NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
468384 |
1a3p   |
4201 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a3p
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 879
_Distance_constraint_stats_list.Viol_count 1165
_Distance_constraint_stats_list.Viol_total 1652.931
_Distance_constraint_stats_list.Viol_max 0.836
_Distance_constraint_stats_list.Viol_rms 0.0337
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0709
_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 PRO 0.163 0.028 3 0 "[ . 1 . 2]"
1 2 GLY 0.163 0.028 3 0 "[ . 1 . 2]"
1 3 ABA 0.225 0.058 17 0 "[ . 1 . 2]"
1 4 PRO 4.830 0.657 16 4 "[ . - * .+* 2]"
1 5 SER 0.215 0.037 15 0 "[ . 1 . 2]"
1 6 SER 1.010 0.057 20 0 "[ . 1 . 2]"
1 7 TYR 3.131 0.118 9 0 "[ . 1 . 2]"
1 8 ASP 1.390 0.112 2 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 3.214 0.405 10 0 "[ . 1 . 2]"
1 11 CYS 0.816 0.102 17 0 "[ . 1 . 2]"
1 12 LEU 0.850 0.054 4 0 "[ . 1 . 2]"
1 13 ASN 14.218 0.680 5 20 [****+*********-*****]
1 14 GLY 7.983 0.372 8 0 "[ . 1 . 2]"
1 15 GLY 0.900 0.083 4 0 "[ . 1 . 2]"
1 16 VAL 1.703 0.264 17 0 "[ . 1 . 2]"
1 17 ABA 10.985 0.836 10 5 "[ * * + .*- 2]"
1 18 MET 2.421 0.157 10 0 "[ . 1 . 2]"
1 19 HIS 0.955 0.065 12 0 "[ . 1 . 2]"
1 20 ILE 4.985 0.107 17 0 "[ . 1 . 2]"
1 21 GLU 2.781 0.107 17 0 "[ . 1 . 2]"
1 22 SER 3.222 0.097 12 0 "[ . 1 . 2]"
1 23 LEU 3.992 0.107 9 0 "[ . 1 . 2]"
1 24 ASP 2.011 0.097 12 0 "[ . 1 . 2]"
1 25 SER 6.302 0.166 4 0 "[ . 1 . 2]"
1 26 TYR 14.606 0.836 10 6 "[ * * + * .** 2]"
1 27 THR 1.332 0.115 5 0 "[ . 1 . 2]"
1 28 CYS 0.075 0.027 10 0 "[ . 1 . 2]"
1 29 ASN 1.211 0.108 8 0 "[ . 1 . 2]"
1 30 CYS 3.598 0.121 17 0 "[ . 1 . 2]"
1 31 VAL 3.850 0.108 8 0 "[ . 1 . 2]"
1 32 ILE 2.141 0.085 16 0 "[ . 1 . 2]"
1 33 GLY 0.634 0.045 17 0 "[ . 1 . 2]"
1 34 TYR 6.802 0.129 2 0 "[ . 1 . 2]"
1 35 SER 1.007 0.075 4 0 "[ . 1 . 2]"
1 36 GLY 0.013 0.009 5 0 "[ . 1 . 2]"
1 37 ASP 0.237 0.045 2 0 "[ . 1 . 2]"
1 38 ARG 4.935 0.130 5 0 "[ . 1 . 2]"
1 39 CYS 21.321 0.680 5 20 [****+*********-*****]
1 40 GLN 0.192 0.045 2 0 "[ . 1 . 2]"
1 41 THR 2.461 0.118 4 0 "[ . 1 . 2]"
1 42 ARG 3.411 0.135 16 0 "[ . 1 . 2]"
1 43 ASP 2.065 0.129 2 0 "[ . 1 . 2]"
1 44 LEU 0.206 0.134 3 0 "[ . 1 . 2]"
1 45 ARG 0.833 0.134 3 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 1 PRO HA 1 25 SER HB3 3.500 3.500 1003.500 5.999 5.003 6.601 . 0 0 "[ . 1 . 2]" 1
2 1 1 PRO QB 1 2 GLY QA 0.000 . 6.050 4.012 3.757 4.263 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO QB 1 25 SER HB3 2.620 2.620 1002.620 5.198 3.684 6.114 . 0 0 "[ . 1 . 2]" 1
4 1 1 PRO HB2 1 2 GLY H 3.500 3.500 1003.500 3.966 3.474 4.436 0.026 20 0 "[ . 1 . 2]" 1
5 1 1 PRO HB3 1 2 GLY H 3.500 3.500 1003.500 4.216 3.472 4.728 0.028 3 0 "[ . 1 . 2]" 1
6 1 1 PRO QG 1 2 GLY QA 0.000 . 6.580 4.795 3.573 5.306 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLY H 1 22 SER HA 3.500 3.500 1003.500 13.285 12.509 13.867 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLY H 1 22 SER QB 2.620 2.620 1002.620 12.541 12.246 12.873 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLY QA 1 3 ABA H 0.000 . 3.220 2.268 2.141 2.384 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLY QA 1 19 HIS HD1 0.000 . 7.780 6.587 6.329 6.840 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLY QA 1 27 THR HB 0.000 . 7.980 6.672 5.273 7.167 . 0 0 "[ . 1 . 2]" 1
12 1 3 ABA H 1 3 ABA HB2 0.000 . 3.860 2.511 2.396 2.656 . 0 0 "[ . 1 . 2]" 1
13 1 3 ABA H 1 5 SER H 0.000 . 6.400 4.985 4.822 5.262 . 0 0 "[ . 1 . 2]" 1
14 1 3 ABA H 1 21 GLU QB 2.620 2.620 1002.620 7.984 7.698 8.464 . 0 0 "[ . 1 . 2]" 1
15 1 3 ABA H 1 25 SER HA 0.000 . 5.000 4.640 4.300 5.058 0.058 17 0 "[ . 1 . 2]" 1
16 1 3 ABA H 1 26 TYR HB2 3.500 3.500 1003.500 5.727 5.314 6.009 . 0 0 "[ . 1 . 2]" 1
17 1 3 ABA HA 1 4 PRO HD2 0.000 . 3.300 3.012 2.902 3.164 . 0 0 "[ . 1 . 2]" 1
18 1 3 ABA HA 1 4 PRO QD 0.000 . 2.980 2.770 2.728 2.817 . 0 0 "[ . 1 . 2]" 1
19 1 3 ABA HA 1 4 PRO HD3 0.000 . 3.300 3.250 3.073 3.333 0.033 7 0 "[ . 1 . 2]" 1
20 1 3 ABA HA 1 19 HIS QB 2.620 2.620 1002.620 9.933 9.555 10.393 . 0 0 "[ . 1 . 2]" 1
21 1 3 ABA HA 1 20 ILE HA 3.500 3.500 1003.500 12.195 12.045 12.439 . 0 0 "[ . 1 . 2]" 1
22 1 3 ABA HA 1 21 GLU H 3.500 3.500 1003.500 10.369 10.094 10.664 . 0 0 "[ . 1 . 2]" 1
23 1 3 ABA HA 1 21 GLU QB 2.620 2.620 1002.620 10.123 9.839 10.506 . 0 0 "[ . 1 . 2]" 1
24 1 3 ABA HA 1 25 SER HB2 3.500 3.500 1003.500 5.071 4.787 5.313 . 0 0 "[ . 1 . 2]" 1
25 1 3 ABA HA 1 26 TYR HB2 3.500 3.500 1003.500 7.118 6.861 7.345 . 0 0 "[ . 1 . 2]" 1
26 1 3 ABA HA 1 26 TYR QD 0.000 . 8.100 5.007 4.618 5.380 . 0 0 "[ . 1 . 2]" 1
27 1 3 ABA HB2 1 5 SER QB . 2.470 6.670 5.073 4.818 5.301 . 0 0 "[ . 1 . 2]" 1
28 1 3 ABA HB2 1 7 TYR QD 0.000 . 10.980 6.540 5.885 7.116 . 0 0 "[ . 1 . 2]" 1
29 1 3 ABA HB2 1 21 GLU QB 1.750 . 1001.750 8.995 8.726 9.313 . 0 0 "[ . 1 . 2]" 1
30 1 3 ABA HB2 1 26 TYR H 2.620 2.620 1002.620 4.152 3.807 4.599 . 0 0 "[ . 1 . 2]" 1
31 1 3 ABA HB2 1 26 TYR HB3 2.620 2.620 1002.620 4.280 3.897 4.604 . 0 0 "[ . 1 . 2]" 1
32 1 3 ABA HB2 1 27 THR HB 0.000 . 6.680 5.975 5.837 6.028 . 0 0 "[ . 1 . 2]" 1
33 1 3 ABA HB2 1 5 SER HB2 . . 7.850 6.073 5.383 6.784 . 0 0 "[ . 1 . 2]" 1
34 1 3 ABA HB2 1 5 SER HB3 . . 7.850 6.492 5.578 7.555 . 0 0 "[ . 1 . 2]" 1
35 1 3 ABA HB3 1 5 SER HB2 . . 7.850 6.628 5.729 7.617 . 0 0 "[ . 1 . 2]" 1
36 1 3 ABA HB3 1 5 SER HB3 . . 7.850 7.189 6.239 7.877 0.027 9 0 "[ . 1 . 2]" 1
37 1 3 ABA HG1 1 5 SER H 0.000 . 8.600 5.452 3.650 7.093 . 0 0 "[ . 1 . 2]" 1
38 1 3 ABA HG1 1 5 SER QB 0.000 . 8.380 5.046 3.985 6.447 . 0 0 "[ . 1 . 2]" 1
39 1 3 ABA HG1 1 26 TYR QE 0.000 . 11.000 6.193 5.002 6.979 . 0 0 "[ . 1 . 2]" 1
40 1 4 PRO HA 1 7 TYR QB 2.620 2.620 1002.620 4.430 4.216 4.846 . 0 0 "[ . 1 . 2]" 1
41 1 4 PRO HA 1 26 TYR HB2 0.000 . 5.500 3.185 2.814 3.629 . 0 0 "[ . 1 . 2]" 1
42 1 4 PRO QB 1 5 SER H 0.000 . 4.310 3.315 2.533 3.917 . 0 0 "[ . 1 . 2]" 1
43 1 4 PRO QB 1 6 SER H . 2.620 5.580 4.967 4.756 5.044 . 0 0 "[ . 1 . 2]" 1
44 1 4 PRO QB 1 6 SER QB 1.750 . 1001.750 6.885 6.564 7.254 . 0 0 "[ . 1 . 2]" 1
45 1 4 PRO QB 1 7 TYR H 2.620 2.620 1002.620 6.986 6.547 7.424 . 0 0 "[ . 1 . 2]" 1
46 1 4 PRO QB 1 7 TYR HA 2.620 2.620 1002.620 6.951 6.689 7.190 . 0 0 "[ . 1 . 2]" 1
47 1 4 PRO QB 1 7 TYR QB 1.750 . 1001.750 5.535 5.215 5.941 . 0 0 "[ . 1 . 2]" 1
48 1 4 PRO QB 1 7 TYR QD 0.000 . 10.580 4.728 4.403 5.068 . 0 0 "[ . 1 . 2]" 1
49 1 4 PRO QB 1 10 TYR QE 0.000 . 8.660 6.487 6.211 6.695 . 0 0 "[ . 1 . 2]" 1
50 1 4 PRO QB 1 19 HIS QB 1.750 . 1001.750 5.045 4.468 5.547 . 0 0 "[ . 1 . 2]" 1
51 1 4 PRO QB 1 25 SER HB3 0.000 . 7.180 5.751 4.797 6.405 . 0 0 "[ . 1 . 2]" 1
52 1 4 PRO QB 1 26 TYR HB3 2.620 2.620 1002.620 2.500 1.963 2.968 0.657 16 4 "[ . - * .+* 2]" 1
53 1 4 PRO HB2 1 5 SER H 0.000 . 4.500 3.511 2.572 4.300 . 0 0 "[ . 1 . 2]" 1
54 1 4 PRO HB2 1 10 TYR QE 0.000 . 8.900 7.721 7.339 8.077 . 0 0 "[ . 1 . 2]" 1
55 1 4 PRO HB3 1 5 SER H 0.000 . 4.500 4.241 3.804 4.537 0.037 15 0 "[ . 1 . 2]" 1
56 1 4 PRO HB3 1 10 TYR QE 0.000 . 8.900 6.989 6.626 7.303 . 0 0 "[ . 1 . 2]" 1
57 1 4 PRO QD 1 5 SER QB 0.000 . 5.150 3.644 3.377 3.926 . 0 0 "[ . 1 . 2]" 1
58 1 4 PRO QD 1 7 TYR QD 0.000 . 9.380 6.600 6.422 6.728 . 0 0 "[ . 1 . 2]" 1
59 1 4 PRO QD 1 10 TYR QE 0.000 . 9.170 5.681 5.482 5.923 . 0 0 "[ . 1 . 2]" 1
60 1 4 PRO QD 1 25 SER HB3 0.000 . 8.580 3.603 3.208 3.959 . 0 0 "[ . 1 . 2]" 1
61 1 4 PRO QD 1 26 TYR QE 0.000 . 8.410 6.413 6.118 6.558 . 0 0 "[ . 1 . 2]" 1
62 1 4 PRO HD2 1 10 TYR QE 0.000 . 9.700 6.676 6.451 6.945 . 0 0 "[ . 1 . 2]" 1
63 1 4 PRO HD2 1 26 TYR QE 0.000 . 8.800 7.451 7.235 7.772 . 0 0 "[ . 1 . 2]" 1
64 1 4 PRO HD3 1 10 TYR QE 0.000 . 9.700 6.159 5.900 6.423 . 0 0 "[ . 1 . 2]" 1
65 1 4 PRO HD3 1 26 TYR QE 0.000 . 8.800 7.002 6.600 7.226 . 0 0 "[ . 1 . 2]" 1
66 1 4 PRO QG 1 7 TYR QD 0.000 . 11.000 6.455 6.208 6.649 . 0 0 "[ . 1 . 2]" 1
67 1 4 PRO QG 1 7 TYR QE 0.000 . 10.400 7.194 6.732 7.506 . 0 0 "[ . 1 . 2]" 1
68 1 4 PRO QG 1 10 TYR QE 0.000 . 10.300 6.938 6.414 7.319 . 0 0 "[ . 1 . 2]" 1
69 1 4 PRO QG 1 19 HIS HE1 0.000 . 7.300 3.434 3.133 3.758 . 0 0 "[ . 1 . 2]" 1
70 1 4 PRO QG 1 21 GLU QG 0.000 . 5.500 4.159 3.968 4.390 . 0 0 "[ . 1 . 2]" 1
71 1 4 PRO QG 1 26 TYR HA 0.000 . 7.500 5.190 4.476 5.617 . 0 0 "[ . 1 . 2]" 1
72 1 4 PRO QG 1 26 TYR QD 0.000 . 9.400 4.964 4.441 5.387 . 0 0 "[ . 1 . 2]" 1
73 1 4 PRO QG 1 26 TYR QE 0.000 . 9.700 6.845 6.372 7.090 . 0 0 "[ . 1 . 2]" 1
74 1 5 SER H 1 5 SER HB2 0.000 . 3.900 2.645 2.272 3.058 . 0 0 "[ . 1 . 2]" 1
75 1 5 SER H 1 5 SER QB 0.000 . 3.700 2.459 2.232 2.838 . 0 0 "[ . 1 . 2]" 1
76 1 5 SER H 1 5 SER HB3 0.000 . 3.900 3.126 2.569 3.607 . 0 0 "[ . 1 . 2]" 1
77 1 5 SER H 1 7 TYR QD 0.000 . 10.500 5.371 4.949 5.868 . 0 0 "[ . 1 . 2]" 1
78 1 5 SER HA 1 19 HIS QB 2.620 2.620 1002.620 9.967 9.332 10.823 . 0 0 "[ . 1 . 2]" 1
79 1 5 SER QB 1 19 HIS QB 1.750 . 1001.750 9.994 9.499 10.604 . 0 0 "[ . 1 . 2]" 1
80 1 5 SER QB 1 26 TYR HB2 2.620 2.620 1002.620 7.780 7.526 8.048 . 0 0 "[ . 1 . 2]" 1
81 1 5 SER HB2 1 26 TYR HB3 3.500 3.500 1003.500 7.128 6.777 7.509 . 0 0 "[ . 1 . 2]" 1
82 1 5 SER HB3 1 26 TYR HB3 3.500 3.500 1003.500 7.779 7.181 8.231 . 0 0 "[ . 1 . 2]" 1
83 1 6 SER H 1 6 SER HA 0.000 . 2.900 2.912 2.831 2.943 0.043 6 0 "[ . 1 . 2]" 1
84 1 6 SER H 1 6 SER HB2 0.000 . 3.800 3.356 2.761 3.848 0.048 17 0 "[ . 1 . 2]" 1
85 1 6 SER H 1 6 SER HB3 0.000 . 3.800 3.255 2.767 3.853 0.053 11 0 "[ . 1 . 2]" 1
86 1 6 SER H 1 7 TYR H 0.000 . 4.100 4.117 4.065 4.157 0.057 20 0 "[ . 1 . 2]" 1
87 1 6 SER HA 1 7 TYR QB 0.000 . 5.180 4.561 4.454 4.608 . 0 0 "[ . 1 . 2]" 1
