NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470796 |
1apq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1apq
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 477
_Distance_constraint_stats_list.Viol_count 555
_Distance_constraint_stats_list.Viol_total 1120.962
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0452
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.1063
_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 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 3 ASP 0.243 0.040 2 0 "[ . 1 . ]"
1 4 LEU 1.066 0.242 10 0 "[ . 1 . ]"
1 5 ASP 1.397 0.242 10 0 "[ . 1 . ]"
1 6 GLU 0.318 0.066 19 0 "[ . 1 . ]"
1 7 CYS 0.033 0.033 8 0 "[ . 1 . ]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 9 SER 0.008 0.008 14 0 "[ . 1 . ]"
1 10 ARG 0.057 0.050 9 0 "[ . 1 . ]"
1 11 SER 0.050 0.050 9 0 "[ . 1 . ]"
1 12 LYS 0.229 0.126 2 0 "[ . 1 . ]"
1 13 SER 0.926 0.128 15 0 "[ . 1 . ]"
1 14 GLY 0.698 0.128 15 0 "[ . 1 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLU 0.117 0.045 17 0 "[ . 1 . ]"
1 17 ASP 0.117 0.045 17 0 "[ . 1 . ]"
1 18 PRO 0.008 0.005 11 0 "[ . 1 . ]"
1 19 GLN 0.749 0.355 11 0 "[ . 1 . ]"
1 20 PRO 0.693 0.355 11 0 "[ . 1 . ]"
1 21 GLN 0.263 0.109 7 0 "[ . 1 . ]"
1 22 CYS 2.079 0.700 1 3 "[+- . 1* . ]"
1 23 GLN 9.550 0.726 2 10 "[*+ .*** *-* ** ]"
1 24 HIS 3.427 0.678 18 1 "[ . 1 . + ]"
1 25 LEU 2.157 0.182 5 0 "[ . 1 . ]"
1 26 CYS 1.757 0.139 10 0 "[ . 1 . ]"
1 27 HIS 2.902 0.902 12 1 "[ . 1 + . ]"
1 28 ASN 2.702 0.202 14 0 "[ . 1 . ]"
1 29 TYR 0.115 0.078 11 0 "[ . 1 . ]"
1 30 VAL 1.458 0.200 4 0 "[ . 1 . ]"
1 31 GLY 0.391 0.126 18 0 "[ . 1 . ]"
1 32 GLY 2.798 0.200 4 0 "[ . 1 . ]"
1 33 TYR 1.456 0.147 17 0 "[ . 1 . ]"
1 34 PHE 0.581 0.211 6 0 "[ . 1 . ]"
1 35 CYS 4.319 0.211 6 0 "[ . 1 . ]"
1 36 SER 3.814 0.902 12 1 "[ . 1 + . ]"
1 37 CYS 6.331 0.751 15 2 "[ . - 1 + ]"
1 38 ARG 1.256 0.678 18 1 "[ . 1 . + ]"
1 39 PRO 1.930 0.378 7 0 "[ . 1 . ]"
1 40 GLY 3.221 0.275 1 0 "[ . 1 . ]"
1 41 TYR 9.718 0.998 12 5 "[ . - 1*+ ** ]"
1 42 GLU 4.271 0.889 10 5 "[ * . - +** . ]"
1 43 LEU 3.819 0.328 4 0 "[ . 1 . ]"
