2.817 . 0 0 "[ . 1 . 2]" 1
337 1 17 CYS HB2 1 24 ALA MB . . 4.530 4.322 4.302 4.332 . 0 0 "[ . 1 . 2]" 1
338 1 17 CYS HB2 1 25 CYS H . . 4.540 4.125 4.096 4.146 . 0 0 "[ . 1 . 2]" 1
339 1 17 CYS HB2 1 32 CYS HB3 . . 4.440 3.944 3.892 4.025 . 0 0 "[ . 1 . 2]" 1
340 1 17 CYS HB3 1 18 CYS H . . 3.370 1.925 1.921 1.930 . 0 0 "[ . 1 . 2]" 1
341 1 17 CYS HB3 1 19 LYS H . . 5.500 5.343 5.187 5.405 . 0 0 "[ . 1 . 2]" 1
342 1 17 CYS HB3 1 23 LEU H . . 4.940 4.745 4.693 4.791 . 0 0 "[ . 1 . 2]" 1
343 1 17 CYS HB3 1 23 LEU HB2 . . 3.240 2.397 2.352 2.431 . 0 0 "[ . 1 . 2]" 1
344 1 17 CYS HB3 1 23 LEU HB3 . . 3.180 2.300 2.267 2.318 . 0 0 "[ . 1 . 2]" 1
345 1 17 CYS HB3 1 23 LEU MD1 . . 4.290 2.689 2.641 2.741 . 0 0 "[ . 1 . 2]" 1
346 1 17 CYS HB3 1 23 LEU MD2 . . 4.700 4.174 4.149 4.193 . 0 0 "[ . 1 . 2]" 1
347 1 17 CYS HB3 1 24 ALA H . . 4.190 3.966 3.940 3.990 . 0 0 "[ . 1 . 2]" 1
348 1 17 CYS HB3 1 24 ALA HA . . 4.230 4.225 4.167 4.242 0.012 16 0 "[ . 1 . 2]" 1
349 1 17 CYS HB3 1 32 CYS HB3 . . 4.350 2.768 2.716 2.844 . 0 0 "[ . 1 . 2]" 1
350 1 18 CYS H 1 18 CYS HB2 . . 2.920 2.400 2.386 2.412 . 0 0 "[ . 1 . 2]" 1
351 1 18 CYS H 1 18 CYS HB3 . . 3.730 3.610 3.607 3.615 . 0 0 "[ . 1 . 2]" 1
352 1 18 CYS H 1 19 LYS H . . 4.910 4.268 4.188 4.299 . 0 0 "[ . 1 . 2]" 1
353 1 18 CYS H 1 19 LYS HA . . 5.500 5.158 5.113 5.181 . 0 0 "[ . 1 . 2]" 1
354 1 18 CYS H 1 19 LYS QG . . 5.340 5.319 5.251 5.341 0.001 18 0 "[ . 1 . 2]" 1
355 1 18 CYS H 1 21 SER QB . . 4.890 4.709 4.651 4.801 . 0 0 "[ . 1 . 2]" 1
356 1 18 CYS H 1 23 LEU H . . 5.060 4.775 4.737 4.817 . 0 0 "[ . 1 . 2]" 1
357 1 18 CYS H 1 23 LEU HA . . 5.500 5.494 5.479 5.505 0.005 4 0 "[ . 1 . 2]" 1
358 1 18 CYS H 1 23 LEU HB2 . . 3.240 2.591 2.576 2.608 . 0 0 "[ . 1 . 2]" 1
359 1 18 CYS H 1 23 LEU HB3 . . 4.070 3.414 3.390 3.433 . 0 0 "[ . 1 . 2]" 1
360 1 18 CYS H 1 23 LEU MD1 . . 3.110 2.085 2.023 2.122 . 0 0 "[ . 1 . 2]" 1
361 1 18 CYS H 1 23 LEU MD2 . . 4.930 4.628 4.596 4.644 . 0 0 "[ . 1 . 2]" 1
362 1 18 CYS H 1 24 ALA H . . 5.500 5.543 5.533 5.550 0.050 7 0 "[ . 1 . 2]" 1
363 1 18 CYS H 1 32 CYS HB3 . . 5.310 4.025 3.979 4.070 . 0 0 "[ . 1 . 2]" 1
364 1 18 CYS HA 1 19 LYS H . . 2.630 2.170 2.159 2.198 . 0 0 "[ . 1 . 2]" 1
365 1 18 CYS HA 1 20 SER H . . 4.040 3.576 3.497 3.622 . 0 0 "[ . 1 . 2]" 1
366 1 18 CYS HA 1 21 SER H . . 4.400 4.393 4.323 4.409 0.009 16 0 "[ . 1 . 2]" 1
367 1 18 CYS HB2 1 19 LYS H . . 4.560 4.461 4.447 4.493 . 0 0 "[ . 1 . 2]" 1
368 1 18 CYS HB2 1 20 SER H . . 5.080 4.723 4.671 4.808 . 0 0 "[ . 1 . 2]" 1
369 1 18 CYS HB2 1 21 SER H . . 3.680 3.522 3.480 3.566 . 0 0 "[ . 1 . 2]" 1
370 1 18 CYS HB2 1 21 SER QB . . 3.490 2.841 2.680 3.016 . 0 0 "[ . 1 . 2]" 1
371 1 18 CYS HB2 1 23 LEU H . . 4.900 4.726 4.641 4.832 . 0 0 "[ . 1 . 2]" 1
372 1 18 CYS HB2 1 23 LEU HB2 . . 4.370 3.278 3.234 3.344 . 0 0 "[ . 1 . 2]" 1
373 1 18 CYS HB2 1 23 LEU MD1 . . 3.250 1.944 1.934 1.951 . 0 0 "[ . 1 . 2]" 1
374 1 18 CYS HB2 1 23 LEU HG . . 4.490 3.317 3.238 3.421 . 0 0 "[ . 1 . 2]" 1
375 1 18 CYS HB3 1 19 LYS H . . 3.890 3.790 3.743 3.891 0.000 19 0 "[ . 1 . 2]" 1
376 1 18 CYS HB3 1 19 LYS HA . . 5.330 5.114 5.078 5.168 . 0 0 "[ . 1 . 2]" 1
377 1 18 CYS HB3 1 20 SER H . . 4.210 3.424 3.356 3.518 . 0 0 "[ . 1 . 2]" 1
378 1 18 CYS HB3 1 21 SER H . . 3.400 2.825 2.773 2.891 . 0 0 "[ . 1 . 2]" 1
379 1 18 CYS HB3 1 21 SER QB . . 4.050 3.174 2.966 3.473 . 0 0 "[ . 1 . 2]" 1
380 1 18 CYS HB3 1 23 LEU MD1 . . 3.780 3.473 3.447 3.491 . 0 0 "[ . 1 . 2]" 1