88 1 6 SER QB 1 8 ASP QB 1.750 . 1001.750 4.148 3.525 5.456 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR H 1 7 TYR HA 0.000 . 2.800 2.913 2.908 2.918 0.118 9 0 "[ . 1 . 2]" 1
90 1 7 TYR H 1 7 TYR HB2 0.000 . 3.600 3.617 3.581 3.636 0.036 15 0 "[ . 1 . 2]" 1
91 1 7 TYR H 1 7 TYR HB3 0.000 . 3.600 3.342 3.098 3.545 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR HA 1 10 TYR H 0.000 . 4.300 4.227 3.842 4.326 0.026 11 0 "[ . 1 . 2]" 1
93 1 7 TYR HA 1 10 TYR HB2 0.000 . 4.800 2.171 1.938 2.337 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR HA 1 10 TYR QD 0.000 . 8.400 2.908 2.581 3.215 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR HA 1 10 TYR QE 0.000 . 6.100 4.575 4.256 5.109 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR HA 1 26 TYR QE 0.000 . 9.500 2.152 1.971 3.139 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR QB 1 10 TYR QD 0.000 . 9.880 4.095 3.988 4.237 . 0 0 "[ . 1 . 2]" 1
98 1 7 TYR QB 1 10 TYR QE 0.000 . 6.290 5.082 4.853 5.207 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR QB 1 17 ABA HB2 2.620 2.620 1002.620 5.139 4.770 5.730 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR QB 1 17 ABA HB3 0.000 . 6.680 4.453 4.120 5.257 . 0 0 "[ . 1 . 2]" 1
101 1 7 TYR QB 1 17 ABA HG1 0.000 . 9.280 3.603 2.534 4.280 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR QB 1 26 TYR HB3 2.620 2.620 1002.620 5.042 4.807 5.398 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR QB 1 26 TYR QD 0.000 . 8.180 3.327 3.124 3.611 . 0 0 "[ . 1 . 2]" 1
104 1 7 TYR QB 1 26 TYR QE 0.000 . 7.880 2.341 2.214 2.688 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR HB2 1 10 TYR QE 0.000 . 6.500 6.094 5.868 6.130 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR HB3 1 10 TYR QE 0.000 . 6.500 5.443 5.176 5.649 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR QD 1 8 ASP H 0.000 . 8.400 3.979 3.457 4.323 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR QD 1 10 TYR HB2 0.000 . 7.600 5.153 5.038 5.386 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR QD 1 10 TYR HB3 0.000 . 8.600 5.106 4.821 5.320 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR QD 1 17 ABA HG1 0.000 . 8.200 4.943 4.263 5.672 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR QE 1 9 GLY QA 0.000 . 11.100 8.294 7.990 8.492 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR QE 1 17 ABA HB2 0.000 . 9.000 7.413 7.047 7.954 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR QE 1 17 ABA HB3 0.000 . 9.000 7.488 7.118 8.005 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR QE 1 17 ABA HG1 0.000 . 10.600 6.309 5.582 7.145 . 0 0 "[ . 1 . 2]" 1
115 1 7 TYR QE 1 26 TYR HB2 0.000 . 9.000 6.871 6.441 7.614 . 0 0 "[ . 1 . 2]" 1
116 1 7 TYR QE 1 26 TYR HB3 0.000 . 9.000 7.064 6.738 7.670 . 0 0 "[ . 1 . 2]" 1
117 1 8 ASP H 1 8 ASP HA 0.000 . 2.800 2.867 2.816 2.912 0.112 2 0 "[ . 1 . 2]" 1
118 1 8 ASP H 1 8 ASP HB2 0.000 . 3.600 2.656 2.231 3.610 0.010 4 0 "[ . 1 . 2]" 1
119 1 8 ASP H 1 8 ASP QB 0.000 . 3.390 2.400 2.200 2.987 . 0 0 "[ . 1 . 2]" 1
120 1 8 ASP H 1 8 ASP HB3 0.000 . 3.600 3.122 2.427 3.618 0.018 20 0 "[ . 1 . 2]" 1
121 1 8 ASP HA 1 9 GLY H 0.000 . 3.300 2.206 2.090 2.265 . 0 0 "[ . 1 . 2]" 1
122 1 8 ASP HA 1 10 TYR H 0.000 . 3.900 3.640 3.261 3.901 0.001 5 0 "[ . 1 . 2]" 1
123 1 8 ASP HA 1 17 ABA HB2 3.500 3.500 1003.500 8.882 8.434 9.353 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASP QB 1 9 GLY H 0.000 . 4.210 3.414 3.096 3.872 . 0 0 "[ . 1 . 2]" 1
125 1 8 ASP QB 1 9 GLY QA 0.000 . 6.460 4.078 3.836 4.364 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASP HB2 1 9 GLY H 0.000 . 4.500 4.142 3.180 4.483 . 0 0 "[ . 1 . 2]" 1
127 1 8 ASP HB2 1 9 GLY QA 0.000 . 7.000 4.929 3.975 5.479 . 0 0 "[ . 1 . 2]" 1
128 1 8 ASP HB3 1 9 GLY H 0.000 . 4.500 3.741 3.306 4.282 . 0 0 "[ . 1 . 2]" 1
129 1 8 ASP HB3 1 9 GLY QA 0.000 . 7.000 4.478 4.055 5.487 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLY H 1 10 TYR H 0.000 . 3.100 2.720 1.838 2.971 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLY QA 1 10 TYR HB2 0.000 . 6.100 4.640 4.542 4.869 . 0 0 "[ . 1 . 2]" 1
132 1 9 GLY QA 1 10 TYR QD 0.000 . 9.800 5.654 5.559 5.783 . 0 0 "[ . 1 . 2]" 1
133 1 9 GLY QA 1 12 LEU QD 0.000 . 8.300 5.114 4.795 5.309 . 0 0 "[ . 1 . 2]" 1
134 1 10 TYR H 1 10 TYR HB2 0.000 . 3.400 2.591 2.461 2.840 . 0 0 "[ . 1 . 2]" 1
135 1 10 TYR H 1 10 TYR HB3 0.000 . 3.400 2.528 2.429 2.647 . 0 0 "[ . 1 . 2]" 1
136 1 10 TYR H 1 11 CYS H 0.000 . 2.900 2.324 2.186 2.411 . 0 0 "[ . 1 . 2]" 1
137 1 10 TYR H 1 11 CYS HB2 0.000 . 4.700 4.676 4.533 4.728 0.028 17 0 "[ . 1 . 2]" 1
138 1 10 TYR H 1 17 ABA HG1 0.000 . 8.000 7.511 6.334 8.405 0.405 10 0 "[ . 1 . 2]" 1
139 1 10 TYR HA 1 26 TYR QE 0.000 . 10.500 4.953 4.747 5.123 . 0 0 "[ . 1 . 2]" 1
140 1 10 TYR HA 1 38 ARG HB2 3.500 3.500 1003.500 6.387 5.047 6.782 . 0 0 "[ . 1 . 2]" 1
141 1 10 TYR HA 1 38 ARG HB3 3.500 3.500 1003.500 6.518 5.624 6.788 . 0 0 "[ . 1 . 2]" 1
142 1 10 TYR HA 1 38 ARG HE 0.000 . 4.700 4.495 2.612 4.819 0.119 5 0 "[ . 1 . 2]" 1
143 1 10 TYR HA 1 38 ARG QH1 0.000 . 5.670 3.341 1.825 4.850 . 0 0 "[ . 1 . 2]" 1
144 1 10 TYR HA 1 38 ARG QH2 0.000 . 5.370 3.156 2.182 4.802 . 0 0 "[ . 1 . 2]" 1
145 1 10 TYR HB2 1 11 CYS H 0.000 . 4.500 4.078 3.837 4.249 . 0 0 "[ . 1 . 2]" 1
146 1 10 TYR HB2 1 17 ABA HG1 0.000 . 7.500 6.847 5.691 7.519 0.019 5 0 "[ . 1 . 2]" 1
147 1 10 TYR HB2 1 38 ARG QG 0.000 . 6.380 5.557 4.802 5.724 . 0 0 "[ . 1 . 2]" 1
148 1 10 TYR HB3 1 11 CYS H 0.000 . 3.400 3.158 2.946 3.304 . 0 0 "[ . 1 . 2]" 1
149 1 10 TYR HB3 1 11 CYS HB2 0.000 . 5.100 4.752 4.342 4.983 . 0 0 "[ . 1 . 2]" 1
150 1 10 TYR HB3 1 17 ABA HB2 3.500 3.500 1003.500 6.647 6.622 6.675 . 0 0 "[ . 1 . 2]" 1
151 1 10 TYR HB3 1 17 ABA HB3 0.000 . 6.600 5.116 4.983 5.288 . 0 0 "[ . 1 . 2]" 1
152 1 10 TYR HB3 1 17 ABA HG1 0.000 . 7.100 5.588 4.404 6.406 . 0 0 "[ . 1 . 2]" 1
153 1 10 TYR HB3 1 26 TYR QE 0.000 . 9.800 3.080 2.817 3.468 . 0 0 "[ . 1 . 2]" 1
154 1 10 TYR QD 1 11 CYS H 0.000 . 7.400 3.979 3.716 4.258 . 0 0 "[ . 1 . 2]" 1
155 1 10 TYR QD 1 11 CYS HA 0.000 . 8.800 3.686 3.353 4.015 . 0 0 "[ . 1 . 2]" 1
156 1 10 TYR QD 1 17 ABA HA 0.000 . 10.500 4.980 4.683 5.175 . 0 0 "[ . 1 . 2]" 1
157 1 10 TYR QD 1 17 ABA HB2 0.000 . 8.500 6.662 6.485 6.844 . 0 0 "[ . 1 . 2]" 1
158 1 10 TYR QD 1 17 ABA HB3 0.000 . 9.700 5.123 4.918 5.404 . 0 0 "[ . 1 . 2]" 1
159 1 10 TYR QD 1 17 ABA HG1 0.000 . 7.400 5.631 4.852 6.621 . 0 0 "[ . 1 . 2]" 1
160 1 10 TYR QD 1 26 TYR HB2 0.000 . 9.500 6.800 6.634 7.034 . 0 0 "[ . 1 . 2]" 1
161 1 10 TYR QD 1 26 TYR HB3 0.000 . 8.900 6.100 5.924 6.335 . 0 0 "[ . 1 . 2]" 1
162 1 10 TYR QD 1 38 ARG HA 0.000 . 9.700 4.563 3.682 4.838 . 0 0 "[ . 1 . 2]" 1
163 1 10 TYR QD 1 38 ARG QB 0.000 . 11.480 5.465 5.151 5.752 . 0 0 "[ . 1 . 2]" 1
164 1 10 TYR QD 1 38 ARG HG2 0.000 . 9.100 3.771 3.534 4.203 . 0 0 "[ . 1 . 2]" 1
165 1 10 TYR QD 1 38 ARG QG 0.000 . 8.760 3.645 3.420 4.073 . 0 0 "[ . 1 . 2]" 1
166 1 10 TYR QD 1 38 ARG HG3 0.000 . 9.100 4.854 4.380 5.594 . 0 0 "[ . 1 . 2]" 1
167 1 10 TYR QE 1 11 CYS HB2 0.000 . 8.100 6.788 6.337 6.992 . 0 0 "[ . 1 . 2]" 1
168 1 10 TYR QE 1 11 CYS HB3 0.000 . 8.100 6.226 5.461 6.673 . 0 0 "[ . 1 . 2]" 1
169 1 10 TYR QE 1 17 ABA HB3 0.000 . 9.400 6.436 5.968 6.885 . 0 0 "[ . 1 . 2]" 1
170 1 10 TYR QE 1 17 ABA HG1 0.000 . 7.600 6.406 5.891 7.471 . 0 0 "[ . 1 . 2]" 1
171 1 10 TYR QE 1 26 TYR HA 0.000 . 10.000 5.806 5.659 6.126 . 0 0 "[ . 1 . 2]" 1
172 1 10 TYR QE 1 26 TYR HB2 0.000 . 8.000 6.083 5.958 6.340 . 0 0 "[ . 1 . 2]" 1
173 1 10 TYR QE 1 26 TYR HB3 0.000 . 11.000 5.152 4.993 5.391 . 0 0 "[ . 1 . 2]" 1
174 1 10 TYR QE 1 27 THR HA 0.000 . 7.100 2.117 1.905 2.413 . 0 0 "[ . 1 . 2]" 1
175 1 10 TYR QE 1 27 THR MG 0.000 . 7.700 4.492 3.909 4.712 . 0 0 "[ . 1 . 2]" 1
176 1 10 TYR QE 1 38 ARG QG 0.000 . 7.980 3.999 3.596 4.726 . 0 0 "[ . 1 . 2]" 1
177 1 11 CYS CB 1 28 CYS SG . 3.000 3.100 3.073 3.037 3.103 0.003 10 0 "[ . 1 . 2]" 1
178 1 11 CYS H 1 11 CYS HB2 0.000 . 3.400 2.710 2.608 2.870 . 0 0 "[ . 1 . 2]" 1
179 1 11 CYS H 1 11 CYS HB3 0.000 . 3.800 3.738 3.676 3.814 0.014 4 0 "[ . 1 . 2]" 1
180 1 11 CYS H 1 12 LEU H 0.000 . 4.800 4.433 4.325 4.498 . 0 0 "[ . 1 . 2]" 1
181 1 11 CYS H 1 15 GLY QA 0.000 . 6.200 5.036 4.878 5.299 . 0 0 "[ . 1 . 2]" 1
182 1 11 CYS H 1 28 CYS QB 2.620 2.620 1002.620 5.135 4.875 5.255 . 0 0 "[ . 1 . 2]" 1
183 1 11 CYS H 1 38 ARG QB 2.620 2.620 1002.620 6.279 5.881 6.421 . 0 0 "[ . 1 . 2]" 1
184 1 11 CYS HA 1 12 LEU H 0.000 . 2.900 2.316 2.131 2.397 . 0 0 "[ . 1 . 2]" 1
185 1 11 CYS HA 1 12 LEU QD 0.000 . 6.400 4.147 3.515 4.549 . 0 0 "[ . 1 . 2]" 1
186 1 11 CYS HA 1 26 TYR QE 0.000 . 8.200 6.275 6.034 6.610 . 0 0 "[ . 1 . 2]" 1
187 1 11 CYS HA 1 28 CYS HA 0.000 . 6.800 6.245 5.953 6.628 . 0 0 "[ . 1 . 2]" 1
188 1 11 CYS HA 1 38 ARG HA 0.000 . 3.500 2.970 2.343 3.250 . 0 0 "[ . 1 . 2]" 1
189 1 11 CYS HA 1 38 ARG QB 0.000 . 5.680 4.208 3.934 4.434 . 0 0 "[ . 1 . 2]" 1
190 1 11 CYS HA 1 38 ARG HE 0.000 . 6.900 4.853 3.580 5.439 . 0 0 "[ . 1 . 2]" 1
191 1 11 CYS HA 1 38 ARG QG 0.000 . 5.880 2.782 2.109 3.506 . 0 0 "[ . 1 . 2]" 1
192 1 11 CYS HB2 1 12 LEU H 0.000 . 3.900 3.727 3.377 3.914 0.014 6 0 "[ . 1 . 2]" 1
193 1 11 CYS HB2 1 12 LEU HA 0.000 . 5.200 4.797 4.659 5.015 . 0 0 "[ . 1 . 2]" 1
194 1 11 CYS HB2 1 15 GLY H 0.000 . 4.700 4.686 4.394 4.749 0.049 15 0 "[ . 1 . 2]" 1
195 1 11 CYS HB2 1 15 GLY HA2 0.000 . 5.000 3.966 3.362 5.054 0.054 10 0 "[ . 1 . 2]" 1
196 1 11 CYS HB2 1 15 GLY QA 0.000 . 4.270 2.783 2.425 3.385 . 0 0 "[ . 1 . 2]" 1
197 1 11 CYS HB2 1 15 GLY HA3 0.000 . 5.000 2.845 2.488 3.439 . 0 0 "[ . 1 . 2]" 1