1 44 GLN 6.748 0.889 10 5 "[ * . - +** . ]"
1 45 GLU 0.710 0.074 17 0 "[ . 1 . ]"
1 46 ASP 4.096 0.473 7 0 "[ . 1 . ]"
1 47 ARG 4.806 0.473 7 0 "[ . 1 . ]"
1 48 HIS 2.567 0.700 1 3 "[+- . 1* . ]"
1 49 SER 1.622 0.199 15 0 "[ . 1 . ]"
1 50 CYS 5.621 0.998 12 3 "[ . 1*+ .- ]"
1 51 GLN 0.925 0.106 16 0 "[ . 1 . ]"
1 52 ALA 0.127 0.045 9 0 "[ . 1 . ]"
1 53 GLU 0.428 0.054 6 0 "[ . 1 . ]"
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 VAL H 1 2 VAL HA 3.120 . 3.120 2.780 2.230 2.975 . 0 0 "[ . 1 . ]" 1
2 1 3 ASP H 1 4 LEU H 4.560 . 4.560 4.179 3.613 4.599 0.039 13 0 "[ . 1 . ]" 1
3 1 3 ASP HA 1 4 LEU H 2.600 . 2.600 2.492 2.233 2.640 0.040 2 0 "[ . 1 . ]" 1
4 1 4 LEU H 1 4 LEU MD1 3.360 . 4.360 3.608 1.926 4.388 0.028 1 0 "[ . 1 . ]" 1
5 1 4 LEU H 1 4 LEU MD2 4.560 . 5.560 2.709 1.922 4.207 . 0 0 "[ . 1 . ]" 1
6 1 4 LEU H 1 5 ASP H 4.560 . 4.560 4.207 2.661 4.646 0.086 5 0 "[ . 1 . ]" 1
7 1 4 LEU HA 1 5 ASP H 3.120 . 3.120 2.639 2.165 3.362 0.242 10 0 "[ . 1 . ]" 1
8 1 4 LEU QB 1 5 ASP H 3.360 . 4.360 2.712 1.822 3.981 . 0 0 "[ . 1 . ]" 1
9 1 4 LEU MD1 1 5 ASP H 4.560 . 5.560 3.983 2.685 4.650 . 0 0 "[ . 1 . ]" 1
10 1 4 LEU MD1 1 6 GLU H 6.000 . 7.000 5.362 4.028 6.856 . 0 0 "[ . 1 . ]" 1
11 1 4 LEU MD2 1 5 ASP H 4.560 . 5.560 4.044 3.095 4.520 . 0 0 "[ . 1 . ]" 1
12 1 5 ASP H 1 8 ALA MB 4.560 . 5.560 4.288 3.644 4.593 . 0 0 "[ . 1 . ]" 1
13 1 5 ASP HA 1 6 GLU H 2.600 . 2.600 2.333 2.089 2.666 0.066 19 0 "[ . 1 . ]" 1
14 1 5 ASP HA 1 7 CYS H 6.000 . 6.000 3.996 3.251 5.948 . 0 0 "[ . 1 . ]" 1
15 1 5 ASP HA 1 28 ASN HD21 4.560 . 4.560 3.671 2.341 4.676 0.116 14 0 "[ . 1 . ]" 1
16 1 5 ASP HA 1 28 ASN HD22 4.560 . 4.560 3.167 2.179 4.662 0.102 19 0 "[ . 1 . ]" 1
17 1 5 ASP HB2 1 6 GLU H 4.560 . 4.560 4.426 3.952 4.586 0.026 12 0 "[ . 1 . ]" 1
18 1 5 ASP HB2 1 8 ALA MB 5.400 . 6.400 3.744 2.012 5.898 . 0 0 "[ . 1 . ]" 1
19 1 5 ASP HB3 1 6 GLU H 4.560 . 4.560 4.409 3.957 4.594 0.034 6 0 "[ . 1 . ]" 1
20 1 6 GLU H 1 28 ASN HD21 6.000 . 6.000 4.373 2.871 6.060 0.060 19 0 "[ . 1 . ]" 1
21 1 6 GLU H 1 28 ASN HD22 6.000 . 6.000 3.705 1.994 5.897 . 0 0 "[ . 1 . ]" 1
22 1 6 GLU HA 1 7 CYS H 3.360 . 3.800 3.224 2.084 3.651 . 0 0 "[ . 1 . ]" 1