381 1 19 LYS H 1 19 LYS HB2 . . 2.880 2.606 2.535 2.636 . 0 0 "[ . 1 . 2]" 1
382 1 19 LYS H 1 19 LYS HB3 . . 3.720 3.592 3.586 3.594 . 0 0 "[ . 1 . 2]" 1
383 1 19 LYS H 1 19 LYS HD2 . . 4.420 4.075 3.315 4.420 . 18 0 "[ . 1 . 2]" 1
384 1 19 LYS H 1 19 LYS QD . . 3.660 3.250 3.104 3.668 0.008 19 0 "[ . 1 . 2]" 1
385 1 19 LYS H 1 19 LYS HD3 . . 4.420 3.528 3.196 4.027 . 0 0 "[ . 1 . 2]" 1
386 1 19 LYS H 1 19 LYS QE . . 4.910 4.221 2.519 4.834 . 0 0 "[ . 1 . 2]" 1
387 1 19 LYS H 1 19 LYS HG2 . . 3.670 2.003 1.958 2.118 . 0 0 "[ . 1 . 2]" 1
388 1 19 LYS H 1 19 LYS QG . . 3.140 1.991 1.947 2.103 . 0 0 "[ . 1 . 2]" 1
389 1 19 LYS H 1 19 LYS HG3 . . 3.670 3.507 3.463 3.576 . 0 0 "[ . 1 . 2]" 1
390 1 19 LYS H 1 21 SER H . . 4.880 4.257 4.199 4.339 . 0 0 "[ . 1 . 2]" 1
391 1 19 LYS H 1 23 LEU H . . 5.130 4.647 4.594 4.677 . 0 0 "[ . 1 . 2]" 1
392 1 19 LYS H 1 23 LEU MD1 . . 5.500 5.205 5.153 5.254 . 0 0 "[ . 1 . 2]" 1
393 1 19 LYS HA 1 19 LYS HD2 . . 4.000 2.722 2.012 3.825 . 0 0 "[ . 1 . 2]" 1
394 1 19 LYS HA 1 19 LYS QD . . 3.460 2.182 2.002 2.386 . 0 0 "[ . 1 . 2]" 1
395 1 19 LYS HA 1 19 LYS HD3 . . 4.000 2.668 2.148 3.730 . 0 0 "[ . 1 . 2]" 1
396 1 19 LYS HA 1 19 LYS HG2 . . 3.980 3.155 3.079 3.202 . 0 0 "[ . 1 . 2]" 1
397 1 19 LYS HA 1 19 LYS HG3 . . 3.980 3.812 3.775 3.831 . 0 0 "[ . 1 . 2]" 1
398 1 19 LYS HA 1 22 SER H . . 3.850 3.508 3.475 3.552 . 0 0 "[ . 1 . 2]" 1
399 1 19 LYS HA 1 23 LEU H . . 3.150 2.537 2.461 2.593 . 0 0 "[ . 1 . 2]" 1
400 1 19 LYS HB2 1 20 SER H . . 3.950 2.782 2.717 2.820 . 0 0 "[ . 1 . 2]" 1
401 1 19 LYS HB2 1 21 SER H . . 5.290 5.073 5.012 5.128 . 0 0 "[ . 1 . 2]" 1
402 1 19 LYS HB3 1 19 LYS HD2 . . 3.900 2.590 2.292 3.458 . 0 0 "[ . 1 . 2]" 1
403 1 19 LYS HB3 1 19 LYS QD . . 3.420 2.421 2.245 2.829 . 0 0 "[ . 1 . 2]" 1
404 1 19 LYS HB3 1 19 LYS HD3 . . 3.900 3.242 2.339 3.736 . 0 0 "[ . 1 . 2]" 1
405 1 19 LYS HB3 1 20 SER HA . . 5.100 4.643 4.560 4.680 . 0 0 "[ . 1 . 2]" 1
406 1 19 LYS HB3 1 22 SER H . . 4.950 4.816 4.761 4.874 . 0 0 "[ . 1 . 2]" 1
407 1 19 LYS HB3 1 23 LEU H . . 4.940 4.813 4.746 4.882 . 0 0 "[ . 1 . 2]" 1
408 1 19 LYS QD 1 19 LYS QG . . 2.320 2.064 2.015 2.092 . 0 0 "[ . 1 . 2]" 1
409 1 19 LYS QE 1 24 ALA MB . . 5.090 4.552 3.734 5.092 0.002 9 0 "[ . 1 . 2]" 1
410 1 19 LYS QG 1 20 SER H . . 5.230 3.939 3.884 4.042 . 0 0 "[ . 1 . 2]" 1
411 1 20 SER H 1 20 SER HB2 . . 3.860 2.882 2.197 3.588 . 0 0 "[ . 1 . 2]" 1
412 1 20 SER H 1 20 SER QB . . 3.310 2.370 2.139 2.760 . 0 0 "[ . 1 . 2]" 1
413 1 20 SER H 1 20 SER HB3 . . 3.860 2.889 2.242 3.592 . 0 0 "[ . 1 . 2]" 1
414 1 20 SER H 1 21 SER H . . 3.330 2.736 2.711 2.750 . 0 0 "[ . 1 . 2]" 1
415 1 20 SER H 1 22 SER H . . 4.250 4.088 4.065 4.118 . 0 0 "[ . 1 . 2]" 1
416 1 20 SER HA 1 22 SER H . . 4.190 3.676 3.649 3.714 . 0 0 "[ . 1 . 2]" 1
417 1 20 SER QB 1 21 SER H . . 4.090 2.971 2.646 3.489 . 0 0 "[ . 1 . 2]" 1
418 1 21 SER H 1 21 SER QB . . 2.910 2.403 2.244 2.650 . 0 0 "[ . 1 . 2]" 1
419 1 21 SER H 1 22 SER H . . 2.640 2.638 2.619 2.650 0.010 10 0 "[ . 1 . 2]" 1
420 1 21 SER H 1 23 LEU HB2 . . 4.750 4.570 4.521 4.629 . 0 0 "[ . 1 . 2]" 1
421 1 21 SER H 1 23 LEU MD1 . . 4.460 4.240 4.188 4.301 . 0 0 "[ . 1 . 2]" 1
422 1 21 SER H 1 23 LEU MD2 . . 5.500 5.214 5.132 5.282 . 0 0 "[ . 1 . 2]" 1
423 1 21 SER H 1 23 LEU HG . . 4.170 3.856 3.771 3.933 . 0 0 "[ . 1 . 2]" 1
424 1 21 SER HA 1 22 SER HA . . 5.090 4.996 4.987 5.006 . 0 0 "[ . 1 . 2]" 1
425 1 21 SER HA 1 22 SER QB . . 4.540 3.894 3.864 3.924 . 0 0 "[ . 1 . 2]" 1
426 1 21 SER QB 1 22 SER H . . 3.970 3.680 3.655 3.708 . 0 0 "[ . 1 . 2]" 1