198 1 11 CYS HB2 1 16 VAL H 0.000 . 6.100 5.940 5.657 6.202 0.102 17 0 "[ . 1 . 2]" 1
199 1 11 CYS HB2 1 38 ARG QD 0.000 . 5.380 4.521 4.370 4.741 . 0 0 "[ . 1 . 2]" 1
200 1 11 CYS HB3 1 13 ASN H 3.500 3.500 1003.500 3.810 3.620 4.521 . 0 0 "[ . 1 . 2]" 1
201 1 11 CYS HB3 1 15 GLY H 0.000 . 4.200 3.492 3.327 3.753 . 0 0 "[ . 1 . 2]" 1
202 1 11 CYS HB3 1 15 GLY HA2 0.000 . 4.400 2.518 2.030 3.459 . 0 0 "[ . 1 . 2]" 1
203 1 11 CYS HB3 1 15 GLY QA 0.000 . 3.830 1.874 1.769 2.038 . 0 0 "[ . 1 . 2]" 1
204 1 11 CYS HB3 1 15 GLY HA3 0.000 . 4.400 1.989 1.775 2.234 . 0 0 "[ . 1 . 2]" 1
205 1 11 CYS HB3 1 28 CYS HA 0.000 . 5.600 5.343 5.155 5.482 . 0 0 "[ . 1 . 2]" 1
206 1 11 CYS HB3 1 28 CYS QB 0.000 . 4.580 3.062 2.827 3.471 . 0 0 "[ . 1 . 2]" 1
207 1 11 CYS HB3 1 39 CYS QB 0.000 . 7.580 4.781 4.542 5.011 . 0 0 "[ . 1 . 2]" 1
208 1 11 CYS SG 1 28 CYS CB . 3.000 3.100 3.092 3.065 3.127 0.027 10 0 "[ . 1 . 2]" 1
209 1 11 CYS SG 1 28 CYS SG . . 2.100 2.021 2.017 2.023 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU H 1 12 LEU QB 0.000 . 3.760 2.290 2.236 2.411 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU H 1 13 ASN H 0.000 . 4.400 2.225 2.121 2.727 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU H 1 15 GLY H 3.500 3.500 1003.500 4.063 3.604 4.689 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU H 1 15 GLY QA 2.620 2.620 1002.620 3.710 3.407 4.071 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU H 1 30 CYS QB 2.620 2.620 1002.620 5.505 5.360 5.668 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU H 1 38 ARG HA 0.000 . 4.200 3.747 3.447 3.893 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU H 1 38 ARG HB2 0.000 . 5.600 5.536 5.334 5.652 0.052 17 0 "[ . 1 . 2]" 1
217 1 12 LEU H 1 38 ARG QB 0.000 . 5.090 4.292 4.074 4.491 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU H 1 38 ARG HB3 0.000 . 5.600 4.472 4.215 4.726 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU H 1 39 CYS HB2 0.000 . 5.400 2.972 2.744 3.121 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU H 1 39 CYS QB 0.000 . 4.670 2.928 2.713 3.065 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU H 1 39 CYS HB3 0.000 . 5.400 4.415 4.279 4.523 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU HA 1 13 ASN H 0.000 . 3.400 3.432 3.417 3.454 0.054 4 0 "[ . 1 . 2]" 1
223 1 12 LEU QB 1 13 ASN QD 0.000 . 5.240 1.960 1.738 2.272 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU QB 1 38 ARG HA 0.000 . 6.780 4.468 4.043 4.858 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU QB 1 38 ARG QB 0.000 . 6.150 3.561 3.274 4.352 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU QB 1 38 ARG HE 0.000 . 6.580 4.472 4.008 5.662 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU QB 1 39 CYS QB 0.000 . 5.730 2.351 2.095 2.599 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU QB 1 40 GLN HA 0.000 . 3.910 2.899 2.650 3.253 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU QB 1 40 GLN QB 0.000 . 9.650 3.518 3.157 4.014 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU HB2 1 13 ASN H 0.000 . 3.500 3.146 2.545 3.345 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU HB2 1 13 ASN HD21 0.000 . 6.230 3.609 2.873 4.660 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU HB2 1 13 ASN HD22 0.000 . 6.230 4.733 3.691 5.438 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU HB2 1 39 CYS HB2 0.000 . 7.150 2.816 2.204 3.095 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU HB2 1 39 CYS HB3 0.000 . 7.150 4.473 3.905 4.748 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HB2 1 40 GLN HA 0.000 . 4.200 3.184 2.873 3.657 . 0 0 "[ . 1 . 2]" 1
236 1 12 LEU HB3 1 13 ASN H 0.000 . 3.500 2.872 2.157 3.213 . 0 0 "[ . 1 . 2]" 1
237 1 12 LEU HB3 1 13 ASN HD21 0.000 . 6.230 2.036 1.768 2.968 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU HB3 1 13 ASN HD22 0.000 . 6.230 3.058 2.264 3.717 . 0 0 "[ . 1 . 2]" 1
239 1 12 LEU HB3 1 39 CYS HB2 0.000 . 7.150 2.623 2.211 3.009 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU HB3 1 39 CYS HB3 0.000 . 7.150 4.216 3.716 4.619 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU HB3 1 40 GLN HA 0.000 . 4.200 3.365 3.069 3.960 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU QD 1 13 ASN H 0.000 . 5.400 4.070 3.663 4.135 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU QD 1 13 ASN HD21 0.000 . 5.500 2.811 2.380 3.377 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU QD 1 13 ASN HD22 0.000 . 5.500 2.892 1.760 3.654 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU QD 1 34 TYR QB 0.000 . 8.480 4.755 4.363 4.922 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU QD 1 34 TYR QD 0.000 . 9.500 5.570 5.191 5.760 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU QD 1 38 ARG HA 0.000 . 6.900 4.567 4.161 4.856 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU QD 1 38 ARG QB 0.000 . 7.680 2.850 2.474 3.171 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU QD 1 38 ARG HD2 0.000 . 5.700 1.940 1.815 2.067 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU QD 1 38 ARG QD 0.000 . 5.290 1.904 1.787 2.034 . 0 0 "[ . 1 . 2]" 1
251 1 12 LEU QD 1 38 ARG HD3 0.000 . 5.700 2.812 2.359 3.288 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU QD 1 38 ARG HE 0.000 . 5.900 2.479 1.756 3.606 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU QD 1 38 ARG QH2 0.000 . 6.170 3.335 1.746 4.475 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU QD 1 39 CYS QB 0.000 . 8.780 3.567 3.311 3.847 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU QD 1 40 GLN H 0.000 . 6.400 3.523 3.098 3.808 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU QD 1 40 GLN HA 0.000 . 5.300 1.853 1.770 2.027 . 0 0 "[ . 1 . 2]" 1
257 1 12 LEU QD 1 40 GLN QB 0.000 . 6.780 2.116 1.924 2.456 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU QD 1 40 GLN QE 0.000 . 7.470 4.696 4.426 4.925 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU QD 1 40 GLN HG2 0.000 . 6.000 4.129 3.696 4.342 . 0 0 "[ . 1 . 2]" 1
260 1 12 LEU QD 1 40 GLN QG 0.000 . 5.590 3.648 3.264 3.813 . 0 0 "[ . 1 . 2]" 1
261 1 12 LEU QD 1 40 GLN HG3 0.000 . 6.000 4.082 3.583 4.357 . 0 0 "[ . 1 . 2]" 1
262 1 13 ASN H 1 13 ASN HA 0.000 . 2.900 2.947 2.938 2.954 0.054 19 0 "[ . 1 . 2]" 1
263 1 13 ASN H 1 13 ASN HD22 0.000 . 6.800 4.563 3.358 4.935 . 0 0 "[ . 1 . 2]" 1
264 1 13 ASN H 1 14 GLY H 0.000 . 3.300 3.001 2.541 3.304 0.004 8 0 "[ . 1 . 2]" 1
265 1 13 ASN H 1 15 GLY H 0.000 . 5.500 2.931 2.637 3.857 . 0 0 "[ . 1 . 2]" 1
266 1 13 ASN H 1 39 CYS QB . 2.620 8.480 1.997 1.940 2.048 0.680 5 20 [****+*********-*****] 1
267 1 13 ASN HA 1 13 ASN HD21 0.000 . 4.400 3.571 2.840 3.980 . 0 0 "[ . 1 . 2]" 1
268 1 13 ASN HA 1 13 ASN QD 0.000 . 4.110 3.347 2.757 3.687 . 0 0 "[ . 1 . 2]" 1
269 1 13 ASN HA 1 13 ASN HD22 0.000 . 4.400 4.073 3.727 4.540 0.140 4 0 "[ . 1 . 2]" 1
270 1 13 ASN HA 1 34 TYR QD 0.000 . 9.300 4.520 4.346 4.809 . 0 0 "[ . 1 . 2]" 1
271 1 13 ASN HA 1 34 TYR QE 0.000 . 8.400 4.583 4.349 5.016 . 0 0 "[ . 1 . 2]" 1
272 1 13 ASN QB 1 14 GLY QA 0.000 . 5.000 3.437 3.299 3.545 . 0 0 "[ . 1 . 2]" 1
273 1 13 ASN QB 1 15 GLY H 0.000 . 6.780 3.824 3.584 4.266 . 0 0 "[ . 1 . 2]" 1
274 1 13 ASN QB 1 31 VAL HB 2.620 2.620 1002.620 5.162 4.665 5.665 . 0 0 "[ . 1 . 2]" 1
275 1 13 ASN QB 1 34 TYR HA 0.000 . 7.580 5.318 4.995 6.643 . 0 0 "[ . 1 . 2]" 1
276 1 13 ASN QB 1 34 TYR QB 0.000 . 7.150 3.017 2.726 4.181 . 0 0 "[ . 1 . 2]" 1
277 1 13 ASN QB 1 34 TYR QD 0.000 . 6.380 2.077 1.795 2.521 . 0 0 "[ . 1 . 2]" 1
278 1 13 ASN QB 1 34 TYR QE 0.000 . 6.080 2.282 2.102 2.484 . 0 0 "[ . 1 . 2]" 1
279 1 13 ASN QB 1 39 CYS QB 0.000 . 5.560 2.269 1.948 3.877 . 0 0 "[ . 1 . 2]" 1
280 1 13 ASN HB2 1 14 GLY HA2 0.000 . 5.950 4.675 3.982 4.972 . 0 0 "[ . 1 . 2]" 1
281 1 13 ASN HB2 1 14 GLY HA3 0.000 . 5.950 4.449 4.170 4.692 . 0 0 "[ . 1 . 2]" 1
282 1 13 ASN HB2 1 34 TYR QD 0.000 . 7.100 2.310 2.002 2.637 . 0 0 "[ . 1 . 2]" 1
283 1 13 ASN HB2 1 39 CYS HB2 0.000 . 6.750 2.582 2.129 4.665 . 0 0 "[ . 1 . 2]" 1
284 1 13 ASN HB2 1 39 CYS HB3 0.000 . 6.750 2.597 2.237 4.544 . 0 0 "[ . 1 . 2]" 1
285 1 13 ASN HB3 1 14 GLY HA2 0.000 . 5.950 4.114 3.756 5.423 . 0 0 "[ . 1 . 2]" 1
286 1 13 ASN HB3 1 14 GLY HA3 0.000 . 5.950 4.446 3.847 5.776 . 0 0 "[ . 1 . 2]" 1
287 1 13 ASN HB3 1 34 TYR QD 0.000 . 7.100 2.520 1.957 3.913 . 0 0 "[ . 1 . 2]" 1
288 1 13 ASN HB3 1 39 CYS HB2 0.000 . 6.750 4.168 3.766 5.198 . 0 0 "[ . 1 . 2]" 1
289 1 13 ASN HB3 1 39 CYS HB3 0.000 . 6.750 4.049 3.556 5.583 . 0 0 "[ . 1 . 2]" 1
290 1 13 ASN QD 1 34 TYR QD 0.000 . 5.440 4.169 3.724 4.517 . 0 0 "[ . 1 . 2]" 1
291 1 13 ASN QD 1 34 TYR QE 0.000 . 5.990 4.560 4.096 4.830 . 0 0 "[ . 1 . 2]" 1
292 1 13 ASN QD 1 39 CYS QB 0.000 . 8.940 2.781 2.267 3.448 . 0 0 "[ . 1 . 2]" 1
293 1 13 ASN HD21 1 34 TYR QD 0.000 . 5.700 4.431 3.862 4.922 . 0 0 "[ . 1 . 2]" 1
294 1 13 ASN HD21 1 34 TYR QE 0.000 . 6.200 5.056 4.485 5.369 . 0 0 "[ . 1 . 2]" 1
295 1 13 ASN HD22 1 34 TYR QD 0.000 . 5.700 5.152 4.245 5.414 . 0 0 "[ . 1 . 2]" 1
296 1 13 ASN HD22 1 34 TYR QE 0.000 . 6.200 5.218 4.533 5.672 . 0 0 "[ . 1 . 2]" 1
297 1 14 GLY H 1 14 GLY HA2 0.000 . 2.900 2.882 2.780 2.960 0.060 10 0 "[ . 1 . 2]" 1
298 1 14 GLY H 1 14 GLY HA3 0.000 . 2.900 2.355 2.313 2.392 . 0 0 "[ . 1 . 2]" 1
299 1 14 GLY H 1 15 GLY H 0.000 . 3.000 2.355 2.134 3.015 0.015 4 0 "[ . 1 . 2]" 1
300 1 14 GLY H 1 15 GLY QA 0.000 . 5.480 4.108 3.838 4.300 . 0 0 "[ . 1 . 2]" 1
301 1 14 GLY H 1 30 CYS H 0.000 . 6.000 6.056 6.015 6.121 0.121 17 0 "[ . 1 . 2]" 1