23 1 6 GLU HB2 1 33 TYR QD 4.560 . 6.560 3.397 2.234 6.148 . 0 0 "[ . 1 . ]" 1
24 1 6 GLU HB2 1 33 TYR QE 6.000 . 8.000 4.608 2.294 7.206 . 0 0 "[ . 1 . ]" 1
25 1 6 GLU HB3 1 7 CYS H 4.560 . 4.560 3.501 1.927 4.431 . 0 0 "[ . 1 . ]" 1
26 1 6 GLU HB3 1 33 TYR QD 4.560 . 6.560 3.483 2.259 5.956 . 0 0 "[ . 1 . ]" 1
27 1 6 GLU HB3 1 33 TYR QE 6.000 . 8.000 4.131 2.632 7.266 . 0 0 "[ . 1 . ]" 1
28 1 6 GLU HG2 1 33 TYR QD 4.560 . 6.560 4.700 2.938 6.257 . 0 0 "[ . 1 . ]" 1
29 1 6 GLU HG2 1 33 TYR QE 6.000 . 8.000 5.479 2.774 7.406 . 0 0 "[ . 1 . ]" 1
30 1 6 GLU HG3 1 33 TYR QD 4.560 . 6.560 4.646 3.356 6.153 . 0 0 "[ . 1 . ]" 1
31 1 6 GLU HG3 1 33 TYR QE 6.000 . 8.000 5.692 4.161 6.950 . 0 0 "[ . 1 . ]" 1
32 1 7 CYS H 1 8 ALA MB 4.560 . 5.560 4.320 2.573 4.573 . 0 0 "[ . 1 . ]" 1
33 1 7 CYS H 1 28 ASN HD21 6.000 . 6.000 4.704 2.432 6.033 0.033 8 0 "[ . 1 . ]" 1
34 1 7 CYS H 1 28 ASN HD22 6.000 . 6.000 3.659 2.452 5.104 . 0 0 "[ . 1 . ]" 1
35 1 7 CYS HA 1 8 ALA H 3.360 . 4.560 3.353 2.553 3.623 . 0 0 "[ . 1 . ]" 1
36 1 7 CYS HA 1 9 SER H 6.000 . 6.000 4.702 3.821 5.643 . 0 0 "[ . 1 . ]" 1
37 1 7 CYS QB 1 8 ALA H 4.560 . 5.560 3.016 2.307 4.054 . 0 0 "[ . 1 . ]" 1
38 1 7 CYS QB 1 9 SER H 6.000 . 7.000 4.907 3.351 6.288 . 0 0 "[ . 1 . ]" 1
39 1 7 CYS QB 1 28 ASN HD21 4.560 . 5.560 4.584 3.480 5.011 . 0 0 "[ . 1 . ]" 1
40 1 7 CYS QB 1 28 ASN HD22 4.560 . 5.560 3.716 2.007 5.119 . 0 0 "[ . 1 . ]" 1
41 1 8 ALA HA 1 9 SER H 3.360 . 3.800 3.396 2.110 3.628 . 0 0 "[ . 1 . ]" 1
42 1 8 ALA MB 1 9 SER H 3.360 . 4.360 2.573 1.987 3.732 . 0 0 "[ . 1 . ]" 1
43 1 8 ALA MB 1 10 ARG H 4.560 . 5.560 4.285 3.233 4.789 . 0 0 "[ . 1 . ]" 1
44 1 9 SER HA 1 10 ARG H 3.360 . 3.800 3.319 2.518 3.621 . 0 0 "[ . 1 . ]" 1
45 1 9 SER HB2 1 10 ARG H 4.560 . 4.560 3.368 2.386 4.485 . 0 0 "[ . 1 . ]" 1
46 1 9 SER HB3 1 10 ARG H 4.560 . 4.560 4.061 3.534 4.568 0.008 14 0 "[ . 1 . ]" 1
47 1 10 ARG H 1 11 SER H 4.560 . 4.560 3.595 2.535 4.610 0.050 9 0 "[ . 1 . ]" 1
48 1 10 ARG HA 1 11 SER H 3.360 . 3.800 2.918 2.276 3.630 . 0 0 "[ . 1 . ]" 1
49 1 10 ARG HB2 1 11 SER H 6.000 . 6.000 3.637 2.431 4.577 . 0 0 "[ . 1 . ]" 1