427 1 21 SER QB 1 23 LEU H . . 4.590 4.083 3.964 4.228 . 0 0 "[ . 1 . 2]" 1
428 1 21 SER QB 1 23 LEU HB2 . . 5.240 3.959 3.874 4.066 . 0 0 "[ . 1 . 2]" 1
429 1 21 SER QB 1 23 LEU MD1 . . 3.380 2.555 2.492 2.644 . 0 0 "[ . 1 . 2]" 1
430 1 21 SER QB 1 23 LEU MD2 . . 4.090 3.187 3.075 3.288 . 0 0 "[ . 1 . 2]" 1
431 1 21 SER QB 1 23 LEU HG . . 3.350 2.205 1.998 2.432 . 0 0 "[ . 1 . 2]" 1
432 1 21 SER QB 1 34 TYR QE . . 3.610 3.035 2.520 3.596 . 0 0 "[ . 1 . 2]" 1
433 1 21 SER HB2 1 23 LEU MD1 . . 4.140 2.903 2.561 3.670 . 0 0 "[ . 1 . 2]" 1
434 1 21 SER HB2 1 23 LEU MD2 . . 4.800 3.925 3.367 4.778 . 0 0 "[ . 1 . 2]" 1
435 1 21 SER HB2 1 23 LEU HG . . 4.010 2.712 2.070 3.843 . 0 0 "[ . 1 . 2]" 1
436 1 21 SER HB3 1 23 LEU MD1 . . 4.140 3.180 2.546 3.612 . 0 0 "[ . 1 . 2]" 1
437 1 21 SER HB3 1 23 LEU MD2 . . 4.800 3.483 3.164 3.953 . 0 0 "[ . 1 . 2]" 1
438 1 21 SER HB3 1 23 LEU HG . . 4.010 2.816 2.007 3.464 . 0 0 "[ . 1 . 2]" 1
439 1 22 SER H 1 22 SER HA . . 2.520 2.279 2.278 2.280 . 0 0 "[ . 1 . 2]" 1
440 1 22 SER H 1 22 SER QB . . 3.350 3.043 2.866 3.171 . 0 0 "[ . 1 . 2]" 1
441 1 22 SER H 1 23 LEU H . . 3.260 2.989 2.941 3.046 . 0 0 "[ . 1 . 2]" 1
442 1 22 SER H 1 23 LEU HB2 . . 5.050 4.963 4.937 4.986 . 0 0 "[ . 1 . 2]" 1
443 1 22 SER H 1 23 LEU MD1 . . 5.440 5.303 5.281 5.326 . 0 0 "[ . 1 . 2]" 1
444 1 22 SER H 1 23 LEU HG . . 4.590 4.231 4.202 4.267 . 0 0 "[ . 1 . 2]" 1
445 1 22 SER HA 1 23 LEU H . . 3.140 2.555 2.511 2.591 . 0 0 "[ . 1 . 2]" 1
446 1 22 SER HA 1 23 LEU HB2 . . 5.440 5.043 5.010 5.071 . 0 0 "[ . 1 . 2]" 1
447 1 22 SER HA 1 23 LEU MD2 . . 5.500 4.957 4.897 5.123 . 0 0 "[ . 1 . 2]" 1
448 1 22 SER QB 1 23 LEU H . . 4.440 3.947 3.917 3.996 . 0 0 "[ . 1 . 2]" 1
449 1 22 SER QB 1 34 TYR QD . . 3.980 3.162 2.830 3.440 . 0 0 "[ . 1 . 2]" 1
450 1 22 SER QB 1 34 TYR QE . . 4.640 4.233 3.952 4.418 . 0 0 "[ . 1 . 2]" 1
451 1 22 SER QB 1 35 GLU H . . 3.830 3.104 2.847 3.465 . 0 0 "[ . 1 . 2]" 1
452 1 22 SER HB2 1 34 TYR QD . . 4.560 3.998 3.329 4.564 0.004 11 0 "[ . 1 . 2]" 1
453 1 22 SER HB2 1 34 TYR QE . . 5.500 4.827 4.215 5.399 . 0 0 "[ . 1 . 2]" 1
454 1 22 SER HB3 1 34 TYR QD . . 4.560 3.494 2.859 3.946 . 0 0 "[ . 1 . 2]" 1
455 1 22 SER HB3 1 34 TYR QE . . 5.500 4.999 4.083 5.501 0.001 12 0 "[ . 1 . 2]" 1
456 1 23 LEU H 1 23 LEU HB2 . . 2.860 2.507 2.478 2.531 . 0 0 "[ . 1 . 2]" 1
457 1 23 LEU H 1 23 LEU HB3 . . 3.840 3.699 3.682 3.715 . 0 0 "[ . 1 . 2]" 1
458 1 23 LEU H 1 23 LEU MD1 . . 4.240 4.070 4.023 4.113 . 0 0 "[ . 1 . 2]" 1
459 1 23 LEU H 1 23 LEU MD2 . . 3.850 3.738 3.683 3.831 . 0 0 "[ . 1 . 2]" 1
460 1 23 LEU H 1 23 LEU HG . . 3.190 3.014 2.955 3.066 . 0 0 "[ . 1 . 2]" 1
461 1 23 LEU H 1 24 ALA H . . 4.820 4.510 4.498 4.521 . 0 0 "[ . 1 . 2]" 1
462 1 23 LEU HA 1 23 LEU MD1 . . 4.330 3.838 3.833 3.846 . 0 0 "[ . 1 . 2]" 1
463 1 23 LEU HA 1 23 LEU MD2 . . 3.260 1.966 1.955 1.994 . 0 0 "[ . 1 . 2]" 1
464 1 23 LEU HA 1 23 LEU HG . . 4.180 3.123 3.084 3.144 . 0 0 "[ . 1 . 2]" 1
465 1 23 LEU HA 1 24 ALA H . . 2.670 2.392 2.385 2.404 . 0 0 "[ . 1 . 2]" 1
466 1 23 LEU HA 1 24 ALA MB . . 4.660 3.808 3.722 3.838 . 0 0 "[ . 1 . 2]" 1
467 1 23 LEU HA 1 33 LYS H . . 4.650 4.628 4.560 4.659 0.009 4 0 "[ . 1 . 2]" 1
468 1 23 LEU HB2 1 23 LEU MD1 . . 3.400 2.279 2.255 2.288 . 0 0 "[ . 1 . 2]" 1
469 1 23 LEU HB2 1 24 ALA H . . 3.780 3.680 3.662 3.693 . 0 0 "[ . 1 . 2]" 1
470 1 23 LEU HB2 1 32 CYS HB3 . . 3.880 3.615 3.598 3.638 . 0 0 "[ . 1 . 2]" 1
471 1 23 LEU HB3 1 23 LEU MD1 . . 3.520 2.406 2.398 2.423 . 0 0 "[ . 1 . 2]" 1