302 1 14 GLY H 1 39 CYS QB 2.620 2.620 1002.620 2.304 2.248 2.409 0.372 8 0 "[ . 1 . 2]" 1
303 1 14 GLY QA 1 30 CYS QB 0.000 . 6.950 3.291 2.826 3.885 . 0 0 "[ . 1 . 2]" 1
304 1 14 GLY QA 1 31 VAL H 0.000 . 4.980 2.478 1.881 3.798 . 0 0 "[ . 1 . 2]" 1
305 1 14 GLY QA 1 31 VAL QG 0.000 . 4.690 2.939 2.741 3.064 . 0 0 "[ . 1 . 2]" 1
306 1 14 GLY HA2 1 15 GLY H 0.000 . 3.300 3.240 2.682 3.317 0.017 7 0 "[ . 1 . 2]" 1
307 1 14 GLY HA2 1 31 VAL MG1 0.000 . 6.000 3.875 3.539 4.228 . 0 0 "[ . 1 . 2]" 1
308 1 14 GLY HA2 1 31 VAL MG2 0.000 . 6.000 4.918 4.814 5.011 . 0 0 "[ . 1 . 2]" 1
309 1 14 GLY HA3 1 15 GLY H 0.000 . 3.300 2.956 2.731 3.383 0.083 4 0 "[ . 1 . 2]" 1
310 1 14 GLY HA3 1 31 VAL MG1 0.000 . 6.000 3.140 2.847 3.344 . 0 0 "[ . 1 . 2]" 1
311 1 14 GLY HA3 1 31 VAL MG2 0.000 . 6.000 4.526 4.096 4.795 . 0 0 "[ . 1 . 2]" 1
312 1 15 GLY H 1 15 GLY HA2 0.000 . 2.900 2.507 2.374 2.867 . 0 0 "[ . 1 . 2]" 1
313 1 15 GLY H 1 15 GLY HA3 0.000 . 2.900 2.406 2.240 2.481 . 0 0 "[ . 1 . 2]" 1
314 1 15 GLY H 1 16 VAL H 0.000 . 4.000 3.861 3.697 4.082 0.082 16 0 "[ . 1 . 2]" 1
315 1 15 GLY H 1 28 CYS HB2 3.500 3.500 1003.500 5.753 5.507 6.381 . 0 0 "[ . 1 . 2]" 1
316 1 15 GLY H 1 28 CYS HB3 3.500 3.500 1003.500 4.370 4.087 5.125 . 0 0 "[ . 1 . 2]" 1
317 1 15 GLY H 1 30 CYS H 3.500 3.500 1003.500 5.523 5.232 6.577 . 0 0 "[ . 1 . 2]" 1
318 1 15 GLY H 1 30 CYS QB 2.620 2.620 1002.620 3.939 3.523 5.602 . 0 0 "[ . 1 . 2]" 1
319 1 15 GLY QA 1 16 VAL H 0.000 . 3.170 2.425 2.017 2.623 . 0 0 "[ . 1 . 2]" 1
320 1 15 GLY QA 1 16 VAL QG 0.000 . 6.540 4.064 3.862 4.166 . 0 0 "[ . 1 . 2]" 1
321 1 15 GLY QA 1 17 ABA H 2.620 2.620 1002.620 4.175 3.898 4.514 . 0 0 "[ . 1 . 2]" 1
322 1 15 GLY QA 1 17 ABA HB3 2.620 2.620 1002.620 4.784 4.452 5.357 . 0 0 "[ . 1 . 2]" 1
323 1 15 GLY QA 1 28 CYS HA 0.000 . 6.880 4.056 3.674 4.221 . 0 0 "[ . 1 . 2]" 1
324 1 15 GLY QA 1 28 CYS QB 0.000 . 6.400 2.201 2.047 2.530 . 0 0 "[ . 1 . 2]" 1
325 1 15 GLY QA 1 29 ASN H . 2.620 5.080 3.677 3.169 4.020 . 0 0 "[ . 1 . 2]" 1
326 1 15 GLY QA 1 29 ASN HA 2.620 2.620 1002.620 5.274 4.421 5.809 . 0 0 "[ . 1 . 2]" 1
327 1 15 GLY QA 1 30 CYS H . 2.620 5.880 4.639 3.344 5.005 . 0 0 "[ . 1 . 2]" 1
328 1 15 GLY QA 1 30 CYS HA 0.000 . 6.880 3.468 2.494 4.124 . 0 0 "[ . 1 . 2]" 1
329 1 15 GLY QA 1 30 CYS QB 0.000 . 7.950 4.412 3.836 5.093 . 0 0 "[ . 1 . 2]" 1
330 1 15 GLY QA 1 39 CYS QB 1.750 . 1001.750 4.240 3.767 4.469 . 0 0 "[ . 1 . 2]" 1
331 1 15 GLY HA2 1 28 CYS HA 3.500 3.500 1003.500 4.207 3.880 4.356 . 0 0 "[ . 1 . 2]" 1
332 1 15 GLY HA2 1 28 CYS HB2 0.000 . 7.950 3.609 3.417 3.961 . 0 0 "[ . 1 . 2]" 1
333 1 15 GLY HA2 1 28 CYS HB3 0.000 . 7.950 2.263 2.076 2.607 . 0 0 "[ . 1 . 2]" 1
334 1 15 GLY HA3 1 28 CYS HA 3.500 3.500 1003.500 5.351 4.546 5.658 . 0 0 "[ . 1 . 2]" 1
335 1 15 GLY HA3 1 28 CYS HB2 0.000 . 7.950 4.534 3.801 4.932 . 0 0 "[ . 1 . 2]" 1
336 1 15 GLY HA3 1 28 CYS HB3 0.000 . 7.950 3.607 2.654 4.210 . 0 0 "[ . 1 . 2]" 1
337 1 16 VAL H 1 16 VAL HA 0.000 . 2.900 2.940 2.923 2.948 0.048 16 0 "[ . 1 . 2]" 1
338 1 16 VAL H 1 16 VAL HB 0.000 . 2.900 2.143 2.104 2.184 . 0 0 "[ . 1 . 2]" 1
339 1 16 VAL H 1 16 VAL MG1 0.000 . 4.100 3.496 3.426 3.579 . 0 0 "[ . 1 . 2]" 1
340 1 16 VAL H 1 16 VAL QG 0.000 . 3.680 2.827 2.568 2.953 . 0 0 "[ . 1 . 2]" 1
341 1 16 VAL H 1 16 VAL MG2 0.000 . 4.100 2.994 2.631 3.219 . 0 0 "[ . 1 . 2]" 1
342 1 16 VAL H 1 17 ABA H 0.000 . 5.000 3.927 3.761 4.143 . 0 0 "[ . 1 . 2]" 1
343 1 16 VAL H 1 28 CYS HA 0.000 . 4.600 3.851 3.636 4.029 . 0 0 "[ . 1 . 2]" 1
344 1 16 VAL H 1 29 ASN H 0.000 . 3.200 2.332 2.153 2.714 . 0 0 "[ . 1 . 2]" 1
345 1 16 VAL H 1 29 ASN QB 0.000 . 5.680 3.379 3.100 3.805 . 0 0 "[ . 1 . 2]" 1
346 1 16 VAL H 1 30 CYS H 0.000 . 5.400 4.433 3.914 4.657 . 0 0 "[ . 1 . 2]" 1
347 1 16 VAL HA 1 17 ABA H 0.000 . 2.900 2.009 1.983 2.044 . 0 0 "[ . 1 . 2]" 1
348 1 16 VAL HA 1 17 ABA HB2 0.000 . 4.300 4.222 4.075 4.564 0.264 17 0 "[ . 1 . 2]" 1
349 1 16 VAL HA 1 17 ABA HB3 0.000 . 4.900 4.387 4.363 4.423 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL HA 1 28 CYS HA 0.000 . 5.100 4.833 4.703 4.957 . 0 0 "[ . 1 . 2]" 1
351 1 16 VAL HB 1 29 ASN H 0.000 . 5.100 2.815 2.242 3.216 . 0 0 "[ . 1 . 2]" 1
352 1 16 VAL HB 1 29 ASN HA 0.000 . 6.100 4.495 4.123 4.664 . 0 0 "[ . 1 . 2]" 1
353 1 16 VAL HB 1 29 ASN HB2 0.000 . 3.800 3.538 3.017 3.807 0.007 12 0 "[ . 1 . 2]" 1
354 1 16 VAL HB 1 29 ASN HB3 0.000 . 3.800 2.144 2.021 2.430 . 0 0 "[ . 1 . 2]" 1
355 1 16 VAL HB 1 29 ASN HD21 0.000 . 6.300 3.973 2.751 5.075 . 0 0 "[ . 1 . 2]" 1
356 1 16 VAL HB 1 29 ASN QD 0.000 . 5.940 3.856 2.717 4.845 . 0 0 "[ . 1 . 2]" 1
357 1 16 VAL HB 1 29 ASN HD22 0.000 . 6.300 5.297 4.221 6.134 . 0 0 "[ . 1 . 2]" 1
358 1 16 VAL QG 1 17 ABA H 0.000 . 5.460 3.319 3.207 3.466 . 0 0 "[ . 1 . 2]" 1
359 1 16 VAL QG 1 18 MET QB 0.000 . 7.840 2.705 2.382 2.956 . 0 0 "[ . 1 . 2]" 1
360 1 16 VAL QG 1 18 MET QG 0.000 . 6.160 3.073 3.017 3.166 . 0 0 "[ . 1 . 2]" 1
361 1 16 VAL QG 1 28 CYS HA 0.000 . 7.060 4.099 4.020 4.204 . 0 0 "[ . 1 . 2]" 1
362 1 16 VAL QG 1 29 ASN H 0.000 . 6.260 2.954 2.820 3.166 . 0 0 "[ . 1 . 2]" 1
363 1 16 VAL QG 1 29 ASN HA 0.000 . 6.760 4.449 4.217 4.710 . 0 0 "[ . 1 . 2]" 1
364 1 16 VAL QG 1 29 ASN QB 0.000 . 4.790 2.172 1.938 2.428 . 0 0 "[ . 1 . 2]" 1
365 1 16 VAL QG 1 29 ASN QD 0.000 . 6.150 3.244 2.984 4.113 . 0 0 "[ . 1 . 2]" 1
366 1 16 VAL MG1 1 29 ASN HB2 0.000 . 6.550 2.772 2.118 3.613 . 0 0 "[ . 1 . 2]" 1
367 1 16 VAL MG1 1 29 ASN HB3 0.000 . 6.550 2.353 2.037 2.830 . 0 0 "[ . 1 . 2]" 1
368 1 16 VAL MG1 1 29 ASN HD21 0.000 . 7.920 3.521 3.071 4.995 . 0 0 "[ . 1 . 2]" 1
369 1 16 VAL MG1 1 29 ASN HD22 0.000 . 7.920 4.774 4.456 5.156 . 0 0 "[ . 1 . 2]" 1
370 1 16 VAL MG2 1 29 ASN HB2 0.000 . 6.550 4.822 4.446 5.113 . 0 0 "[ . 1 . 2]" 1
371 1 16 VAL MG2 1 29 ASN HB3 0.000 . 6.550 3.585 3.419 3.779 . 0 0 "[ . 1 . 2]" 1
372 1 16 VAL MG2 1 29 ASN HD21 0.000 . 7.920 4.402 3.324 5.629 . 0 0 "[ . 1 . 2]" 1
373 1 16 VAL MG2 1 29 ASN HD22 0.000 . 7.920 5.568 4.314 6.544 . 0 0 "[ . 1 . 2]" 1
374 1 17 ABA H 1 17 ABA HB2 0.000 . 3.400 2.351 2.221 2.581 . 0 0 "[ . 1 . 2]" 1
375 1 17 ABA H 1 17 ABA HB3 0.000 . 3.400 2.429 2.396 2.494 . 0 0 "[ . 1 . 2]" 1
376 1 17 ABA H 1 18 MET H 0.000 . 4.500 4.272 4.133 4.410 . 0 0 "[ . 1 . 2]" 1
377 1 17 ABA H 1 28 CYS HA 3.500 3.500 1003.500 4.077 3.881 4.255 . 0 0 "[ . 1 . 2]" 1
378 1 17 ABA H 1 28 CYS HB2 3.500 3.500 1003.500 5.529 5.403 5.723 . 0 0 "[ . 1 . 2]" 1
379 1 17 ABA H 1 28 CYS HB3 3.500 3.500 1003.500 5.258 5.062 5.559 . 0 0 "[ . 1 . 2]" 1
380 1 17 ABA H 1 29 ASN H 3.500 3.500 1003.500 4.343 4.222 4.563 . 0 0 "[ . 1 . 2]" 1
381 1 17 ABA HA 1 18 MET H 0.000 . 2.900 2.144 2.008 2.185 . 0 0 "[ . 1 . 2]" 1
382 1 17 ABA HA 1 28 CYS HA 0.000 . 2.900 2.237 2.099 2.392 . 0 0 "[ . 1 . 2]" 1
383 1 17 ABA HA 1 28 CYS QB 0.000 . 6.680 3.670 3.546 3.875 . 0 0 "[ . 1 . 2]" 1
384 1 17 ABA HB2 1 18 MET H 0.000 . 4.400 4.476 4.215 4.555 0.155 2 0 "[ . 1 . 2]" 1
385 1 17 ABA HB2 1 26 TYR QD 0.000 . 10.400 5.580 5.444 6.096 . 0 0 "[ . 1 . 2]" 1
386 1 17 ABA HB2 1 28 CYS HA 0.000 . 5.600 5.135 4.972 5.339 . 0 0 "[ . 1 . 2]" 1
387 1 17 ABA HB3 1 19 HIS H 3.500 3.500 1003.500 7.545 6.844 8.150 . 0 0 "[ . 1 . 2]" 1
388 1 17 ABA HB3 1 19 HIS QB 2.620 2.620 1002.620 7.800 7.352 8.213 . 0 0 "[ . 1 . 2]" 1
389 1 17 ABA HB3 1 26 TYR QD 0.000 . 8.100 5.278 5.060 6.222 . 0 0 "[ . 1 . 2]" 1
390 1 17 ABA HB3 1 28 CYS HA 0.000 . 5.500 4.346 4.147 4.578 . 0 0 "[ . 1 . 2]" 1
391 1 17 ABA HG1 1 18 MET H 0.000 . 5.000 4.253 2.992 5.157 0.157 10 0 "[ . 1 . 2]" 1
392 1 17 ABA HG1 1 19 HIS H 0.000 . 7.500 6.002 4.460 7.427 . 0 0 "[ . 1 . 2]" 1
393 1 17 ABA HG1 1 19 HIS QB 0.000 . 8.380 5.875 4.970 6.767 . 0 0 "[ . 1 . 2]" 1
394 1 17 ABA HG1 1 26 TYR HA 0.000 . 6.300 6.316 5.540 7.136 0.836 10 5 "[ * * + .*- 2]" 1
395 1 17 ABA HG1 1 26 TYR HB2 0.000 . 6.700 5.525 4.867 6.654 . 0 0 "[ . 1 . 2]" 1
396 1 17 ABA HG1 1 26 TYR HB3 0.000 . 8.400 6.455 5.961 7.408 . 0 0 "[ . 1 . 2]" 1
397 1 17 ABA HG1 1 26 TYR QD 0.000 . 6.600 3.629 2.869 4.554 . 0 0 "[ . 1 . 2]" 1
398 1 17 ABA HG1 1 26 TYR QE 0.000 . 8.700 2.419 2.006 3.471 . 0 0 "[ . 1 . 2]" 1
399 1 17 ABA HG1 1 27 THR H 0.000 . 6.300 5.410 4.599 6.415 0.115 5 0 "[ . 1 . 2]" 1
400 1 17 ABA HG1 1 28 CYS HA 0.000 . 6.900 5.272 4.607 6.277 . 0 0 "[ . 1 . 2]" 1
401 1 18 MET H 1 18 MET QB 0.000 . 3.760 3.032 2.811 3.153 . 0 0 "[ . 1 . 2]" 1
402 1 18 MET H 1 27 THR H 0.000 . 3.600 3.601 3.445 3.642 0.042 18 0 "[ . 1 . 2]" 1
403 1 18 MET H 1 27 THR HB 3.500 3.500 1003.500 5.614 5.513 5.730 . 0 0 "[ . 1 . 2]" 1
404 1 18 MET H 1 28 CYS HA 0.000 . 3.300 2.389 2.143 2.772 . 0 0 "[ . 1 . 2]" 1
405 1 18 MET H 1 29 ASN H 0.000 . 4.300 3.726 3.373 4.100 . 0 0 "[ . 1 . 2]" 1
406 1 18 MET HA 1 28 CYS HA 0.000 . 6.100 5.287 5.070 5.611 . 0 0 "[ . 1 . 2]" 1
407 1 18 MET QB 1 20 ILE MD 0.000 . 7.100 3.522 2.979 4.174 . 0 0 "[ . 1 . 2]" 1
408 1 18 MET QB 1 27 THR H 0.000 . 7.700 5.051 4.878 5.153 . 0 0 "[ . 1 . 2]" 1
409 1 18 MET QB 1 27 THR HB 0.000 . 7.400 6.527 6.269 6.636 . 0 0 "[ . 1 . 2]" 1
410 1 18 MET QB 1 27 THR MG 0.000 . 6.400 4.253 4.014 4.440 . 0 0 "[ . 1 . 2]" 1
411 1 18 MET QB 1 28 CYS HA 0.000 . 8.100 4.533 4.177 4.854 . 0 0 "[ . 1 . 2]" 1
412 1 18 MET QB 1 29 ASN HA 2.620 2.620 1002.620 5.766 5.487 6.259 . 0 0 "[ . 1 . 2]" 1
413 1 18 MET QB 1 29 ASN HD21 0.000 . 11.000 5.457 3.957 6.629 . 0 0 "[ . 1 . 2]" 1
414 1 18 MET QB 1 29 ASN QD 0.000 . 10.240 5.168 3.855 6.168 . 0 0 "[ . 1 . 2]" 1
415 1 18 MET QB 1 29 ASN HD22 0.000 . 11.000 6.451 5.092 7.352 . 0 0 "[ . 1 . 2]" 1
416 1 18 MET QG 1 19 HIS H 0.000 . 7.500 3.914 3.319 4.356 . 0 0 "[ . 1 . 2]" 1