50 1 10 ARG HB3 1 11 SER H 6.000 . 6.000 3.779 1.905 4.473 . 0 0 "[ . 1 . ]" 1
51 1 10 ARG QD 1 11 SER H 6.000 . 7.000 5.236 4.004 6.169 . 0 0 "[ . 1 . ]" 1
52 1 10 ARG QD 1 33 TYR QE 4.560 . 7.560 4.231 2.263 6.001 . 0 0 "[ . 1 . ]" 1
53 1 10 ARG HG3 1 33 TYR QE 6.000 . 8.000 5.205 2.432 7.449 . 0 0 "[ . 1 . ]" 1
54 1 11 SER HA 1 12 LYS H 4.560 . 4.560 2.809 2.220 3.577 . 0 0 "[ . 1 . ]" 1
55 1 11 SER QB 1 12 LYS H 4.560 . 5.560 3.461 2.502 4.113 . 0 0 "[ . 1 . ]" 1
56 1 12 LYS HA 1 13 SER H 3.360 . 3.360 2.500 2.166 3.486 0.126 2 0 "[ . 1 . ]" 1
57 1 13 SER HA 1 14 GLY H 3.360 . 3.360 2.903 2.209 3.488 0.128 15 0 "[ . 1 . ]" 1
58 1 13 SER HB2 1 14 GLY H 4.560 . 4.560 3.713 2.263 4.530 . 0 0 "[ . 1 . ]" 1
59 1 13 SER HB3 1 14 GLY H 4.560 . 4.560 4.015 2.787 4.624 0.064 11 0 "[ . 1 . ]" 1
60 1 14 GLY H 1 15 GLU H 4.560 . 4.560 3.515 1.977 4.475 . 0 0 "[ . 1 . ]" 1
61 1 14 GLY QA 1 15 GLU H 2.600 . 3.600 2.500 2.072 2.853 . 0 0 "[ . 1 . ]" 1
62 1 15 GLU H 1 15 GLU QG 4.560 . 5.560 2.785 2.005 4.011 . 0 0 "[ . 1 . ]" 1
63 1 16 GLU H 1 16 GLU QG 4.560 . 5.560 2.953 2.218 4.289 . 0 0 "[ . 1 . ]" 1
64 1 16 GLU H 1 17 ASP H 4.560 . 4.560 3.636 2.613 4.588 0.028 17 0 "[ . 1 . ]" 1
65 1 16 GLU H 1 17 ASP HA 6.000 . 6.000 5.465 4.703 6.045 0.045 17 0 "[ . 1 . ]" 1
66 1 16 GLU HB2 1 17 ASP H 4.560 . 4.560 4.301 3.453 4.579 0.019 6 0 "[ . 1 . ]" 1
67 1 16 GLU HB3 1 17 ASP H 4.560 . 4.560 4.065 2.380 4.585 0.025 12 0 "[ . 1 . ]" 1
68 1 17 ASP H 1 18 PRO QB 4.560 . 5.560 4.834 4.480 5.182 . 0 0 "[ . 1 . ]" 1
69 1 17 ASP H 1 18 PRO QD 4.560 . 5.560 2.869 1.907 3.936 . 0 0 "[ . 1 . ]" 1
70 1 18 PRO HA 1 19 GLN H 2.600 . 2.600 2.431 2.246 2.605 0.005 11 0 "[ . 1 . ]" 1
71 1 19 GLN H 1 20 PRO HD2 6.000 . 6.000 4.593 2.771 5.302 . 0 0 "[ . 1 . ]" 1
72 1 19 GLN H 1 20 PRO HD3 6.000 . 6.000 4.272 2.355 5.095 . 0 0 "[ . 1 . ]" 1
73 1 19 GLN HA 1 20 PRO HD2 3.120 . 3.120 2.441 2.098 2.858 . 0 0 "[ . 1 . ]" 1
74 1 19 GLN HA 1 20 PRO HD3 3.120 . 3.120 2.512 2.095 3.146 0.026 13 0 "[ . 1 . ]" 1
75 1 19 GLN HB2 1 20 PRO HD2 4.500 . 4.500 3.671 2.148 4.855 0.355 11 0 "[ . 1 . ]" 1