472 1 23 LEU HB3 1 23 LEU MD2 . . 3.430 2.391 2.345 2.411 . 0 0 "[ . 1 . 2]" 1
473 1 23 LEU HB3 1 24 ALA H . . 3.240 2.435 2.405 2.452 . 0 0 "[ . 1 . 2]" 1
474 1 23 LEU HB3 1 32 CYS H . . 5.500 5.540 5.531 5.546 0.046 18 0 "[ . 1 . 2]" 1
475 1 23 LEU HB3 1 32 CYS HB2 . . 4.180 3.857 3.835 3.903 . 0 0 "[ . 1 . 2]" 1
476 1 23 LEU HB3 1 32 CYS HB3 . . 3.300 2.124 2.109 2.157 . 0 0 "[ . 1 . 2]" 1
477 1 23 LEU HB3 1 33 LYS H . . 4.470 4.428 4.368 4.462 . 0 0 "[ . 1 . 2]" 1
478 1 23 LEU MD1 1 24 ALA H . . 4.710 4.356 4.345 4.371 . 0 0 "[ . 1 . 2]" 1
479 1 23 LEU MD1 1 32 CYS H . . 5.500 5.131 5.117 5.151 . 0 0 "[ . 1 . 2]" 1
480 1 23 LEU MD1 1 32 CYS HB2 . . 3.980 2.955 2.926 2.980 . 0 0 "[ . 1 . 2]" 1
481 1 23 LEU MD1 1 32 CYS HB3 . . 3.520 2.276 2.238 2.305 . 0 0 "[ . 1 . 2]" 1
482 1 23 LEU MD1 1 33 LYS HA . . 5.500 5.472 5.443 5.492 . 0 0 "[ . 1 . 2]" 1
483 1 23 LEU MD1 1 34 TYR QD . . 5.290 4.854 4.819 4.889 . 0 0 "[ . 1 . 2]" 1
484 1 23 LEU MD1 1 34 TYR QE . . 4.220 4.208 4.171 4.222 0.002 4 0 "[ . 1 . 2]" 1
485 1 23 LEU MD2 1 24 ALA H . . 3.560 3.254 3.028 3.311 . 0 0 "[ . 1 . 2]" 1
486 1 23 LEU MD2 1 32 CYS H . . 5.500 5.330 5.304 5.415 . 0 0 "[ . 1 . 2]" 1
487 1 23 LEU MD2 1 32 CYS HB2 . . 4.250 3.518 3.485 3.631 . 0 0 "[ . 1 . 2]" 1
488 1 23 LEU MD2 1 32 CYS HB3 . . 3.720 2.705 2.636 2.879 . 0 0 "[ . 1 . 2]" 1
489 1 23 LEU MD2 1 33 LYS H . . 4.240 4.125 3.978 4.176 . 0 0 "[ . 1 . 2]" 1
490 1 23 LEU MD2 1 33 LYS HA . . 3.900 3.664 3.606 3.689 . 0 0 "[ . 1 . 2]" 1
491 1 23 LEU MD2 1 33 LYS HB3 . . 5.500 5.498 5.411 5.509 0.009 7 0 "[ . 1 . 2]" 1
492 1 23 LEU MD2 1 34 TYR H . . 3.810 3.552 3.464 3.618 . 0 0 "[ . 1 . 2]" 1
493 1 23 LEU MD2 1 34 TYR HB2 . . 4.610 4.437 4.284 4.528 . 0 0 "[ . 1 . 2]" 1
494 1 23 LEU MD2 1 34 TYR HB3 . . 4.970 4.355 4.241 4.455 . 0 0 "[ . 1 . 2]" 1
495 1 23 LEU MD2 1 34 TYR QD . . 3.360 2.498 2.361 2.626 . 0 0 "[ . 1 . 2]" 1
496 1 23 LEU MD2 1 34 TYR QE . . 3.550 2.724 2.545 2.828 . 0 0 "[ . 1 . 2]" 1
497 1 23 LEU MD2 1 35 GLU H . . 4.060 3.699 3.622 3.906 . 0 0 "[ . 1 . 2]" 1
498 1 23 LEU HG 1 34 TYR QD . . 4.200 4.145 4.111 4.178 . 0 0 "[ . 1 . 2]" 1
499 1 23 LEU HG 1 34 TYR QE . . 4.070 3.882 3.775 3.980 . 0 0 "[ . 1 . 2]" 1
500 1 23 LEU HG 1 35 GLU H . . 5.500 5.507 5.503 5.512 0.012 4 0 "[ . 1 . 2]" 1
501 1 24 ALA H 1 24 ALA MB . . 3.040 2.796 2.764 2.832 . 0 0 "[ . 1 . 2]" 1
502 1 24 ALA H 1 32 CYS HA . . 4.170 2.930 2.902 2.949 . 0 0 "[ . 1 . 2]" 1
503 1 24 ALA H 1 32 CYS HB2 . . 5.330 4.911 4.894 4.949 . 0 0 "[ . 1 . 2]" 1
504 1 24 ALA H 1 32 CYS HB3 . . 4.320 3.438 3.423 3.463 . 0 0 "[ . 1 . 2]" 1
505 1 24 ALA H 1 33 LYS H . . 3.690 2.854 2.791 2.882 . 0 0 "[ . 1 . 2]" 1
506 1 24 ALA H 1 34 TYR H . . 5.500 5.290 5.202 5.404 . 0 0 "[ . 1 . 2]" 1
507 1 24 ALA H 1 35 GLU QG . . 4.050 3.771 3.493 4.047 . 0 0 "[ . 1 . 2]" 1
508 1 24 ALA HA 1 25 CYS H . . 3.130 2.285 2.284 2.287 . 0 0 "[ . 1 . 2]" 1
509 1 24 ALA HA 1 25 CYS HB2 . . 4.600 4.194 4.190 4.199 . 0 0 "[ . 1 . 2]" 1
510 1 24 ALA HA 1 32 CYS HB3 . . 5.500 5.210 5.175 5.292 . 0 0 "[ . 1 . 2]" 1
511 1 24 ALA MB 1 25 CYS H . . 3.540 2.665 2.634 2.754 . 0 0 "[ . 1 . 2]" 1
512 1 24 ALA MB 1 25 CYS HA . . 4.340 4.206 4.154 4.227 . 0 0 "[ . 1 . 2]" 1
513 1 24 ALA MB 1 25 CYS HB2 . . 5.500 4.778 4.768 4.800 . 0 0 "[ . 1 . 2]" 1
514 1 24 ALA MB 1 25 CYS HB3 . . 4.910 4.878 4.855 4.918 0.008 14 0 "[ . 1 . 2]" 1
515 1 24 ALA MB 1 35 GLU H . . 4.720 4.314 4.206 4.442 . 0 0 "[ . 1 . 2]" 1