417 1 18 MET QG 1 20 ILE HA 0.000 . 5.400 4.515 4.463 4.747 . 0 0 "[ . 1 . 2]" 1
418 1 18 MET QG 1 27 THR MG 0.000 . 5.000 2.324 2.134 2.479 . 0 0 "[ . 1 . 2]" 1
419 1 18 MET QG 1 28 CYS HA 0.000 . 7.200 2.924 2.732 3.321 . 0 0 "[ . 1 . 2]" 1
420 1 18 MET QG 1 29 ASN H 0.000 . 7.000 2.953 2.696 3.568 . 0 0 "[ . 1 . 2]" 1
421 1 18 MET QG 1 29 ASN HA 0.000 . 8.300 4.068 3.861 4.479 . 0 0 "[ . 1 . 2]" 1
422 1 18 MET QG 1 29 ASN HB2 0.000 . 7.300 2.649 2.389 3.219 . 0 0 "[ . 1 . 2]" 1
423 1 18 MET QG 1 29 ASN QB 0.000 . 6.950 2.584 2.364 2.942 . 0 0 "[ . 1 . 2]" 1
424 1 18 MET QG 1 29 ASN HB3 0.000 . 7.300 3.793 3.320 4.159 . 0 0 "[ . 1 . 2]" 1
425 1 18 MET QG 1 29 ASN HD21 0.000 . 9.000 5.120 3.708 5.820 . 0 0 "[ . 1 . 2]" 1
426 1 18 MET QG 1 29 ASN QD 0.000 . 8.810 4.822 3.593 5.479 . 0 0 "[ . 1 . 2]" 1
427 1 18 MET QG 1 29 ASN HD22 0.000 . 9.000 5.923 4.816 6.683 . 0 0 "[ . 1 . 2]" 1
428 1 19 HIS H 1 19 HIS HB2 0.000 . 3.700 2.637 2.405 2.895 . 0 0 "[ . 1 . 2]" 1
429 1 19 HIS H 1 19 HIS QB 0.000 . 3.490 2.306 2.204 2.432 . 0 0 "[ . 1 . 2]" 1
430 1 19 HIS H 1 19 HIS HB3 0.000 . 3.700 2.565 2.445 2.645 . 0 0 "[ . 1 . 2]" 1
431 1 19 HIS H 1 26 TYR HA 3.500 3.500 1003.500 4.763 4.555 4.966 . 0 0 "[ . 1 . 2]" 1
432 1 19 HIS HA 1 20 ILE H 0.000 . 3.200 2.222 2.169 2.273 . 0 0 "[ . 1 . 2]" 1
433 1 19 HIS HA 1 26 TYR HA 0.000 . 3.300 1.887 1.784 2.039 . 0 0 "[ . 1 . 2]" 1
434 1 19 HIS HA 1 26 TYR QD 0.000 . 8.100 2.829 2.389 3.384 . 0 0 "[ . 1 . 2]" 1
435 1 19 HIS HA 1 26 TYR QE 0.000 . 10.500 4.986 4.553 5.280 . 0 0 "[ . 1 . 2]" 1
436 1 19 HIS QB 1 20 ILE H 0.000 . 5.380 3.820 3.770 3.883 . 0 0 "[ . 1 . 2]" 1
437 1 19 HIS QB 1 26 TYR HA 0.000 . 7.480 3.748 3.620 3.937 . 0 0 "[ . 1 . 2]" 1
438 1 19 HIS QB 1 26 TYR QE 0.000 . 9.180 5.708 4.915 6.141 . 0 0 "[ . 1 . 2]" 1
439 1 19 HIS QB 1 27 THR HB 0.000 . 7.180 6.547 6.514 6.579 . 0 0 "[ . 1 . 2]" 1
440 1 19 HIS HD1 1 21 GLU H 0.000 . 5.200 1.978 1.836 2.123 . 0 0 "[ . 1 . 2]" 1
441 1 19 HIS HD1 1 21 GLU HA 0.000 . 5.000 3.590 3.479 3.769 . 0 0 "[ . 1 . 2]" 1
442 1 19 HIS HD1 1 21 GLU QB 0.000 . 9.880 3.280 3.214 3.352 . 0 0 "[ . 1 . 2]" 1
443 1 19 HIS HD1 1 21 GLU QG 0.000 . 6.100 3.982 3.866 4.060 . 0 0 "[ . 1 . 2]" 1
444 1 19 HIS HD1 1 22 SER HA 0.000 . 7.400 7.341 7.207 7.430 0.030 17 0 "[ . 1 . 2]" 1
445 1 19 HIS HD1 1 24 ASP HB2 0.000 . 6.900 6.392 6.282 6.651 . 0 0 "[ . 1 . 2]" 1
446 1 19 HIS HD1 1 24 ASP QB 0.000 . 6.500 5.842 5.823 5.860 . 0 0 "[ . 1 . 2]" 1
447 1 19 HIS HD1 1 24 ASP HB3 0.000 . 6.900 6.765 6.511 6.886 . 0 0 "[ . 1 . 2]" 1
448 1 19 HIS HD1 1 25 SER HA 0.000 . 7.500 3.376 3.264 3.590 . 0 0 "[ . 1 . 2]" 1
449 1 19 HIS HD1 1 25 SER HB2 0.000 . 8.000 4.926 4.773 5.137 . 0 0 "[ . 1 . 2]" 1
450 1 19 HIS HD1 1 26 TYR QD 0.000 . 9.000 4.510 4.237 4.701 . 0 0 "[ . 1 . 2]" 1
451 1 19 HIS HE1 1 20 ILE MG 0.000 . 6.000 4.712 4.606 4.749 . 0 0 "[ . 1 . 2]" 1
452 1 19 HIS HE1 1 21 GLU HA 0.000 . 7.400 2.799 2.658 3.021 . 0 0 "[ . 1 . 2]" 1
453 1 19 HIS HE1 1 21 GLU QB 0.000 . 7.780 2.737 2.632 2.855 . 0 0 "[ . 1 . 2]" 1
454 1 19 HIS HE1 1 21 GLU QG 0.000 . 7.100 2.040 1.988 2.112 . 0 0 "[ . 1 . 2]" 1
455 1 19 HIS HE1 1 22 SER H 0.000 . 5.100 5.140 5.125 5.165 0.065 12 0 "[ . 1 . 2]" 1
456 1 19 HIS HE1 1 24 ASP HA 0.000 . 6.600 6.525 6.307 6.629 0.029 16 0 "[ . 1 . 2]" 1
457 1 19 HIS HE1 1 25 SER H 0.000 . 7.500 4.714 4.614 4.834 . 0 0 "[ . 1 . 2]" 1
458 1 19 HIS HE1 1 25 SER HA 0.000 . 8.500 2.162 2.036 2.396 . 0 0 "[ . 1 . 2]" 1
459 1 19 HIS HE1 1 26 TYR HA 0.000 . 6.200 4.123 3.865 4.313 . 0 0 "[ . 1 . 2]" 1
460 1 20 ILE H 1 20 ILE HA 0.000 . 2.900 2.908 2.886 2.927 0.027 18 0 "[ . 1 . 2]" 1
461 1 20 ILE H 1 20 ILE HB 0.000 . 3.400 2.280 2.184 2.361 . 0 0 "[ . 1 . 2]" 1
462 1 20 ILE H 1 20 ILE MD 0.000 . 4.900 3.628 3.357 3.900 . 0 0 "[ . 1 . 2]" 1
463 1 20 ILE H 1 21 GLU H 0.000 . 5.000 2.560 2.341 2.789 . 0 0 "[ . 1 . 2]" 1
464 1 20 ILE H 1 25 SER H 0.000 . 4.000 4.068 4.051 4.093 0.093 17 0 "[ . 1 . 2]" 1
465 1 20 ILE H 1 26 TYR HA 0.000 . 3.900 2.156 2.078 2.228 . 0 0 "[ . 1 . 2]" 1
466 1 20 ILE HA 1 20 ILE MD 0.000 . 3.900 2.651 2.380 3.030 . 0 0 "[ . 1 . 2]" 1
467 1 20 ILE HA 1 20 ILE HG12 0.000 . 3.400 3.465 3.452 3.481 0.081 19 0 "[ . 1 . 2]" 1
468 1 20 ILE HA 1 20 ILE QG 0.000 . 3.180 2.163 2.118 2.272 . 0 0 "[ . 1 . 2]" 1
469 1 20 ILE HA 1 20 ILE HG13 0.000 . 3.400 2.185 2.137 2.302 . 0 0 "[ . 1 . 2]" 1
470 1 20 ILE HA 1 21 GLU H 0.000 . 2.900 2.968 2.938 3.007 0.107 17 0 "[ . 1 . 2]" 1
471 1 20 ILE HA 1 21 GLU QB 0.000 . 5.380 4.611 4.548 4.695 . 0 0 "[ . 1 . 2]" 1
472 1 20 ILE HA 1 26 TYR HA 0.000 . 5.000 5.037 4.968 5.088 0.088 7 0 "[ . 1 . 2]" 1
473 1 20 ILE HB 1 23 LEU QB 0.000 . 6.700 5.879 5.845 5.908 . 0 0 "[ . 1 . 2]" 1
474 1 20 ILE HB 1 25 SER H 0.000 . 5.200 4.273 4.050 4.418 . 0 0 "[ . 1 . 2]" 1
475 1 20 ILE HB 1 26 TYR HA 0.000 . 5.900 3.897 3.815 3.949 . 0 0 "[ . 1 . 2]" 1
476 1 20 ILE MD 1 29 ASN HA 0.000 . 5.800 4.805 4.746 4.884 . 0 0 "[ . 1 . 2]" 1
477 1 20 ILE QG 1 21 GLU H 0.000 . 8.480 4.578 4.530 4.675 . 0 0 "[ . 1 . 2]" 1
478 1 20 ILE QG 1 26 TYR HA 0.000 . 6.350 5.752 5.730 5.776 . 0 0 "[ . 1 . 2]" 1
479 1 20 ILE QG 1 27 THR MG 0.000 . 4.280 2.829 2.586 2.950 . 0 0 "[ . 1 . 2]" 1
480 1 20 ILE HG12 1 26 TYR HA 0.000 . 6.700 6.459 6.388 6.500 . 0 0 "[ . 1 . 2]" 1
481 1 20 ILE HG13 1 26 TYR HA 0.000 . 6.700 6.455 6.389 6.516 . 0 0 "[ . 1 . 2]" 1
482 1 20 ILE MG 1 21 GLU H 0.000 . 4.400 3.415 3.267 3.482 . 0 0 "[ . 1 . 2]" 1
483 1 20 ILE MG 1 21 GLU HA 0.000 . 4.400 3.502 3.472 3.531 . 0 0 "[ . 1 . 2]" 1
484 1 20 ILE MG 1 22 SER QB 0.000 . 6.080 4.126 4.101 4.207 . 0 0 "[ . 1 . 2]" 1
485 1 20 ILE MG 1 25 SER HB3 0.000 . 5.700 4.438 4.333 4.524 . 0 0 "[ . 1 . 2]" 1
486 1 20 ILE MG 1 26 TYR HA 0.000 . 5.200 3.900 3.678 4.131 . 0 0 "[ . 1 . 2]" 1
487 1 21 GLU H 1 21 GLU QB 0.000 . 3.720 2.267 2.234 2.325 . 0 0 "[ . 1 . 2]" 1
488 1 21 GLU H 1 21 GLU QG 0.000 . 4.880 3.685 3.598 3.774 . 0 0 "[ . 1 . 2]" 1
489 1 21 GLU HA 1 22 SER H 0.000 . 3.300 3.319 3.306 3.345 0.045 16 0 "[ . 1 . 2]" 1
490 1 21 GLU HA 1 23 LEU HG 0.000 . 5.800 5.252 5.102 5.383 . 0 0 "[ . 1 . 2]" 1
491 1 21 GLU HA 1 24 ASP H 0.000 . 5.000 3.249 3.117 3.450 . 0 0 "[ . 1 . 2]" 1
492 1 21 GLU HA 1 25 SER H 3.500 3.500 1003.500 3.448 3.418 3.471 0.082 8 0 "[ . 1 . 2]" 1
493 1 21 GLU QB 1 22 SER H 0.000 . 4.380 2.372 2.100 2.617 . 0 0 "[ . 1 . 2]" 1
494 1 21 GLU QB 1 22 SER HA 0.000 . 5.480 3.597 3.463 3.722 . 0 0 "[ . 1 . 2]" 1
495 1 21 GLU QB 1 25 SER HB2 0.000 . 6.880 5.875 5.734 6.078 . 0 0 "[ . 1 . 2]" 1
496 1 21 GLU QB 1 26 TYR H 2.620 2.620 1002.620 5.955 5.798 6.086 . 0 0 "[ . 1 . 2]" 1
497 1 21 GLU QG 1 22 SER HA 0.000 . 8.100 5.455 5.214 5.676 . 0 0 "[ . 1 . 2]" 1
498 1 22 SER H 1 22 SER HB2 0.000 . 3.800 2.864 2.511 2.978 . 0 0 "[ . 1 . 2]" 1
499 1 22 SER H 1 22 SER QB 0.000 . 3.500 2.725 2.468 2.804 . 0 0 "[ . 1 . 2]" 1
500 1 22 SER H 1 22 SER HB3 0.000 . 3.800 3.455 3.384 3.632 . 0 0 "[ . 1 . 2]" 1
501 1 22 SER H 1 23 LEU H 0.000 . 3.300 2.947 2.854 3.018 . 0 0 "[ . 1 . 2]" 1
502 1 22 SER HA 1 23 LEU H 0.000 . 3.300 3.340 3.318 3.354 0.054 14 0 "[ . 1 . 2]" 1
503 1 22 SER HA 1 23 LEU QD 0.000 . 6.270 3.910 3.849 4.052 . 0 0 "[ . 1 . 2]" 1
504 1 22 SER HA 1 23 LEU HG 0.000 . 5.700 4.989 4.898 5.035 . 0 0 "[ . 1 . 2]" 1
505 1 22 SER HA 1 24 ASP H 0.000 . 4.800 4.858 4.829 4.897 0.097 12 0 "[ . 1 . 2]" 1
506 1 22 SER QB 1 23 LEU H 0.000 . 4.210 2.288 2.185 2.389 . 0 0 "[ . 1 . 2]" 1
507 1 22 SER QB 1 23 LEU QD 0.000 . 7.750 2.000 1.935 2.137 . 0 0 "[ . 1 . 2]" 1
508 1 22 SER HB2 1 23 LEU H 0.000 . 4.400 2.316 2.205 2.452 . 0 0 "[ . 1 . 2]" 1
509 1 22 SER HB3 1 23 LEU H 0.000 . 4.400 3.593 3.306 3.727 . 0 0 "[ . 1 . 2]" 1
510 1 23 LEU H 1 23 LEU MD1 0.000 . 5.300 3.702 3.641 3.752 . 0 0 "[ . 1 . 2]" 1
511 1 23 LEU H 1 23 LEU QD 0.000 . 4.380 2.594 2.508 2.693 . 0 0 "[ . 1 . 2]" 1
512 1 23 LEU H 1 23 LEU MD2 0.000 . 5.300 2.649 2.554 2.769 . 0 0 "[ . 1 . 2]" 1
513 1 23 LEU H 1 23 LEU HG 0.000 . 3.700 1.872 1.816 1.924 . 0 0 "[ . 1 . 2]" 1
514 1 23 LEU H 1 24 ASP H 0.000 . 3.400 1.968 1.889 2.022 . 0 0 "[ . 1 . 2]" 1
515 1 23 LEU HA 1 23 LEU HG 0.000 . 3.400 3.501 3.491 3.507 0.107 9 0 "[ . 1 . 2]" 1
516 1 23 LEU HA 1 24 ASP H 0.000 . 3.500 3.474 3.440 3.496 . 0 0 "[ . 1 . 2]" 1
517 1 23 LEU HA 1 25 SER H 0.000 . 6.500 6.286 6.163 6.380 . 0 0 "[ . 1 . 2]" 1
518 1 23 LEU QB 1 24 ASP H 0.000 . 5.300 3.030 2.907 3.174 . 0 0 "[ . 1 . 2]" 1
519 1 23 LEU QB 1 24 ASP QB 1.750 . 1001.750 3.356 3.098 3.474 . 0 0 "[ . 1 . 2]" 1
520 1 23 LEU QB 1 25 SER H 0.000 . 5.800 4.925 4.905 4.940 . 0 0 "[ . 1 . 2]" 1
521 1 23 LEU QD 1 24 ASP H 0.000 . 5.970 3.471 3.372 3.583 . 0 0 "[ . 1 . 2]" 1
522 1 23 LEU QD 1 25 SER H 0.000 . 6.570 4.712 4.522 4.781 . 0 0 "[ . 1 . 2]" 1
523 1 23 LEU HG 1 24 ASP H 0.000 . 4.200 2.573 2.480 2.720 . 0 0 "[ . 1 . 2]" 1
524 1 23 LEU HG 1 25 SER H 0.000 . 4.700 4.759 4.742 4.778 0.078 12 0 "[ . 1 . 2]" 1
525 1 24 ASP H 1 24 ASP HA 0.000 . 2.900 2.937 2.931 2.942 0.042 5 0 "[ . 1 . 2]" 1
526 1 24 ASP H 1 24 ASP HB2 0.000 . 4.000 2.844 2.797 2.885 . 0 0 "[ . 1 . 2]" 1
527 1 24 ASP H 1 24 ASP QB 0.000 . 3.610 2.777 2.736 2.815 . 0 0 "[ . 1 . 2]" 1
528 1 24 ASP H 1 24 ASP HB3 0.000 . 4.000 3.892 3.782 3.926 . 0 0 "[ . 1 . 2]" 1
529 1 24 ASP H 1 25 SER H 0.000 . 3.500 2.958 2.858 3.050 . 0 0 "[ . 1 . 2]" 1
530 1 24 ASP HA 1 25 SER H 0.000 . 3.500 3.486 3.446 3.511 0.011 12 0 "[ . 1 . 2]" 1
531 1 24 ASP QB 1 27 THR HB 0.000 . 7.380 4.634 4.450 5.121 . 0 0 "[ . 1 . 2]" 1
532 1 24 ASP HB2 1 25 SER H 0.000 . 4.900 2.158 2.039 2.500 . 0 0 "[ . 1 . 2]" 1