76 1 19 GLN HB3 1 19 GLN HE21 4.560 . 4.560 3.614 2.045 4.608 0.048 13 0 "[ . 1 . ]" 1
77 1 19 GLN HB3 1 20 PRO HD2 6.000 . 6.000 3.546 2.221 4.901 . 0 0 "[ . 1 . ]" 1
78 1 21 GLN HA 1 22 CYS H 4.560 . 4.560 2.725 2.145 3.568 . 0 0 "[ . 1 . ]" 1
79 1 21 GLN HA 1 33 TYR QE 6.000 . 8.000 5.217 2.387 6.555 . 0 0 "[ . 1 . ]" 1
80 1 21 GLN HA 1 48 HIS HD2 4.560 . 4.560 4.130 2.735 4.632 0.072 4 0 "[ . 1 . ]" 1
81 1 21 GLN HB3 1 22 CYS H 4.560 . 4.560 3.619 1.922 4.669 0.109 7 0 "[ . 1 . ]" 1
82 1 21 GLN QG 1 33 TYR QE 4.560 . 7.560 4.907 3.068 6.015 . 0 0 "[ . 1 . ]" 1
83 1 21 GLN QG 1 48 HIS HD2 6.000 . 7.000 4.815 2.301 6.265 . 0 0 "[ . 1 . ]" 1
84 1 22 CYS HA 1 23 GLN H 3.360 . 3.360 2.323 2.075 2.600 . 0 0 "[ . 1 . ]" 1
85 1 22 CYS HA 1 48 HIS HA 6.000 . 6.000 2.765 2.246 4.059 . 0 0 "[ . 1 . ]" 1
86 1 22 CYS HA 1 48 HIS HB2 4.560 . 4.560 4.337 3.907 5.260 0.700 1 3 "[+- . 1* . ]" 1
87 1 22 CYS HA 1 48 HIS HB3 6.000 . 6.000 3.064 2.215 5.224 . 0 0 "[ . 1 . ]" 1
88 1 22 CYS HA 1 48 HIS HD2 4.560 . 4.560 3.278 2.337 4.583 0.023 2 0 "[ . 1 . ]" 1
89 1 22 CYS HB2 1 26 CYS HA 6.000 . 6.000 4.779 3.088 5.941 . 0 0 "[ . 1 . ]" 1
90 1 22 CYS HB2 1 35 CYS HA 6.000 . 6.000 5.072 4.246 5.942 . 0 0 "[ . 1 . ]" 1
91 1 22 CYS HB3 1 26 CYS HA 6.000 . 6.000 4.899 3.590 6.014 0.014 13 0 "[ . 1 . ]" 1
92 1 22 CYS HB3 1 35 CYS HA 6.000 . 6.000 4.921 3.515 6.053 0.053 7 0 "[ . 1 . ]" 1
93 1 23 GLN H 1 23 GLN HG2 3.360 . 3.800 4.115 2.436 4.526 0.726 2 9 "[*+ .*-* * * ** ]" 1
94 1 23 GLN H 1 24 HIS H 4.560 . 4.560 3.117 2.598 3.678 . 0 0 "[ . 1 . ]" 1
95 1 23 GLN H 1 24 HIS HD2 6.000 . 6.000 5.179 4.843 5.558 . 0 0 "[ . 1 . ]" 1
96 1 23 GLN H 1 48 HIS HA 4.560 . 4.560 3.659 3.375 4.476 . 0 0 "[ . 1 . ]" 1
97 1 23 GLN H 1 50 CYS H 6.000 . 6.000 4.248 3.650 5.188 . 0 0 "[ . 1 . ]" 1
98 1 23 GLN HA 1 24 HIS H 4.560 . 4.560 3.594 3.515 3.665 . 0 0 "[ . 1 . ]" 1
99 1 23 GLN HA 1 24 HIS HD2 6.000 . 6.000 4.055 3.054 4.424 . 0 0 "[ . 1 . ]" 1
100 1 23 GLN HA 1 50 CYS H 4.560 . 5.000 4.955 3.505 5.096 0.096 9 0 "[ . 1 . ]" 1
101 1 23 GLN HB2 1 23 GLN HE21 4.560 . 4.560 3.204 2.198 4.483 . 0 0 "[ . 1 . ]" 1