516 1 24 ALA MB 1 35 GLU HA . . 5.120 4.186 3.854 4.546 . 0 0 "[ . 1 . 2]" 1
517 1 24 ALA MB 1 35 GLU QB . . 3.780 3.397 2.861 3.672 . 0 0 "[ . 1 . 2]" 1
518 1 24 ALA MB 1 35 GLU QG . . 3.610 1.887 1.808 1.998 . 0 0 "[ . 1 . 2]" 1
519 1 25 CYS H 1 25 CYS HB2 . . 3.500 2.502 2.488 2.511 . 0 0 "[ . 1 . 2]" 1
520 1 25 CYS H 1 25 CYS HB3 . . 3.580 2.805 2.797 2.812 . 0 0 "[ . 1 . 2]" 1
521 1 25 CYS HA 1 26 SER H . . 3.120 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
522 1 25 CYS HA 1 26 SER HB2 . . 5.500 4.240 4.213 4.257 . 0 0 "[ . 1 . 2]" 1
523 1 25 CYS HA 1 26 SER HB3 . . 5.200 5.164 5.125 5.209 0.009 4 0 "[ . 1 . 2]" 1
524 1 25 CYS HA 1 32 CYS H . . 4.780 4.463 4.446 4.503 . 0 0 "[ . 1 . 2]" 1
525 1 25 CYS HA 1 32 CYS HA . . 3.590 3.060 3.030 3.110 . 0 0 "[ . 1 . 2]" 1
526 1 25 CYS HA 1 33 LYS H . . 3.890 3.553 3.487 3.642 . 0 0 "[ . 1 . 2]" 1
527 1 25 CYS HB2 1 26 SER H . . 4.610 4.506 4.487 4.524 . 0 0 "[ . 1 . 2]" 1
528 1 26 SER H 1 26 SER HB2 . . 3.350 2.366 2.330 2.406 . 0 0 "[ . 1 . 2]" 1
529 1 26 SER H 1 26 SER HB3 . . 3.170 3.027 2.990 3.080 . 0 0 "[ . 1 . 2]" 1
530 1 26 SER H 1 30 LYS H . . 4.920 3.869 3.816 3.920 . 0 0 "[ . 1 . 2]" 1
531 1 26 SER H 1 30 LYS HA . . 4.800 3.877 3.814 3.921 . 0 0 "[ . 1 . 2]" 1
532 1 26 SER H 1 32 CYS H . . 5.500 5.533 5.527 5.545 0.045 20 0 "[ . 1 . 2]" 1
533 1 26 SER H 1 33 LYS H . . 4.510 3.872 3.824 3.944 . 0 0 "[ . 1 . 2]" 1
534 1 26 SER H 1 33 LYS HG3 . . 4.520 4.145 4.094 4.221 . 0 0 "[ . 1 . 2]" 1
535 1 26 SER HA 1 27 THR H . . 3.160 2.208 2.204 2.212 . 0 0 "[ . 1 . 2]" 1
536 1 26 SER HA 1 27 THR HA . . 4.800 4.339 4.337 4.340 . 0 0 "[ . 1 . 2]" 1
537 1 26 SER HA 1 28 LYS H . . 4.150 3.662 3.655 3.668 . 0 0 "[ . 1 . 2]" 1
538 1 26 SER HB2 1 27 THR H . . 4.870 4.315 4.303 4.323 . 0 0 "[ . 1 . 2]" 1
539 1 26 SER HB2 1 29 HIS H . . 4.680 3.979 3.892 4.061 . 0 0 "[ . 1 . 2]" 1
540 1 26 SER HB2 1 29 HIS HB2 . . 4.370 4.189 4.038 4.338 . 0 0 "[ . 1 . 2]" 1
541 1 26 SER HB2 1 31 TRP HD1 . . 4.170 4.117 4.056 4.173 0.003 4 0 "[ . 1 . 2]" 1
542 1 26 SER HB2 1 33 LYS HB2 . . 5.030 4.783 4.733 4.866 . 0 0 "[ . 1 . 2]" 1
543 1 26 SER HB2 1 33 LYS HB3 . . 4.950 4.227 4.175 4.319 . 0 0 "[ . 1 . 2]" 1
544 1 26 SER HB2 1 33 LYS HD3 . . 4.600 3.849 3.774 3.959 . 0 0 "[ . 1 . 2]" 1
545 1 26 SER HB2 1 33 LYS HG2 . . 3.730 2.246 2.198 2.337 . 0 0 "[ . 1 . 2]" 1
546 1 26 SER HB2 1 33 LYS HG3 . . 4.830 3.371 3.312 3.432 . 0 0 "[ . 1 . 2]" 1
547 1 26 SER HB3 1 28 LYS QB . . 4.570 3.076 2.947 3.222 . 0 0 "[ . 1 . 2]" 1
548 1 26 SER HB3 1 29 HIS H . . 4.170 2.356 2.284 2.448 . 0 0 "[ . 1 . 2]" 1
549 1 26 SER HB3 1 29 HIS HB2 . . 3.820 3.398 3.245 3.595 . 0 0 "[ . 1 . 2]" 1
550 1 26 SER HB3 1 29 HIS HD2 . . 4.810 4.701 4.377 4.816 0.006 7 0 "[ . 1 . 2]" 1
551 1 26 SER HB3 1 30 LYS H . . 4.110 3.129 3.053 3.245 . 0 0 "[ . 1 . 2]" 1
552 1 26 SER HB3 1 31 TRP HD1 . . 4.300 3.996 3.885 4.138 . 0 0 "[ . 1 . 2]" 1
553 1 26 SER HB3 1 33 LYS HG2 . . 4.880 3.605 3.508 3.719 . 0 0 "[ . 1 . 2]" 1
554 1 27 THR H 1 27 THR HB . . 4.070 2.806 2.710 2.976 . 0 0 "[ . 1 . 2]" 1
555 1 27 THR H 1 27 THR MG . . 3.850 3.749 3.681 3.775 . 0 0 "[ . 1 . 2]" 1
556 1 27 THR H 1 28 LYS H . . 3.260 2.574 2.566 2.580 . 0 0 "[ . 1 . 2]" 1
557 1 27 THR HA 1 27 THR MG . . 3.290 2.113 1.994 2.216 . 0 0 "[ . 1 . 2]" 1
558 1 27 THR HA 1 30 LYS H . . 5.190 3.718 3.668 3.763 . 0 0 "[ . 1 . 2]" 1
559 1 27 THR HA 1 30 LYS HD3 . . 4.640 4.573 4.531 4.645 0.005 19 0 "[ . 1 . 2]" 1
560 1 27 THR HA 1 30 LYS HG2 . . 4.460 2.977 2.919 3.032 . 0 0 "[ . 1 . 2]" 1