533 1 24 ASP HB3 1 25 SER H 0.000 . 4.900 2.401 2.189 2.541 . 0 0 "[ . 1 . 2]" 1
534 1 25 SER H 1 25 SER HB2 0.000 . 4.100 4.043 3.978 4.071 . 0 0 "[ . 1 . 2]" 1
535 1 25 SER H 1 25 SER HB3 0.000 . 3.900 3.118 3.036 3.220 . 0 0 "[ . 1 . 2]" 1
536 1 25 SER H 1 26 TYR H 0.000 . 4.200 3.926 3.779 4.078 . 0 0 "[ . 1 . 2]" 1
537 1 25 SER HA 1 26 TYR H 0.000 . 2.900 3.032 2.989 3.066 0.166 4 0 "[ . 1 . 2]" 1
538 1 25 SER HA 1 26 TYR HA 0.000 . 5.300 4.437 4.395 4.488 . 0 0 "[ . 1 . 2]" 1
539 1 25 SER HA 1 26 TYR QD 0.000 . 7.000 6.307 6.169 6.371 . 0 0 "[ . 1 . 2]" 1
540 1 25 SER HA 1 26 TYR QE 0.000 . 10.500 8.293 8.230 8.355 . 0 0 "[ . 1 . 2]" 1
541 1 25 SER HB2 1 26 TYR H 0.000 . 3.800 2.440 2.252 2.647 . 0 0 "[ . 1 . 2]" 1
542 1 25 SER HB2 1 26 TYR HA 0.000 . 6.500 5.156 4.980 5.345 . 0 0 "[ . 1 . 2]" 1
543 1 25 SER HB2 1 26 TYR QD 0.000 . 8.900 5.809 5.454 6.073 . 0 0 "[ . 1 . 2]" 1
544 1 25 SER HB3 1 26 TYR HA 0.000 . 7.100 5.856 5.782 5.917 . 0 0 "[ . 1 . 2]" 1
545 1 26 TYR H 1 26 TYR HB2 0.000 . 4.100 3.420 3.283 3.479 . 0 0 "[ . 1 . 2]" 1
546 1 26 TYR H 1 26 TYR HB3 0.000 . 3.400 2.355 2.291 2.421 . 0 0 "[ . 1 . 2]" 1
547 1 26 TYR H 1 27 THR H 0.000 . 5.700 4.558 4.504 4.633 . 0 0 "[ . 1 . 2]" 1
548 1 26 TYR HA 1 27 THR H 0.000 . 2.900 2.095 2.045 2.202 . 0 0 "[ . 1 . 2]" 1
549 1 26 TYR HA 1 27 THR HA 0.000 . 4.500 4.324 4.277 4.400 . 0 0 "[ . 1 . 2]" 1
550 1 26 TYR HA 1 27 THR MG 0.000 . 5.200 4.231 4.140 4.290 . 0 0 "[ . 1 . 2]" 1
551 1 26 TYR HB2 1 27 THR H 0.000 . 3.700 3.724 3.701 3.742 0.042 17 0 "[ . 1 . 2]" 1
552 1 26 TYR HB2 1 27 THR HA 0.000 . 5.900 5.472 5.433 5.542 . 0 0 "[ . 1 . 2]" 1
553 1 26 TYR HB3 1 27 THR H 0.000 . 4.300 4.301 4.220 4.330 0.030 4 0 "[ . 1 . 2]" 1
554 1 26 TYR HB3 1 27 THR HA 0.000 . 5.400 5.153 5.018 5.263 . 0 0 "[ . 1 . 2]" 1
555 1 26 TYR HB3 1 27 THR HB 0.000 . 7.100 5.590 5.464 5.730 . 0 0 "[ . 1 . 2]" 1
556 1 26 TYR QD 1 27 THR H 0.000 . 7.100 2.118 1.963 3.342 . 0 0 "[ . 1 . 2]" 1
557 1 26 TYR QE 1 27 THR HB 0.000 . 11.000 5.619 5.523 5.734 . 0 0 "[ . 1 . 2]" 1
558 1 27 THR H 1 27 THR HB 0.000 . 4.000 2.835 2.713 3.062 . 0 0 "[ . 1 . 2]" 1
559 1 27 THR H 1 27 THR MG 0.000 . 3.900 2.855 2.735 2.960 . 0 0 "[ . 1 . 2]" 1
560 1 27 THR H 1 28 CYS HA 0.000 . 5.700 4.628 4.523 4.913 . 0 0 "[ . 1 . 2]" 1
561 1 27 THR HA 1 28 CYS H 0.000 . 2.800 2.574 2.500 2.679 . 0 0 "[ . 1 . 2]" 1
562 1 27 THR HA 1 28 CYS HA 0.000 . 5.200 4.444 4.416 4.505 . 0 0 "[ . 1 . 2]" 1
563 1 27 THR HB 1 28 CYS HA 0.000 . 5.800 5.707 5.659 5.803 0.003 10 0 "[ . 1 . 2]" 1
564 1 27 THR MG 1 28 CYS H 0.000 . 3.900 2.328 2.190 2.622 . 0 0 "[ . 1 . 2]" 1
565 1 27 THR MG 1 28 CYS HA 0.000 . 5.400 3.542 3.447 3.652 . 0 0 "[ . 1 . 2]" 1
566 1 27 THR MG 1 29 ASN HA 0.000 . 8.000 3.955 3.656 4.248 . 0 0 "[ . 1 . 2]" 1
567 1 27 THR MG 1 37 ASP QB 0.000 . 6.680 4.507 3.574 4.914 . 0 0 "[ . 1 . 2]" 1
568 1 28 CYS H 1 28 CYS HB2 0.000 . 3.600 2.528 2.427 2.670 . 0 0 "[ . 1 . 2]" 1
569 1 28 CYS H 1 28 CYS QB 0.000 . 3.390 2.451 2.366 2.561 . 0 0 "[ . 1 . 2]" 1
570 1 28 CYS H 1 28 CYS HB3 0.000 . 3.600 3.301 3.206 3.396 . 0 0 "[ . 1 . 2]" 1
571 1 28 CYS HA 1 29 ASN H 0.000 . 2.900 2.232 2.006 2.337 . 0 0 "[ . 1 . 2]" 1
572 1 28 CYS HA 1 29 ASN HA 0.000 . 5.300 4.447 4.379 4.493 . 0 0 "[ . 1 . 2]" 1
573 1 28 CYS HA 1 29 ASN QB 0.000 . 6.980 4.055 3.828 4.188 . 0 0 "[ . 1 . 2]" 1
574 1 28 CYS QB 1 30 CYS H 2.620 2.620 1002.620 4.109 3.424 4.595 . 0 0 "[ . 1 . 2]" 1
575 1 28 CYS QB 1 37 ASP QB 0.000 . 7.350 5.229 3.910 5.848 . 0 0 "[ . 1 . 2]" 1
576 1 28 CYS QB 1 38 ARG HA 0.000 . 5.020 3.189 2.873 3.416 . 0 0 "[ . 1 . 2]" 1
577 1 28 CYS QB 1 39 CYS H 0.000 . 8.380 5.103 4.844 5.359 . 0 0 "[ . 1 . 2]" 1
578 1 28 CYS QB 1 39 CYS QB 0.000 . 6.650 5.103 4.903 5.260 . 0 0 "[ . 1 . 2]" 1
579 1 28 CYS HB2 1 38 ARG HA 0.000 . 5.700 3.482 3.202 3.764 . 0 0 "[ . 1 . 2]" 1
580 1 28 CYS HB2 1 39 CYS H 0.000 . 9.000 6.097 5.830 6.374 . 0 0 "[ . 1 . 2]" 1
581 1 28 CYS HB3 1 38 ARG HA 0.000 . 5.700 3.707 3.190 3.974 . 0 0 "[ . 1 . 2]" 1
582 1 28 CYS HB3 1 39 CYS H 0.000 . 9.000 5.476 5.177 5.763 . 0 0 "[ . 1 . 2]" 1
583 1 29 ASN H 1 29 ASN HB2 0.000 . 3.600 2.810 2.317 3.222 . 0 0 "[ . 1 . 2]" 1
584 1 29 ASN H 1 29 ASN QB 0.000 . 3.390 2.438 2.236 2.509 . 0 0 "[ . 1 . 2]" 1
585 1 29 ASN H 1 29 ASN HB3 0.000 . 3.600 2.755 2.477 3.057 . 0 0 "[ . 1 . 2]" 1
586 1 29 ASN H 1 30 CYS H 0.000 . 4.300 4.031 3.667 4.319 0.019 15 0 "[ . 1 . 2]" 1
587 1 29 ASN HA 1 30 CYS H 0.000 . 3.400 2.187 2.052 2.452 . 0 0 "[ . 1 . 2]" 1
588 1 29 ASN HA 1 30 CYS QB 0.000 . 5.880 4.474 4.276 4.690 . 0 0 "[ . 1 . 2]" 1
589 1 29 ASN HA 1 31 VAL HA 0.000 . 6.400 6.459 6.409 6.508 0.108 8 0 "[ . 1 . 2]" 1
590 1 29 ASN QB 1 30 CYS H 0.000 . 4.530 3.938 3.801 4.083 . 0 0 "[ . 1 . 2]" 1
591 1 29 ASN HB2 1 30 CYS H 0.000 . 5.000 4.551 4.295 4.737 . 0 0 "[ . 1 . 2]" 1
592 1 29 ASN HB3 1 30 CYS H 0.000 . 5.000 4.322 4.018 4.567 . 0 0 "[ . 1 . 2]" 1
593 1 30 CYS CB 1 39 CYS SG . 3.000 3.100 2.997 2.978 3.020 0.022 16 0 "[ . 1 . 2]" 1
594 1 30 CYS H 1 30 CYS HB2 0.000 . 3.800 2.574 2.446 2.729 . 0 0 "[ . 1 . 2]" 1
595 1 30 CYS H 1 30 CYS QB 0.000 . 3.500 2.516 2.405 2.645 . 0 0 "[ . 1 . 2]" 1
596 1 30 CYS H 1 30 CYS HB3 0.000 . 3.800 3.558 3.416 3.623 . 0 0 "[ . 1 . 2]" 1
597 1 30 CYS HA 1 31 VAL H 0.000 . 3.200 2.562 2.103 3.291 0.091 15 0 "[ . 1 . 2]" 1
598 1 30 CYS QB 1 31 VAL H 0.000 . 3.880 2.313 1.821 2.692 . 0 0 "[ . 1 . 2]" 1
599 1 30 CYS QB 1 31 VAL HB . 2.620 6.180 4.522 4.090 4.840 . 0 0 "[ . 1 . 2]" 1
600 1 30 CYS QB 1 31 VAL QG 0.000 . 8.940 3.081 2.663 3.240 . 0 0 "[ . 1 . 2]" 1
601 1 30 CYS QB 1 34 TYR H 0.000 . 6.480 3.717 3.552 3.822 . 0 0 "[ . 1 . 2]" 1
602 1 30 CYS QB 1 34 TYR HA 0.000 . 4.620 4.172 4.037 4.249 . 0 0 "[ . 1 . 2]" 1
603 1 30 CYS QB 1 34 TYR QB 0.000 . 5.420 2.013 1.885 2.110 . 0 0 "[ . 1 . 2]" 1
604 1 30 CYS QB 1 34 TYR QD 0.000 . 7.390 3.499 3.111 3.955 . 0 0 "[ . 1 . 2]" 1
605 1 30 CYS QB 1 37 ASP HA 2.620 2.620 1002.620 4.847 4.025 5.351 . 0 0 "[ . 1 . 2]" 1
606 1 30 CYS QB 1 39 CYS HA 0.000 . 5.840 2.858 2.693 3.139 . 0 0 "[ . 1 . 2]" 1
607 1 30 CYS QB 1 39 CYS QB 0.000 . 5.870 2.314 2.082 2.789 . 0 0 "[ . 1 . 2]" 1
608 1 30 CYS HB2 1 31 VAL H 0.000 . 4.400 3.162 1.978 3.763 . 0 0 "[ . 1 . 2]" 1
609 1 30 CYS HB2 1 34 TYR HA 0.000 . 4.800 4.895 4.872 4.909 0.109 20 0 "[ . 1 . 2]" 1
610 1 30 CYS HB2 1 34 TYR HB2 0.000 . 7.150 3.289 3.018 3.597 . 0 0 "[ . 1 . 2]" 1
611 1 30 CYS HB2 1 34 TYR HB3 0.000 . 7.150 4.366 4.146 4.654 . 0 0 "[ . 1 . 2]" 1
612 1 30 CYS HB2 1 34 TYR QD 0.000 . 8.200 5.039 4.686 5.462 . 0 0 "[ . 1 . 2]" 1
613 1 30 CYS HB2 1 39 CYS HA 0.000 . 6.000 3.486 3.286 3.704 . 0 0 "[ . 1 . 2]" 1
614 1 30 CYS HB2 1 39 CYS HB2 0.000 . 6.750 5.162 4.991 5.476 . 0 0 "[ . 1 . 2]" 1
615 1 30 CYS HB2 1 39 CYS HB3 0.000 . 6.750 3.817 3.589 4.358 . 0 0 "[ . 1 . 2]" 1
616 1 30 CYS HB3 1 31 VAL H 0.000 . 4.400 2.411 2.048 2.765 . 0 0 "[ . 1 . 2]" 1
617 1 30 CYS HB3 1 34 TYR HA 0.000 . 4.800 4.525 4.295 4.680 . 0 0 "[ . 1 . 2]" 1
618 1 30 CYS HB3 1 34 TYR HB2 0.000 . 7.150 2.056 1.912 2.153 . 0 0 "[ . 1 . 2]" 1
619 1 30 CYS HB3 1 34 TYR HB3 0.000 . 7.150 3.295 3.091 3.430 . 0 0 "[ . 1 . 2]" 1
620 1 30 CYS HB3 1 34 TYR QD 0.000 . 8.200 3.570 3.158 4.058 . 0 0 "[ . 1 . 2]" 1
621 1 30 CYS HB3 1 39 CYS HA 0.000 . 6.000 3.041 2.823 3.398 . 0 0 "[ . 1 . 2]" 1
622 1 30 CYS HB3 1 39 CYS HB2 0.000 . 6.750 3.863 3.666 4.218 . 0 0 "[ . 1 . 2]" 1
623 1 30 CYS HB3 1 39 CYS HB3 0.000 . 6.750 2.358 2.109 2.876 . 0 0 "[ . 1 . 2]" 1
624 1 30 CYS SG 1 39 CYS CB . 3.000 3.100 3.005 2.987 3.046 0.013 20 0 "[ . 1 . 2]" 1
625 1 30 CYS SG 1 39 CYS SG . . 2.100 2.029 2.026 2.032 . 0 0 "[ . 1 . 2]" 1
626 1 31 VAL H 1 31 VAL HA 0.000 . 2.900 2.853 2.772 2.943 0.043 5 0 "[ . 1 . 2]" 1
627 1 31 VAL H 1 31 VAL HB 0.000 . 3.400 2.650 2.195 3.366 . 0 0 "[ . 1 . 2]" 1
628 1 31 VAL H 1 34 TYR H 0.000 . 4.000 3.422 2.683 3.992 . 0 0 "[ . 1 . 2]" 1
629 1 31 VAL H 1 34 TYR QB 0.000 . 5.980 2.722 2.476 3.141 . 0 0 "[ . 1 . 2]" 1
630 1 31 VAL H 1 34 TYR QD 0.000 . 6.800 3.381 2.810 4.150 . 0 0 "[ . 1 . 2]" 1
631 1 31 VAL HA 1 32 ILE H 0.000 . 2.900 2.176 2.137 2.255 . 0 0 "[ . 1 . 2]" 1
632 1 31 VAL HA 1 32 ILE HB 0.000 . 4.700 4.672 4.557 4.739 0.039 15 0 "[ . 1 . 2]" 1
633 1 31 VAL HA 1 32 ILE MG 0.000 . 4.600 3.633 3.601 3.687 . 0 0 "[ . 1 . 2]" 1
634 1 31 VAL HB 1 32 ILE H 0.000 . 3.600 3.663 3.636 3.685 0.085 16 0 "[ . 1 . 2]" 1
635 1 31 VAL HB 1 33 GLY H 3.500 3.500 1003.500 4.014 3.923 4.190 . 0 0 "[ . 1 . 2]" 1
636 1 31 VAL HB 1 34 TYR HA 0.000 . 6.700 6.710 6.487 6.776 0.076 14 0 "[ . 1 . 2]" 1
637 1 31 VAL HB 1 34 TYR QB 0.000 . 6.980 4.332 4.108 4.570 . 0 0 "[ . 1 . 2]" 1
638 1 31 VAL HB 1 34 TYR QD 0.000 . 4.700 3.832 3.642 4.190 . 0 0 "[ . 1 . 2]" 1
639 1 31 VAL HB 1 34 TYR QE 0.000 . 6.600 4.453 4.132 4.762 . 0 0 "[ . 1 . 2]" 1
640 1 31 VAL QG 1 32 ILE HB 0.000 . 5.760 3.751 3.680 3.807 . 0 0 "[ . 1 . 2]" 1
641 1 31 VAL QG 1 33 GLY QA 0.000 . 4.760 2.525 2.290 2.908 . 0 0 "[ . 1 . 2]" 1
642 1 31 VAL QG 1 34 TYR QB 0.000 . 7.540 2.116 1.963 2.422 . 0 0 "[ . 1 . 2]" 1
643 1 31 VAL QG 1 34 TYR QD 0.000 . 5.380 2.209 2.118 2.318 . 0 0 "[ . 1 . 2]" 1
644 1 31 VAL QG 1 39 CYS QB 0.000 . 8.340 3.650 3.422 4.009 . 0 0 "[ . 1 . 2]" 1
645 1 31 VAL QG 1 42 ARG HA 0.000 . 6.960 4.403 4.237 4.534 . 0 0 "[ . 1 . 2]" 1
646 1 31 VAL QG 1 44 LEU HA 0.000 . 6.460 4.670 4.612 4.784 . 0 0 "[ . 1 . 2]" 1
647 1 31 VAL MG1 1 32 ILE H 0.000 . 5.600 3.491 3.332 3.674 . 0 0 "[ . 1 . 2]" 1
648 1 31 VAL MG1 1 32 ILE HA 0.000 . 5.900 4.675 4.517 4.865 . 0 0 "[ . 1 . 2]" 1
649 1 31 VAL MG1 1 33 GLY HA2 0.000 . 5.500 3.812 3.587 4.368 . 0 0 "[ . 1 . 2]" 1