102 1 23 GLN HB2 1 23 GLN HE22 4.560 . 4.560 4.130 3.689 5.124 0.564 11 1 "[ . 1+ . ]" 1
103 1 23 GLN HB2 1 24 HIS H 4.560 . 4.560 3.437 2.605 4.034 . 0 0 "[ . 1 . ]" 1
104 1 23 GLN HB2 1 24 HIS HD2 4.560 . 4.560 3.994 2.269 4.588 0.028 10 0 "[ . 1 . ]" 1
105 1 23 GLN HB2 1 49 SER HA 4.560 . 4.560 2.661 2.166 4.579 0.019 5 0 "[ . 1 . ]" 1
106 1 23 GLN HB2 1 50 CYS H 5.000 . 5.000 2.564 2.121 2.981 . 0 0 "[ . 1 . ]" 1
107 1 23 GLN HB3 1 24 HIS H 4.560 . 4.560 2.745 2.258 3.683 . 0 0 "[ . 1 . ]" 1
108 1 23 GLN HB3 1 24 HIS HD2 4.560 . 4.560 2.856 2.107 4.026 . 0 0 "[ . 1 . ]" 1
109 1 23 GLN HB3 1 49 SER HA 4.560 . 4.560 3.694 2.168 4.567 0.007 4 0 "[ . 1 . ]" 1
110 1 23 GLN HB3 1 50 CYS H 4.560 . 4.560 2.853 2.432 3.562 . 0 0 "[ . 1 . ]" 1
111 1 23 GLN HE21 1 23 GLN HG2 3.360 . 3.800 3.051 2.271 3.609 . 0 0 "[ . 1 . ]" 1
112 1 23 GLN HE21 1 23 GLN HG3 3.360 . 3.800 2.885 2.137 3.663 . 0 0 "[ . 1 . ]" 1
113 1 23 GLN HG3 1 24 HIS HA 6.000 . 6.000 5.750 4.441 6.092 0.092 5 0 "[ . 1 . ]" 1
114 1 23 GLN HG3 1 50 CYS H 5.000 . 5.000 3.838 2.249 4.620 . 0 0 "[ . 1 . ]" 1
115 1 24 HIS H 1 24 HIS HD2 6.000 . 6.000 3.313 2.754 3.505 . 0 0 "[ . 1 . ]" 1
116 1 24 HIS H 1 25 LEU H 4.560 . 4.560 2.915 2.498 3.219 . 0 0 "[ . 1 . ]" 1
117 1 24 HIS H 1 37 CYS HA 4.560 . 4.560 4.321 4.032 4.574 0.014 14 0 "[ . 1 . ]" 1
118 1 24 HIS HA 1 24 HIS HD2 4.560 . 4.560 2.747 2.495 3.116 . 0 0 "[ . 1 . ]" 1
119 1 24 HIS HA 1 25 LEU H 4.560 . 4.560 3.611 3.523 3.654 . 0 0 "[ . 1 . ]" 1
120 1 24 HIS HA 1 25 LEU QD 6.000 . 7.000 4.433 3.703 5.158 . 0 0 "[ . 1 . ]" 1
121 1 24 HIS HA 1 37 CYS HA 6.000 . 6.000 4.864 4.622 5.131 . 0 0 "[ . 1 . ]" 1
122 1 24 HIS HB2 1 25 LEU H 3.120 . 3.120 2.099 1.917 2.240 . 0 0 "[ . 1 . ]" 1
123 1 24 HIS HB2 1 25 LEU QD 6.600 . 7.600 3.472 2.126 4.792 . 0 0 "[ . 1 . ]" 1
124 1 24 HIS HB2 1 25 LEU HG 6.600 . 6.600 4.045 2.667 5.859 . 0 0 "[ . 1 . ]" 1
125 1 24 HIS HB2 1 37 CYS HA 3.360 . 3.360 2.134 2.075 2.212 . 0 0 "[ . 1 . ]" 1
126 1 24 HIS HB2 1 37 CYS HB2 6.600 . 6.600 4.782 4.461 5.119 . 0 0 "[ . 1 . ]" 1
127 1 24 HIS HB2 1 37 CYS HB3 6.600 . 6.600 3.783 3.145 4.197 . 0 0 "[ . 1 . ]" 1