561 1 27 THR HB 1 28 LYS H . . 3.840 3.592 3.561 3.631 . 0 0 "[ . 1 . 2]" 1
562 1 27 THR MG 1 28 LYS H . . 4.510 4.270 4.213 4.357 . 0 0 "[ . 1 . 2]" 1
563 1 28 LYS H 1 28 LYS HB2 . . 3.440 2.343 2.161 2.823 . 0 0 "[ . 1 . 2]" 1
564 1 28 LYS H 1 28 LYS QB . . 2.930 2.223 2.136 2.335 . 0 0 "[ . 1 . 2]" 1
565 1 28 LYS H 1 28 LYS HB3 . . 3.440 3.036 2.437 3.436 . 0 0 "[ . 1 . 2]" 1
566 1 28 LYS H 1 28 LYS HD2 . . 5.500 5.046 4.397 5.555 0.055 18 0 "[ . 1 . 2]" 1
567 1 28 LYS H 1 28 LYS HD3 . . 5.500 4.503 3.881 5.540 0.040 13 0 "[ . 1 . 2]" 1
568 1 28 LYS H 1 28 LYS QE . . 5.500 5.275 4.694 5.533 0.033 19 0 "[ . 1 . 2]" 1
569 1 28 LYS H 1 28 LYS HG2 . . 4.790 4.508 3.656 4.711 . 0 0 "[ . 1 . 2]" 1
570 1 28 LYS H 1 28 LYS QG . . 4.020 3.770 3.323 4.071 0.051 1 0 "[ . 1 . 2]" 1
571 1 28 LYS H 1 28 LYS HG3 . . 4.790 4.121 3.433 4.630 . 0 0 "[ . 1 . 2]" 1
572 1 28 LYS H 1 29 HIS H . . 3.270 2.389 2.372 2.421 . 0 0 "[ . 1 . 2]" 1
573 1 28 LYS H 1 30 LYS H . . 4.190 3.172 3.158 3.191 . 0 0 "[ . 1 . 2]" 1
574 1 28 LYS HA 1 28 LYS HD2 . . 4.750 3.880 2.054 4.510 . 0 0 "[ . 1 . 2]" 1
575 1 28 LYS HA 1 28 LYS QD . . 4.090 3.313 2.032 3.966 . 0 0 "[ . 1 . 2]" 1
576 1 28 LYS HA 1 28 LYS HD3 . . 4.750 3.759 2.079 4.712 . 0 0 "[ . 1 . 2]" 1
577 1 28 LYS HA 1 28 LYS HG2 . . 4.120 2.909 2.216 3.794 . 0 0 "[ . 1 . 2]" 1
578 1 28 LYS HA 1 28 LYS QG . . 3.550 2.279 2.059 3.006 . 0 0 "[ . 1 . 2]" 1
579 1 28 LYS HA 1 28 LYS HG3 . . 4.120 2.653 2.088 3.586 . 0 0 "[ . 1 . 2]" 1
580 1 28 LYS QB 1 29 HIS H . . 3.490 2.458 2.352 2.552 . 0 0 "[ . 1 . 2]" 1
581 1 28 LYS QB 1 29 HIS HA . . 5.340 4.046 3.931 4.366 . 0 0 "[ . 1 . 2]" 1
582 1 28 LYS QB 1 29 HIS HB2 . . 5.180 4.018 3.896 4.234 . 0 0 "[ . 1 . 2]" 1
583 1 28 LYS QB 1 29 HIS HD2 . . 4.430 4.337 4.107 4.446 0.016 20 0 "[ . 1 . 2]" 1
584 1 28 LYS QB 1 29 HIS HE1 . . 4.660 4.501 3.997 4.675 0.015 19 0 "[ . 1 . 2]" 1
585 1 28 LYS QB 1 30 LYS H . . 5.310 4.182 4.148 4.216 . 0 0 "[ . 1 . 2]" 1
586 1 28 LYS HB2 1 29 HIS H . . 4.000 3.220 2.745 3.815 . 0 0 "[ . 1 . 2]" 1
587 1 28 LYS HB3 1 29 HIS H . . 4.000 2.629 2.380 2.987 . 0 0 "[ . 1 . 2]" 1
588 1 28 LYS QE 1 29 HIS HE1 . . 4.970 4.389 2.240 4.980 0.010 20 0 "[ . 1 . 2]" 1
589 1 28 LYS QG 1 29 HIS HE1 . . 5.340 4.625 2.973 5.345 0.005 12 0 "[ . 1 . 2]" 1
590 1 29 HIS H 1 29 HIS HB2 . . 3.760 2.449 2.431 2.508 . 0 0 "[ . 1 . 2]" 1
591 1 29 HIS H 1 29 HIS HD2 . . 4.770 4.301 4.163 4.401 . 0 0 "[ . 1 . 2]" 1
592 1 29 HIS H 1 30 LYS H . . 3.520 2.063 2.025 2.092 . 0 0 "[ . 1 . 2]" 1
593 1 29 HIS HA 1 29 HIS HD2 . . 4.900 4.776 4.745 4.818 . 0 0 "[ . 1 . 2]" 1
594 1 29 HIS HA 1 30 LYS HG3 . . 5.500 4.884 4.859 4.940 . 0 0 "[ . 1 . 2]" 1
595 1 29 HIS HA 1 31 TRP HD1 . . 4.830 4.544 4.488 4.581 . 0 0 "[ . 1 . 2]" 1
596 1 29 HIS HB2 1 29 HIS HD2 . . 3.600 2.758 2.736 2.784 . 0 0 "[ . 1 . 2]" 1
597 1 29 HIS HB2 1 31 TRP HD1 . . 3.760 2.137 2.005 2.201 . 0 0 "[ . 1 . 2]" 1
598 1 29 HIS HB2 1 31 TRP HE1 . . 3.880 2.481 2.412 2.590 . 0 0 "[ . 1 . 2]" 1
599 1 29 HIS HB2 1 31 TRP HZ2 . . 5.240 5.085 4.976 5.247 0.007 20 0 "[ . 1 . 2]" 1
600 1 29 HIS HB2 1 33 LYS HB2 . . 5.500 5.507 5.502 5.514 0.014 11 0 "[ . 1 . 2]" 1
601 1 29 HIS HB2 1 33 LYS HB3 . . 4.840 4.142 4.128 4.151 . 0 0 "[ . 1 . 2]" 1
602 1 30 LYS H 1 30 LYS HG2 . . 4.360 3.539 3.494 3.556 . 0 0 "[ . 1 . 2]" 1
603 1 30 LYS H 1 30 LYS HG3 . . 4.850 3.459 3.433 3.529 . 0 0 "[ . 1 . 2]" 1
604 1 30 LYS HA 1 30 LYS HD2 . . 3.960 3.951 3.909 3.969 0.009 12 0 "[ . 1 . 2]" 1