650 1 31 VAL MG1 1 33 GLY HA3 0.000 . 5.500 2.688 2.366 3.304 . 0 0 "[ . 1 . 2]" 1
651 1 31 VAL MG1 1 34 TYR QD 0.000 . 5.800 2.216 2.123 2.325 . 0 0 "[ . 1 . 2]" 1
652 1 31 VAL MG1 1 34 TYR QE 0.000 . 5.900 2.731 2.605 2.920 . 0 0 "[ . 1 . 2]" 1
653 1 31 VAL MG2 1 32 ILE H 0.000 . 5.600 1.982 1.900 2.071 . 0 0 "[ . 1 . 2]" 1
654 1 31 VAL MG2 1 32 ILE HA 0.000 . 5.900 4.062 3.975 4.107 . 0 0 "[ . 1 . 2]" 1
655 1 31 VAL MG2 1 33 GLY HA2 0.000 . 5.500 4.348 4.323 4.372 . 0 0 "[ . 1 . 2]" 1
656 1 31 VAL MG2 1 33 GLY HA3 0.000 . 5.500 3.403 3.317 3.493 . 0 0 "[ . 1 . 2]" 1
657 1 31 VAL MG2 1 34 TYR QD 0.000 . 5.800 4.332 4.189 4.453 . 0 0 "[ . 1 . 2]" 1
658 1 31 VAL MG2 1 34 TYR QE 0.000 . 5.900 4.320 4.103 4.428 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE H 1 32 ILE HA 0.000 . 2.900 2.816 2.751 2.861 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE H 1 32 ILE HB 0.000 . 3.400 2.714 2.634 2.771 . 0 0 "[ . 1 . 2]" 1
661 1 32 ILE H 1 33 GLY H 0.000 . 4.200 2.638 2.482 2.818 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE HA 1 32 ILE HG12 0.000 . 3.800 3.614 3.451 3.874 0.074 1 0 "[ . 1 . 2]" 1
663 1 32 ILE HA 1 32 ILE HG13 0.000 . 3.800 2.702 2.544 3.274 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE HA 1 33 GLY QA 0.000 . 5.880 4.351 4.302 4.387 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE HA 1 34 TYR H 0.000 . 5.000 4.308 3.990 4.578 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE HA 1 34 TYR QD 0.000 . 9.700 6.926 6.760 7.139 . 0 0 "[ . 1 . 2]" 1
667 1 32 ILE HB 1 33 GLY H 0.000 . 4.100 4.132 4.119 4.145 0.045 17 0 "[ . 1 . 2]" 1
668 1 32 ILE QG 1 33 GLY H 0.000 . 5.340 3.594 3.394 3.758 . 0 0 "[ . 1 . 2]" 1
669 1 32 ILE QG 1 34 TYR QD 0.000 . 8.580 6.823 6.616 6.956 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE HG12 1 33 GLY H 0.000 . 5.800 3.925 3.711 4.695 . 0 0 "[ . 1 . 2]" 1
671 1 32 ILE HG13 1 33 GLY H 0.000 . 5.800 4.292 3.497 4.489 . 0 0 "[ . 1 . 2]" 1
672 1 32 ILE MG 1 33 GLY H 0.000 . 5.500 2.293 2.214 2.366 . 0 0 "[ . 1 . 2]" 1
673 1 32 ILE MG 1 33 GLY HA2 0.000 . 5.400 3.916 3.737 4.049 . 0 0 "[ . 1 . 2]" 1
674 1 32 ILE MG 1 33 GLY QA 0.000 . 5.480 3.303 3.216 3.383 . 0 0 "[ . 1 . 2]" 1
675 1 32 ILE MG 1 33 GLY HA3 0.000 . 5.400 3.559 3.447 3.631 . 0 0 "[ . 1 . 2]" 1
676 1 32 ILE MG 1 34 TYR H 0.000 . 5.500 4.407 4.242 4.445 . 0 0 "[ . 1 . 2]" 1
677 1 32 ILE MG 1 34 TYR QE 0.000 . 8.200 5.963 5.620 6.175 . 0 0 "[ . 1 . 2]" 1
678 1 33 GLY QA 1 34 TYR HA 0.000 . 4.750 4.127 4.027 4.205 . 0 0 "[ . 1 . 2]" 1
679 1 33 GLY QA 1 34 TYR QD 0.000 . 6.280 3.311 2.991 3.576 . 0 0 "[ . 1 . 2]" 1
680 1 33 GLY QA 1 34 TYR QE 0.000 . 8.280 3.803 3.399 4.354 . 0 0 "[ . 1 . 2]" 1
681 1 33 GLY QA 1 43 ASP H 0.000 . 4.280 3.839 3.670 3.899 . 0 0 "[ . 1 . 2]" 1
682 1 33 GLY QA 1 43 ASP QB 0.000 . 6.580 2.720 2.339 3.322 . 0 0 "[ . 1 . 2]" 1
683 1 33 GLY QA 1 44 LEU QB 0.000 . 7.780 4.867 4.321 5.467 . 0 0 "[ . 1 . 2]" 1
684 1 33 GLY QA 1 45 ARG QB 0.000 . 8.150 3.333 1.891 4.760 . 0 0 "[ . 1 . 2]" 1
685 1 33 GLY QA 1 45 ARG QG 0.000 . 7.750 3.938 2.004 5.592 . 0 0 "[ . 1 . 2]" 1
686 1 33 GLY HA2 1 34 TYR HA 0.000 . 5.300 4.624 4.554 4.730 . 0 0 "[ . 1 . 2]" 1
687 1 33 GLY HA2 1 43 ASP HB2 0.000 . 7.650 4.376 3.610 5.241 . 0 0 "[ . 1 . 2]" 1
688 1 33 GLY HA2 1 43 ASP HB3 0.000 . 7.650 2.812 2.393 3.518 . 0 0 "[ . 1 . 2]" 1
689 1 33 GLY HA3 1 34 TYR HA 0.000 . 5.300 4.644 4.441 4.757 . 0 0 "[ . 1 . 2]" 1
690 1 33 GLY HA3 1 43 ASP HB2 0.000 . 7.650 5.516 4.717 6.025 . 0 0 "[ . 1 . 2]" 1
691 1 33 GLY HA3 1 43 ASP HB3 0.000 . 7.650 4.016 3.523 4.507 . 0 0 "[ . 1 . 2]" 1
692 1 34 TYR H 1 34 TYR QB 0.000 . 3.700 2.774 2.593 2.987 . 0 0 "[ . 1 . 2]" 1
693 1 34 TYR H 1 34 TYR QE 0.000 . 7.000 4.873 4.484 5.277 . 0 0 "[ . 1 . 2]" 1
694 1 34 TYR H 1 35 SER H 0.000 . 5.000 4.260 4.036 4.493 . 0 0 "[ . 1 . 2]" 1
695 1 34 TYR H 1 42 ARG HA 0.000 . 4.400 4.445 4.407 4.488 0.088 18 0 "[ . 1 . 2]" 1
696 1 34 TYR H 1 43 ASP H 0.000 . 4.200 4.279 4.233 4.329 0.129 2 0 "[ . 1 . 2]" 1
697 1 34 TYR HA 1 35 SER H 0.000 . 2.900 2.148 2.102 2.281 . 0 0 "[ . 1 . 2]" 1
698 1 34 TYR HA 1 35 SER HA 0.000 . 4.900 4.354 4.294 4.441 . 0 0 "[ . 1 . 2]" 1
699 1 34 TYR HA 1 35 SER QB 0.000 . 6.100 4.056 3.881 4.660 . 0 0 "[ . 1 . 2]" 1
700 1 34 TYR HA 1 39 CYS HB2 0.000 . 6.000 5.528 5.295 5.797 . 0 0 "[ . 1 . 2]" 1
701 1 34 TYR HA 1 39 CYS QB 0.000 . 5.790 4.162 4.061 4.380 . 0 0 "[ . 1 . 2]" 1
702 1 34 TYR HA 1 39 CYS HB3 0.000 . 6.000 4.305 4.208 4.533 . 0 0 "[ . 1 . 2]" 1
703 1 34 TYR HA 1 41 THR HA 0.000 . 6.200 5.236 5.126 5.650 . 0 0 "[ . 1 . 2]" 1
704 1 34 TYR HA 1 41 THR HB 0.000 . 5.800 5.885 5.842 5.918 0.118 4 0 "[ . 1 . 2]" 1
705 1 34 TYR HA 1 41 THR MG 0.000 . 5.000 3.495 3.159 3.716 . 0 0 "[ . 1 . 2]" 1
706 1 34 TYR HA 1 42 ARG HA 0.000 . 2.900 2.030 1.918 2.163 . 0 0 "[ . 1 . 2]" 1
707 1 34 TYR HA 1 42 ARG QB 0.000 . 6.980 4.063 3.906 4.196 . 0 0 "[ . 1 . 2]" 1
708 1 34 TYR HA 1 42 ARG HG2 0.000 . 5.700 4.061 3.468 4.760 . 0 0 "[ . 1 . 2]" 1
709 1 34 TYR HA 1 42 ARG HG3 0.000 . 5.700 4.905 3.191 5.662 . 0 0 "[ . 1 . 2]" 1
710 1 34 TYR HA 1 43 ASP HA 0.000 . 5.800 5.018 4.901 5.198 . 0 0 "[ . 1 . 2]" 1
711 1 34 TYR HA 1 43 ASP HB2 0.000 . 6.900 4.186 3.667 4.667 . 0 0 "[ . 1 . 2]" 1
712 1 34 TYR HA 1 43 ASP QB . 2.620 6.600 3.703 3.497 3.945 . 0 0 "[ . 1 . 2]" 1
713 1 34 TYR HA 1 43 ASP HB3 0.000 . 6.900 4.190 3.781 4.702 . 0 0 "[ . 1 . 2]" 1
714 1 34 TYR QB 1 39 CYS HA 0.000 . 4.780 2.283 2.104 2.716 . 0 0 "[ . 1 . 2]" 1
715 1 34 TYR QB 1 39 CYS QB 0.000 . 4.500 1.865 1.805 1.932 . 0 0 "[ . 1 . 2]" 1
716 1 34 TYR HB2 1 39 CYS HB2 0.000 . 5.650 3.821 3.720 4.028 . 0 0 "[ . 1 . 2]" 1
717 1 34 TYR HB2 1 39 CYS HB3 0.000 . 5.650 2.133 2.033 2.299 . 0 0 "[ . 1 . 2]" 1
718 1 34 TYR HB3 1 39 CYS HB2 0.000 . 5.650 3.262 3.070 3.495 . 0 0 "[ . 1 . 2]" 1
719 1 34 TYR HB3 1 39 CYS HB3 0.000 . 5.650 2.107 1.989 2.363 . 0 0 "[ . 1 . 2]" 1
720 1 34 TYR QD 1 39 CYS QB 0.000 . 8.780 2.726 2.545 3.023 . 0 0 "[ . 1 . 2]" 1
721 1 34 TYR QD 1 42 ARG H 0.000 . 9.100 4.622 4.496 4.812 . 0 0 "[ . 1 . 2]" 1
722 1 34 TYR QD 1 42 ARG HA 0.000 . 5.600 1.953 1.845 2.234 . 0 0 "[ . 1 . 2]" 1
723 1 34 TYR QD 1 42 ARG HB2 0.000 . 7.800 3.898 3.574 4.356 . 0 0 "[ . 1 . 2]" 1
724 1 34 TYR QD 1 42 ARG QB 0.000 . 7.550 2.570 2.209 3.116 . 0 0 "[ . 1 . 2]" 1
725 1 34 TYR QD 1 42 ARG HB3 0.000 . 7.800 2.610 2.225 3.192 . 0 0 "[ . 1 . 2]" 1
726 1 34 TYR QD 1 42 ARG QG 0.000 . 7.780 3.396 2.445 4.020 . 0 0 "[ . 1 . 2]" 1
727 1 34 TYR QE 1 39 CYS QB 0.000 . 11.080 4.626 4.436 4.919 . 0 0 "[ . 1 . 2]" 1
728 1 34 TYR QE 1 42 ARG HA 0.000 . 5.400 3.888 3.670 4.083 . 0 0 "[ . 1 . 2]" 1
729 1 34 TYR QE 1 42 ARG HB2 0.000 . 6.000 4.214 3.652 4.482 . 0 0 "[ . 1 . 2]" 1
730 1 34 TYR QE 1 42 ARG QB 0.000 . 5.410 2.787 2.402 3.338 . 0 0 "[ . 1 . 2]" 1
731 1 34 TYR QE 1 42 ARG HB3 0.000 . 6.000 2.833 2.424 3.453 . 0 0 "[ . 1 . 2]" 1
732 1 34 TYR QE 1 42 ARG QD 0.000 . 5.800 4.025 3.168 4.838 . 0 0 "[ . 1 . 2]" 1
733 1 34 TYR QE 1 42 ARG QG 0.000 . 5.980 4.279 3.043 4.846 . 0 0 "[ . 1 . 2]" 1
734 1 35 SER H 1 36 GLY H 0.000 . 5.000 4.048 3.855 4.359 . 0 0 "[ . 1 . 2]" 1
735 1 35 SER H 1 39 CYS HA 0.000 . 3.200 3.162 2.962 3.237 0.037 2 0 "[ . 1 . 2]" 1
736 1 35 SER H 1 39 CYS HB2 3.500 3.500 1003.500 5.951 5.752 6.064 . 0 0 "[ . 1 . 2]" 1
737 1 35 SER H 1 39 CYS HB3 3.500 3.500 1003.500 4.929 4.609 5.095 . 0 0 "[ . 1 . 2]" 1
738 1 35 SER H 1 40 GLN QE 0.000 . 5.570 4.433 3.511 4.724 . 0 0 "[ . 1 . 2]" 1
739 1 35 SER H 1 41 THR HB 0.000 . 4.500 4.516 4.449 4.558 0.058 12 0 "[ . 1 . 2]" 1
740 1 35 SER H 1 41 THR MG 0.000 . 6.200 1.968 1.858 2.069 . 0 0 "[ . 1 . 2]" 1
741 1 35 SER H 1 42 ARG H 0.000 . 5.800 4.857 4.160 4.995 . 0 0 "[ . 1 . 2]" 1
742 1 35 SER H 1 43 ASP H 0.000 . 3.700 3.353 3.210 3.536 . 0 0 "[ . 1 . 2]" 1
743 1 35 SER HA 1 36 GLY H 0.000 . 3.100 2.979 2.639 3.109 0.009 5 0 "[ . 1 . 2]" 1
744 1 35 SER HA 1 43 ASP H 0.000 . 6.000 6.003 5.835 6.075 0.075 4 0 "[ . 1 . 2]" 1
745 1 35 SER QB 1 36 GLY H 0.000 . 4.400 2.254 1.813 2.372 . 0 0 "[ . 1 . 2]" 1
746 1 35 SER QB 1 39 CYS H 2.620 2.620 1002.620 5.340 5.145 5.621 . 0 0 "[ . 1 . 2]" 1
747 1 35 SER QB 1 40 GLN H 2.620 2.620 1002.620 5.851 5.564 6.024 . 0 0 "[ . 1 . 2]" 1
748 1 35 SER QB 1 40 GLN QE 0.000 . 9.770 4.651 3.456 5.190 . 0 0 "[ . 1 . 2]" 1
749 1 35 SER QB 1 41 THR H 2.620 2.620 1002.620 5.055 4.813 5.334 . 0 0 "[ . 1 . 2]" 1
750 1 35 SER QB 1 41 THR MG 0.000 . 6.900 2.425 2.105 2.748 . 0 0 "[ . 1 . 2]" 1
751 1 35 SER QB 1 43 ASP HA 0.000 . 7.600 6.191 5.778 6.562 . 0 0 "[ . 1 . 2]" 1
752 1 36 GLY H 1 37 ASP H 0.000 . 3.800 2.928 2.728 3.258 . 0 0 "[ . 1 . 2]" 1
753 1 36 GLY QA 1 37 ASP H 0.000 . 3.170 2.729 2.305 2.941 . 0 0 "[ . 1 . 2]" 1
754 1 36 GLY QA 1 37 ASP QB 0.000 . 5.750 3.700 3.549 3.908 . 0 0 "[ . 1 . 2]" 1
755 1 36 GLY QA 1 40 GLN H 0.000 . 5.680 4.093 3.811 4.524 . 0 0 "[ . 1 . 2]" 1
756 1 37 ASP H 1 37 ASP HA 0.000 . 2.900 2.458 2.295 2.625 . 0 0 "[ . 1 . 2]" 1
757 1 37 ASP H 1 37 ASP QB 0.000 . 3.720 3.272 3.113 3.396 . 0 0 "[ . 1 . 2]" 1
758 1 37 ASP H 1 39 CYS H 0.000 . 4.900 3.048 2.503 4.433 . 0 0 "[ . 1 . 2]" 1
759 1 37 ASP H 1 40 GLN HE21 0.000 . 5.100 3.210 2.195 4.254 . 0 0 "[ . 1 . 2]" 1
760 1 37 ASP H 1 40 GLN QE 0.000 . 4.500 3.042 2.057 4.023 . 0 0 "[ . 1 . 2]" 1
761 1 37 ASP H 1 40 GLN HE22 0.000 . 5.100 3.870 2.481 5.145 0.045 2 0 "[ . 1 . 2]" 1
762 1 37 ASP HA 1 39 CYS H 0.000 . 4.400 4.320 3.950 4.425 0.025 11 0 "[ . 1 . 2]" 1
763 1 37 ASP QB 1 38 ARG HA 0.000 . 6.480 4.356 4.078 4.645 . 0 0 "[ . 1 . 2]" 1