605 1 30 LYS HA 1 30 LYS HD3 . . 4.500 4.422 4.200 4.491 . 0 0 "[ . 1 . 2]" 1
606 1 30 LYS HA 1 30 LYS HG2 . . 3.610 2.190 2.165 2.200 . 0 0 "[ . 1 . 2]" 1
607 1 30 LYS HA 1 30 LYS HG3 . . 3.640 3.149 3.133 3.190 . 0 0 "[ . 1 . 2]" 1
608 1 30 LYS HA 1 31 TRP HD1 . . 5.110 4.273 4.240 4.332 . 0 0 "[ . 1 . 2]" 1
609 1 30 LYS HB2 1 30 LYS HD2 . . 3.750 3.220 3.014 3.324 . 0 0 "[ . 1 . 2]" 1
610 1 30 LYS HB3 1 30 LYS HD2 . . 3.840 2.200 2.029 2.286 . 0 0 "[ . 1 . 2]" 1
611 1 31 TRP H 1 31 TRP HB3 . . 3.770 3.382 3.372 3.390 . 0 0 "[ . 1 . 2]" 1
612 1 31 TRP HA 1 31 TRP HD1 . . 4.270 3.962 3.943 3.996 . 0 0 "[ . 1 . 2]" 1
613 1 31 TRP HA 1 32 CYS H . . 2.730 2.342 2.326 2.385 . 0 0 "[ . 1 . 2]" 1
614 1 31 TRP HB2 1 31 TRP HD1 . . 3.870 3.858 3.852 3.868 . 0 0 "[ . 1 . 2]" 1
615 1 31 TRP HB2 1 31 TRP HE3 . . 4.140 2.480 2.459 2.492 . 0 0 "[ . 1 . 2]" 1
616 1 31 TRP HB2 1 32 CYS H . . 3.310 2.667 2.574 2.717 . 0 0 "[ . 1 . 2]" 1
617 1 31 TRP HB3 1 31 TRP HD1 . . 3.620 3.207 3.173 3.227 . 0 0 "[ . 1 . 2]" 1
618 1 31 TRP HD1 1 32 CYS H . . 5.070 4.818 4.771 4.852 . 0 0 "[ . 1 . 2]" 1
619 1 31 TRP HD1 1 33 LYS HB2 . . 5.500 5.112 5.093 5.148 . 0 0 "[ . 1 . 2]" 1
620 1 31 TRP HD1 1 33 LYS HB3 . . 3.890 3.424 3.401 3.463 . 0 0 "[ . 1 . 2]" 1
621 1 31 TRP HD1 1 33 LYS QE . . 4.000 3.465 3.273 3.597 . 0 0 "[ . 1 . 2]" 1
622 1 31 TRP HD1 1 33 LYS HG2 . . 3.460 3.463 3.449 3.468 0.008 16 0 "[ . 1 . 2]" 1
623 1 31 TRP HE1 1 33 LYS HB2 . . 4.320 3.612 3.584 3.660 . 0 0 "[ . 1 . 2]" 1
624 1 31 TRP HE1 1 33 LYS HB3 . . 4.620 2.246 2.208 2.294 . 0 0 "[ . 1 . 2]" 1
625 1 31 TRP HE1 1 33 LYS HD2 . . 5.150 5.104 4.974 5.158 0.008 20 0 "[ . 1 . 2]" 1
626 1 31 TRP HE1 1 33 LYS QE . . 4.700 2.609 2.425 2.692 . 0 0 "[ . 1 . 2]" 1
627 1 31 TRP HE1 1 33 LYS HG2 . . 4.360 3.631 3.580 3.654 . 0 0 "[ . 1 . 2]" 1
628 1 31 TRP HE1 1 33 LYS HG3 . . 5.180 4.922 4.883 4.961 . 0 0 "[ . 1 . 2]" 1
629 1 32 CYS H 1 32 CYS HB2 . . 2.950 2.526 2.488 2.550 . 0 0 "[ . 1 . 2]" 1
630 1 32 CYS H 1 32 CYS HB3 . . 3.650 3.592 3.590 3.596 . 0 0 "[ . 1 . 2]" 1
631 1 32 CYS H 1 33 LYS H . . 4.400 4.208 4.188 4.239 . 0 0 "[ . 1 . 2]" 1
632 1 32 CYS HB2 1 33 LYS H . . 4.630 4.458 4.447 4.463 . 0 0 "[ . 1 . 2]" 1
633 1 32 CYS HB3 1 33 LYS H . . 4.150 3.951 3.916 3.975 . 0 0 "[ . 1 . 2]" 1
634 1 33 LYS H 1 33 LYS HB2 . . 3.870 3.645 3.642 3.654 . 0 0 "[ . 1 . 2]" 1
635 1 33 LYS H 1 33 LYS HB3 . . 3.700 3.014 2.988 3.049 . 0 0 "[ . 1 . 2]" 1
636 1 33 LYS H 1 33 LYS HD2 . . 4.640 4.428 4.416 4.436 . 0 0 "[ . 1 . 2]" 1
637 1 33 LYS H 1 33 LYS HD3 . . 5.500 4.537 4.514 4.578 . 0 0 "[ . 1 . 2]" 1
638 1 33 LYS H 1 33 LYS HE2 . . 5.500 5.156 4.976 5.302 . 0 0 "[ . 1 . 2]" 1
639 1 33 LYS H 1 33 LYS HE3 . . 5.500 4.655 4.556 4.818 . 0 0 "[ . 1 . 2]" 1
640 1 33 LYS H 1 33 LYS HG2 . . 3.780 2.411 2.316 2.446 . 0 0 "[ . 1 . 2]" 1
641 1 33 LYS H 1 33 LYS HG3 . . 3.760 2.277 2.239 2.360 . 0 0 "[ . 1 . 2]" 1
642 1 33 LYS HA 1 34 TYR H . . 3.100 2.225 2.202 2.239 . 0 0 "[ . 1 . 2]" 1
643 1 33 LYS HA 1 34 TYR QD . . 5.050 4.794 4.693 4.857 . 0 0 "[ . 1 . 2]" 1
644 1 33 LYS HB2 1 33 LYS HD2 . . 4.190 3.535 3.511 3.554 . 0 0 "[ . 1 . 2]" 1
645 1 33 LYS HB2 1 33 LYS HE2 . . 4.870 2.539 2.408 2.707 . 0 0 "[ . 1 . 2]" 1
646 1 33 LYS HB2 1 33 LYS QE . . 4.060 2.472 2.367 2.613 . 0 0 "[ . 1 . 2]" 1
647 1 33 LYS HB2 1 33 LYS HE3 . . 4.870 3.425 3.223 3.608 . 0 0 "[ . 1 . 2]" 1
648 1 33 LYS HB2 1 34 TYR H . . 3.220 2.933 2.882 3.022 . 0 0 "[ . 1 . 2]" 1
649 1 33 LYS HB3 1 33 LYS HD2 . . 3.990 3.926 3.888 3.952 . 0 0 "[ . 1 . 2]" 1
650 1 33 LYS HB3 1 33 LYS QE . . 4.000 2.476 2.368 2.570 . 0 0 "[ . 1 . 2]" 1
651 1 33 LYS HB3 1 34 TYR H . . 4.100 3.932 3.907 3.976 . 0 0 "[ . 1 . 2]" 1
652 1 33 LYS HD2 1 33 LYS HG2 . . 2.760 2.481 2.460 2.520 . 0 0 "[ . 1 . 2]" 1
653 1 33 LYS HD3 1 34 TYR H . . 4.910 4.698 4.630 4.815 . 0 0 "[ . 1 . 2]" 1
654 1 33 LYS QE 1 33 LYS HG2 . . 3.410 2.285 2.203 2.352 . 0 0 "[ . 1 . 2]" 1
655 1 33 LYS HE2 1 33 LYS HG2 . . 3.970 3.222 3.046 3.375 . 0 0 "[ . 1 . 2]" 1
656 1 33 LYS HE3 1 33 LYS HG2 . . 3.970 2.341 2.241 2.447 . 0 0 "[ . 1 . 2]" 1
657 1 33 LYS HG3 1 34 TYR H . . 5.190 4.393 4.356 4.442 . 0 0 "[ . 1 . 2]" 1
658 1 34 TYR H 1 34 TYR HB2 . . 2.890 2.293 2.255 2.325 . 0 0 "[ . 1 . 2]" 1
659 1 34 TYR H 1 34 TYR HB3 . . 3.660 3.549 3.534 3.560 . 0 0 "[ . 1 . 2]" 1
660 1 34 TYR H 1 34 TYR QD . . 3.350 3.204 3.102 3.272 . 0 0 "[ . 1 . 2]" 1
661 1 34 TYR H 1 35 GLU H . . 4.600 4.527 4.516 4.549 . 0 0 "[ . 1 . 2]" 1
662 1 34 TYR HA 1 34 TYR QD . . 3.050 2.171 2.080 2.314 . 0 0 "[ . 1 . 2]" 1
663 1 34 TYR HA 1 34 TYR QE . . 4.310 4.255 4.223 4.297 . 0 0 "[ . 1 . 2]" 1
664 1 34 TYR HA 1 35 GLU H . . 2.730 2.145 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
665 1 34 TYR HB2 1 35 GLU H . . 4.510 4.378 4.324 4.402 . 0 0 "[ . 1 . 2]" 1
666 1 34 TYR HB2 1 36 LEU H . . 5.500 5.465 5.402 5.503 0.003 11 0 "[ . 1 . 2]" 1
667 1 34 TYR HB3 1 35 GLU H . . 3.420 3.401 3.315 3.425 0.005 4 0 "[ . 1 . 2]" 1
668 1 34 TYR HB3 1 36 LEU H . . 4.860 4.806 4.628 4.862 0.002 7 0 "[ . 1 . 2]" 1
669 1 34 TYR HB3 1 36 LEU QB . . 5.500 4.965 4.049 5.485 . 0 0 "[ . 1 . 2]" 1
670 1 34 TYR HB3 1 36 LEU MD1 . . 5.500 3.574 2.072 5.190 . 0 0 "[ . 1 . 2]" 1
671 1 34 TYR HB3 1 36 LEU MD2 . . 5.500 3.809 2.089 5.303 . 0 0 "[ . 1 . 2]" 1
672 1 34 TYR HB3 1 36 LEU HG . . 5.500 3.660 2.729 4.799 . 0 0 "[ . 1 . 2]" 1
673 1 34 TYR QD 1 35 GLU H . . 3.830 3.376 3.290 3.439 . 0 0 "[ . 1 . 2]" 1
674 1 34 TYR QD 1 36 LEU QD . . 5.440 4.137 3.099 4.918 . 0 0 "[ . 1 . 2]" 1
675 1 35 GLU H 1 35 GLU HB2 . . 3.570 2.230 2.185 2.303 . 0 0 "[ . 1 . 2]" 1
676 1 35 GLU H 1 35 GLU QB . . 2.910 2.206 2.160 2.274 . 0 0 "[ . 1 . 2]" 1
677 1 35 GLU H 1 35 GLU HB3 . . 3.570 3.491 3.400 3.549 . 0 0 "[ . 1 . 2]" 1
678 1 35 GLU H 1 35 GLU QG . . 3.500 3.082 2.776 3.391 . 0 0 "[ . 1 . 2]" 1
679 1 35 GLU H 1 36 LEU H . . 4.340 4.290 4.188 4.316 . 0 0 "[ . 1 . 2]" 1
680 1 35 GLU HA 1 35 GLU QG . . 3.610 2.199 2.140 2.290 . 0 0 "[ . 1 . 2]" 1
681 1 35 GLU HA 1 36 LEU H . . 2.790 2.161 2.154 2.166 . 0 0 "[ . 1 . 2]" 1
682 1 35 GLU HA 1 36 LEU QB . . 5.070 4.386 4.220 4.667 . 0 0 "[ . 1 . 2]" 1
683 1 35 GLU HA 1 36 LEU HG . . 5.500 4.583 3.706 5.491 . 0 0 "[ . 1 . 2]" 1
684 1 35 GLU QB 1 36 LEU H . . 3.790 3.619 3.569 3.648 . 0 0 "[ . 1 . 2]" 1
685 1 35 GLU QG 1 36 LEU H . . 4.140 4.051 3.937 4.140 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU H 1 36 LEU QB . . 3.750 2.488 2.195 3.329 . 0 0 "[ . 1 . 2]" 1
687 1 36 LEU H 1 36 LEU MD1 . . 5.500 3.338 2.354 4.261 . 0 0 "[ . 1 . 2]" 1
688 1 36 LEU H 1 36 LEU QD . . 4.790 3.058 2.343 3.785 . 0 0 "[ . 1 . 2]" 1
689 1 36 LEU H 1 36 LEU MD2 . . 5.500 3.992 3.202 4.492 . 0 0 "[ . 1 . 2]" 1
690 1 36 LEU H 1 36 LEU HG . . 4.590 3.149 2.198 4.206 . 0 0 "[ . 1 . 2]" 1
691 1 36 LEU HA 1 36 LEU MD1 . . 4.650 3.611 2.995 3.960 . 0 0 "[ . 1 . 2]" 1
692 1 36 LEU HA 1 36 LEU QD . . 3.810 2.547 1.971 3.430 . 0 0 "[ . 1 . 2]" 1
693 1 36 LEU HA 1 36 LEU MD2 . . 4.650 2.830 1.977 4.070 . 0 0 "[ . 1 . 2]" 1
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