764 1 37 ASP QB 1 38 ARG QG 0.000 . 6.370 4.437 4.088 4.781 . 0 0 "[ . 1 . 2]" 1
765 1 37 ASP QB 1 39 CYS H 0.000 . 6.680 4.812 4.616 4.957 . 0 0 "[ . 1 . 2]" 1
766 1 37 ASP QB 1 40 GLN QG 0.000 . 6.350 5.070 4.900 5.157 . 0 0 "[ . 1 . 2]" 1
767 1 37 ASP HB2 1 38 ARG HG2 0.000 . 7.450 6.356 4.859 7.074 . 0 0 "[ . 1 . 2]" 1
768 1 37 ASP HB2 1 38 ARG HG3 0.000 . 7.450 6.547 5.504 7.430 . 0 0 "[ . 1 . 2]" 1
769 1 37 ASP HB3 1 38 ARG HG2 0.000 . 7.450 5.163 4.823 5.527 . 0 0 "[ . 1 . 2]" 1
770 1 37 ASP HB3 1 38 ARG HG3 0.000 . 7.450 5.392 4.718 6.269 . 0 0 "[ . 1 . 2]" 1
771 1 38 ARG H 1 38 ARG HB2 0.000 . 4.100 2.711 2.485 2.897 . 0 0 "[ . 1 . 2]" 1
772 1 38 ARG H 1 38 ARG QB 0.000 . 3.760 2.540 2.389 2.615 . 0 0 "[ . 1 . 2]" 1
773 1 38 ARG H 1 38 ARG HB3 0.000 . 4.100 3.088 2.958 3.310 . 0 0 "[ . 1 . 2]" 1
774 1 38 ARG H 1 38 ARG HG2 0.000 . 4.900 4.367 4.239 4.446 . 0 0 "[ . 1 . 2]" 1
775 1 38 ARG H 1 38 ARG QG 0.000 . 4.430 4.042 3.973 4.087 . 0 0 "[ . 1 . 2]" 1
776 1 38 ARG H 1 38 ARG HG3 0.000 . 4.900 4.771 4.706 4.847 . 0 0 "[ . 1 . 2]" 1
777 1 38 ARG H 1 39 CYS H 0.000 . 2.900 1.753 1.656 1.842 . 0 0 "[ . 1 . 2]" 1
778 1 38 ARG H 1 39 CYS HA 0.000 . 3.800 3.906 3.860 3.930 0.130 5 0 "[ . 1 . 2]" 1
779 1 38 ARG H 1 40 GLN H 0.000 . 3.300 3.026 2.854 3.305 0.005 17 0 "[ . 1 . 2]" 1
780 1 38 ARG H 1 40 GLN HE21 0.000 . 6.400 2.398 1.775 3.839 . 0 0 "[ . 1 . 2]" 1
781 1 38 ARG H 1 40 GLN QE 0.000 . 5.550 2.238 1.589 3.759 . 0 0 "[ . 1 . 2]" 1
782 1 38 ARG H 1 40 GLN HE22 0.000 . 6.400 2.961 1.665 5.452 . 0 0 "[ . 1 . 2]" 1
783 1 38 ARG HA 1 39 CYS H 0.000 . 3.400 3.274 3.127 3.406 0.006 10 0 "[ . 1 . 2]" 1
784 1 38 ARG QB 1 38 ARG HE 0.000 . 4.280 3.279 2.970 3.919 . 0 0 "[ . 1 . 2]" 1
785 1 38 ARG QB 1 39 CYS QB 0.000 . 8.450 4.737 4.475 4.883 . 0 0 "[ . 1 . 2]" 1
786 1 38 ARG QB 1 40 GLN H . 2.620 5.480 2.876 2.678 3.003 . 0 0 "[ . 1 . 2]" 1
787 1 38 ARG QB 1 40 GLN HA 0.000 . 5.780 4.023 3.811 4.270 . 0 0 "[ . 1 . 2]" 1
788 1 38 ARG QB 1 40 GLN QB 0.000 . 5.780 2.267 2.043 2.726 . 0 0 "[ . 1 . 2]" 1
789 1 38 ARG HB2 1 38 ARG HE 0.000 . 4.700 4.139 3.692 4.754 0.054 2 0 "[ . 1 . 2]" 1
790 1 38 ARG HB2 1 39 CYS H 0.000 . 5.800 3.845 3.428 4.215 . 0 0 "[ . 1 . 2]" 1
791 1 38 ARG HB2 1 40 GLN HB2 0.000 . 7.150 5.164 4.989 5.528 . 0 0 "[ . 1 . 2]" 1
792 1 38 ARG HB2 1 40 GLN HB3 0.000 . 7.150 3.758 3.533 4.164 . 0 0 "[ . 1 . 2]" 1
793 1 38 ARG HB3 1 38 ARG HE 0.000 . 4.700 3.449 3.085 4.294 . 0 0 "[ . 1 . 2]" 1
794 1 38 ARG HB3 1 39 CYS H 0.000 . 5.800 3.438 2.974 3.738 . 0 0 "[ . 1 . 2]" 1
795 1 38 ARG HB3 1 40 GLN HB2 0.000 . 7.150 3.930 3.738 4.216 . 0 0 "[ . 1 . 2]" 1
796 1 38 ARG HB3 1 40 GLN HB3 0.000 . 7.150 2.307 2.064 2.812 . 0 0 "[ . 1 . 2]" 1
797 1 38 ARG QD 1 38 ARG QG 0.000 . 2.350 2.028 1.970 2.057 . 0 0 "[ . 1 . 2]" 1
798 1 38 ARG QD 1 42 ARG QD 0.000 . 8.680 6.609 5.956 6.833 . 0 0 "[ . 1 . 2]" 1
799 1 38 ARG HD2 1 38 ARG HG2 0.000 . 2.800 2.837 2.777 2.899 0.099 15 0 "[ . 1 . 2]" 1
800 1 38 ARG HD2 1 38 ARG HG3 0.000 . 2.800 2.823 2.677 2.870 0.070 2 0 "[ . 1 . 2]" 1
801 1 38 ARG HD3 1 38 ARG HG2 0.000 . 2.800 2.217 2.123 2.283 . 0 0 "[ . 1 . 2]" 1
802 1 38 ARG HD3 1 38 ARG HG3 0.000 . 2.800 2.810 2.766 2.872 0.072 15 0 "[ . 1 . 2]" 1
803 1 39 CYS H 1 39 CYS HA 0.000 . 2.900 2.227 2.206 2.266 . 0 0 "[ . 1 . 2]" 1
804 1 39 CYS H 1 40 GLN H 0.000 . 3.100 2.196 1.953 2.470 . 0 0 "[ . 1 . 2]" 1
805 1 39 CYS H 1 40 GLN QE 0.000 . 8.770 2.836 2.383 4.042 . 0 0 "[ . 1 . 2]" 1
806 1 39 CYS H 1 41 THR H 0.000 . 4.200 3.732 3.482 4.126 . 0 0 "[ . 1 . 2]" 1
807 1 39 CYS HA 1 40 GLN H 0.000 . 3.200 2.657 2.508 2.754 . 0 0 "[ . 1 . 2]" 1
808 1 39 CYS HA 1 40 GLN QB 0.000 . 5.780 5.031 4.954 5.202 . 0 0 "[ . 1 . 2]" 1
809 1 39 CYS QB 1 42 ARG QB 0.000 . 7.950 5.042 4.722 5.465 . 0 0 "[ . 1 . 2]" 1
810 1 39 CYS QB 1 42 ARG QD 0.000 . 6.680 4.135 3.451 4.734 . 0 0 "[ . 1 . 2]" 1
811 1 40 GLN H 1 40 GLN QB 0.000 . 3.550 2.748 2.600 3.003 . 0 0 "[ . 1 . 2]" 1
812 1 40 GLN H 1 40 GLN HG2 0.000 . 4.700 2.497 1.926 3.372 . 0 0 "[ . 1 . 2]" 1
813 1 40 GLN H 1 40 GLN QG 0.000 . 4.370 1.959 1.623 2.256 . 0 0 "[ . 1 . 2]" 1
814 1 40 GLN H 1 40 GLN HG3 0.000 . 4.700 2.921 1.630 3.682 . 0 0 "[ . 1 . 2]" 1
815 1 40 GLN H 1 41 THR H 0.000 . 2.900 2.115 2.022 2.419 . 0 0 "[ . 1 . 2]" 1
816 1 40 GLN HA 1 40 GLN QE 0.000 . 5.770 4.788 4.670 4.936 . 0 0 "[ . 1 . 2]" 1
817 1 40 GLN HA 1 41 THR H 0.000 . 3.400 3.306 3.139 3.411 0.011 2 0 "[ . 1 . 2]" 1
818 1 40 GLN QB 1 41 THR MG 0.000 . 6.280 4.491 4.042 4.660 . 0 0 "[ . 1 . 2]" 1
819 1 40 GLN HB2 1 41 THR H 0.000 . 4.600 3.880 3.412 4.243 . 0 0 "[ . 1 . 2]" 1
820 1 40 GLN HB3 1 41 THR H 0.000 . 4.600 4.068 3.910 4.350 . 0 0 "[ . 1 . 2]" 1
821 1 40 GLN QE 1 41 THR H 0.000 . 6.170 3.066 2.289 3.710 . 0 0 "[ . 1 . 2]" 1
822 1 40 GLN QE 1 41 THR HA 0.000 . 7.270 5.143 3.840 5.816 . 0 0 "[ . 1 . 2]" 1
823 1 40 GLN QE 1 41 THR HB 0.000 . 7.370 3.522 1.983 4.559 . 0 0 "[ . 1 . 2]" 1
824 1 40 GLN QG 1 41 THR H 0.000 . 4.040 2.373 1.871 3.542 . 0 0 "[ . 1 . 2]" 1
825 1 40 GLN QG 1 41 THR HB 0.000 . 5.790 3.240 2.364 4.805 . 0 0 "[ . 1 . 2]" 1
826 1 40 GLN QG 1 41 THR MG 0.000 . 4.870 2.962 2.639 3.557 . 0 0 "[ . 1 . 2]" 1
827 1 40 GLN HG2 1 41 THR H 0.000 . 4.600 2.832 1.882 4.505 . 0 0 "[ . 1 . 2]" 1
828 1 40 GLN HG2 1 41 THR HB 0.000 . 6.200 3.604 2.432 5.416 . 0 0 "[ . 1 . 2]" 1
829 1 40 GLN HG2 1 41 THR MG 0.000 . 5.100 3.362 2.675 4.235 . 0 0 "[ . 1 . 2]" 1
830 1 40 GLN HG3 1 41 THR H 0.000 . 4.600 3.404 2.147 4.153 . 0 0 "[ . 1 . 2]" 1
831 1 40 GLN HG3 1 41 THR HB 0.000 . 6.200 3.843 2.990 5.516 . 0 0 "[ . 1 . 2]" 1
832 1 40 GLN HG3 1 41 THR MG 0.000 . 5.100 3.807 2.933 4.181 . 0 0 "[ . 1 . 2]" 1
833 1 41 THR H 1 41 THR HB 0.000 . 3.400 2.933 2.622 3.303 . 0 0 "[ . 1 . 2]" 1
834 1 41 THR HA 1 42 ARG H 0.000 . 2.900 2.244 2.137 2.956 0.056 4 0 "[ . 1 . 2]" 1
835 1 41 THR HA 1 42 ARG QB 0.000 . 6.780 4.504 4.242 4.952 . 0 0 "[ . 1 . 2]" 1
836 1 41 THR HB 1 42 ARG H 0.000 . 4.500 4.513 4.477 4.535 0.035 11 0 "[ . 1 . 2]" 1
837 1 41 THR MG 1 43 ASP HA 0.000 . 6.000 4.858 4.760 4.987 . 0 0 "[ . 1 . 2]" 1
838 1 41 THR MG 1 43 ASP QB 0.000 . 5.780 3.621 3.155 3.879 . 0 0 "[ . 1 . 2]" 1
839 1 42 ARG H 1 42 ARG HB2 0.000 . 3.400 2.616 2.278 3.430 0.030 4 0 "[ . 1 . 2]" 1
840 1 42 ARG H 1 42 ARG HB3 0.000 . 3.400 3.500 3.448 3.535 0.135 16 0 "[ . 1 . 2]" 1
841 1 42 ARG H 1 42 ARG HG2 0.000 . 5.500 2.912 2.046 4.153 . 0 0 "[ . 1 . 2]" 1
842 1 42 ARG H 1 42 ARG QG 0.000 . 5.040 2.033 1.758 3.283 . 0 0 "[ . 1 . 2]" 1
843 1 42 ARG H 1 42 ARG HG3 0.000 . 5.500 2.107 1.769 3.440 . 0 0 "[ . 1 . 2]" 1
844 1 42 ARG H 1 43 ASP H 0.000 . 4.700 3.919 3.781 4.080 . 0 0 "[ . 1 . 2]" 1
845 1 42 ARG HA 1 42 ARG HG2 0.000 . 3.800 2.655 2.333 3.307 . 0 0 "[ . 1 . 2]" 1
846 1 42 ARG HA 1 42 ARG QG 0.000 . 3.310 2.495 2.048 2.863 . 0 0 "[ . 1 . 2]" 1
847 1 42 ARG HA 1 42 ARG HG3 0.000 . 3.800 3.282 2.068 3.813 0.013 10 0 "[ . 1 . 2]" 1
848 1 42 ARG HA 1 43 ASP HA 0.000 . 5.000 4.382 4.290 4.497 . 0 0 "[ . 1 . 2]" 1
849 1 42 ARG HA 1 44 LEU H 0.000 . 4.300 3.318 2.986 4.121 . 0 0 "[ . 1 . 2]" 1
850 1 42 ARG QB 1 44 LEU HA 0.000 . 4.280 3.773 3.494 3.921 . 0 0 "[ . 1 . 2]" 1
851 1 42 ARG QD 1 43 ASP H 0.000 . 6.700 5.798 5.066 6.012 . 0 0 "[ . 1 . 2]" 1
852 1 42 ARG QD 1 44 LEU QD 0.000 . 8.170 4.475 2.975 5.329 . 0 0 "[ . 1 . 2]" 1
853 1 42 ARG HE 1 42 ARG HG2 0.000 . 4.200 3.655 2.575 4.242 0.042 2 0 "[ . 1 . 2]" 1
854 1 42 ARG HE 1 42 ARG HG3 0.000 . 4.200 3.149 2.436 3.847 . 0 0 "[ . 1 . 2]" 1
855 1 42 ARG QG 1 43 ASP H 0.000 . 4.930 4.304 3.996 4.512 . 0 0 "[ . 1 . 2]" 1
856 1 42 ARG QG 1 43 ASP HA 0.000 . 6.260 5.684 5.598 5.739 . 0 0 "[ . 1 . 2]" 1
857 1 42 ARG QG 1 44 LEU H 0.000 . 6.280 4.933 4.318 5.211 . 0 0 "[ . 1 . 2]" 1
858 1 42 ARG HG2 1 43 ASP H 0.000 . 5.300 4.713 4.347 5.217 . 0 0 "[ . 1 . 2]" 1
859 1 42 ARG HG2 1 43 ASP HA 0.000 . 6.800 6.519 6.252 6.757 . 0 0 "[ . 1 . 2]" 1
860 1 42 ARG HG3 1 43 ASP H 0.000 . 5.300 5.053 4.149 5.329 0.029 10 0 "[ . 1 . 2]" 1
861 1 42 ARG HG3 1 43 ASP HA 0.000 . 6.800 6.273 6.016 6.561 . 0 0 "[ . 1 . 2]" 1
862 1 43 ASP H 1 43 ASP QB 0.000 . 3.810 2.299 2.145 2.399 . 0 0 "[ . 1 . 2]" 1
863 1 43 ASP H 1 44 LEU H 0.000 . 4.300 2.699 2.364 3.557 . 0 0 "[ . 1 . 2]" 1
864 1 43 ASP H 1 44 LEU HA 0.000 . 5.000 4.690 4.587 4.918 . 0 0 "[ . 1 . 2]" 1
865 1 43 ASP HA 1 44 LEU H 0.000 . 3.400 3.076 2.352 3.363 . 0 0 "[ . 1 . 2]" 1
866 1 43 ASP HA 1 44 LEU HA 0.000 . 7.500 5.065 4.652 5.261 . 0 0 "[ . 1 . 2]" 1
867 1 43 ASP HA 1 44 LEU QB 0.000 . 6.500 4.113 3.773 4.610 . 0 0 "[ . 1 . 2]" 1
868 1 43 ASP HA 1 44 LEU QD 0.000 . 7.670 4.453 3.351 5.234 . 0 0 "[ . 1 . 2]" 1
869 1 43 ASP QB 1 44 LEU QB 0.000 . 8.580 4.798 4.454 5.612 . 0 0 "[ . 1 . 2]" 1
870 1 43 ASP QB 1 45 ARG QB 1.750 . 1001.750 4.340 2.777 5.495 . 0 0 "[ . 1 . 2]" 1
871 1 43 ASP QB 1 45 ARG QD 0.000 . 5.150 3.574 2.595 4.055 . 0 0 "[ . 1 . 2]" 1
872 1 44 LEU H 1 44 LEU HA 0.000 . 2.900 2.350 2.206 2.722 . 0 0 "[ . 1 . 2]" 1
873 1 44 LEU H 1 44 LEU MD1 0.000 . 5.500 3.853 2.036 4.657 . 0 0 "[ . 1 . 2]" 1
874 1 44 LEU H 1 44 LEU MD2 0.000 . 5.500 3.984 2.448 4.569 . 0 0 "[ . 1 . 2]" 1
875 1 44 LEU HA 1 45 ARG H 0.000 . 3.100 2.832 2.108 3.234 0.134 3 0 "[ . 1 . 2]" 1
876 1 44 LEU QB 1 45 ARG HA 0.000 . 5.400 4.164 3.920 4.372 . 0 0 "[ . 1 . 2]" 1
877 1 44 LEU QD 1 45 ARG HA 0.000 . 7.170 4.599 3.220 5.366 . 0 0 "[ . 1 . 2]" 1
878 1 45 ARG H 1 45 ARG HA 0.000 . 2.900 2.733 2.357 2.967 0.067 20 0 "[ . 1 . 2]" 1
879 1 45 ARG H 1 45 ARG QG 0.000 . 4.980 2.727 1.911 4.230 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, April 19, 2024 12:35:13 PM GMT (wattos1)