128 1 24 HIS HB2 1 38 ARG H 4.560 . 4.560 3.508 3.223 3.719 . 0 0 "[ . 1 . ]" 1
129 1 24 HIS HB3 1 25 LEU H 3.120 . 3.120 2.716 2.341 3.151 0.031 15 0 "[ . 1 . ]" 1
130 1 24 HIS HB3 1 37 CYS HA 3.360 . 3.360 2.765 2.313 3.376 0.016 8 0 "[ . 1 . ]" 1
131 1 24 HIS HB3 1 38 ARG H 4.560 . 4.560 3.122 2.689 3.676 . 0 0 "[ . 1 . ]" 1
132 1 24 HIS HD2 1 37 CYS HA 7.000 . 7.000 5.139 4.769 5.488 . 0 0 "[ . 1 . ]" 1
133 1 24 HIS HD2 1 49 SER HA 7.000 . 7.000 6.257 5.259 7.018 0.018 8 0 "[ . 1 . ]" 1
134 1 24 HIS HD2 1 50 CYS HB2 6.000 . 6.000 3.515 2.590 4.676 . 0 0 "[ . 1 . ]" 1
135 1 24 HIS HD2 1 50 CYS HB3 6.000 . 6.000 4.841 3.789 6.021 0.021 8 0 "[ . 1 . ]" 1
136 1 24 HIS HE1 1 37 CYS HA 6.000 . 6.000 4.531 4.092 5.185 . 0 0 "[ . 1 . ]" 1
137 1 24 HIS HE1 1 37 CYS HB2 4.560 . 4.560 4.532 3.990 5.036 0.476 6 0 "[ . 1 . ]" 1
138 1 24 HIS HE1 1 37 CYS HB3 6.000 . 6.000 2.966 2.380 3.411 . 0 0 "[ . 1 . ]" 1
139 1 24 HIS HE1 1 38 ARG HA 6.000 . 6.000 5.408 5.064 5.584 . 0 0 "[ . 1 . ]" 1
140 1 24 HIS HE1 1 38 ARG HB2 4.560 . 4.560 3.222 2.558 5.238 0.678 18 1 "[ . 1 . + ]" 1
141 1 24 HIS HE1 1 38 ARG HG2 6.000 . 6.000 5.056 2.330 5.981 . 0 0 "[ . 1 . ]" 1
142 1 24 HIS HE1 1 41 TYR HA 6.000 . 6.000 4.913 4.755 5.157 . 0 0 "[ . 1 . ]" 1
143 1 24 HIS HE1 1 41 TYR HB2 4.560 . 4.560 2.529 2.282 3.041 . 0 0 "[ . 1 . ]" 1
144 1 24 HIS HE1 1 41 TYR HB3 4.560 . 4.560 2.970 2.674 3.339 . 0 0 "[ . 1 . ]" 1
145 1 24 HIS HE1 1 41 TYR QD 3.120 . 5.120 2.878 2.706 3.000 . 0 0 "[ . 1 . ]" 1
146 1 24 HIS HE1 1 41 TYR QE 3.120 . 5.120 3.727 3.425 4.023 . 0 0 "[ . 1 . ]" 1
147 1 24 HIS HE1 1 50 CYS HA 6.000 . 6.000 5.927 5.321 6.138 0.138 8 0 "[ . 1 . ]" 1
148 1 24 HIS HE1 1 50 CYS HB2 4.560 . 4.560 3.811 3.358 4.394 . 0 0 "[ . 1 . ]" 1
149 1 24 HIS HE1 1 50 CYS HB3 4.560 . 4.560 3.513 2.920 3.874 . 0 0 "[ . 1 . ]" 1
150 1 24 HIS HE1 1 52 ALA MB 6.000 . 7.000 5.682 5.343 5.726 . 0 0 "[ . 1 . ]" 1
151 1 25 LEU H 1 25 LEU HG 4.560 . 4.560 3.066 2.209 4.432 . 0 0 "[ . 1 . ]" 1
152 1 25 LEU H 1 36 SER H 6.000 . 6.000 3.423 3.091 4.368 . 0 0 "[ . 1 . ]" 1
153 1 25 LEU H 1 37 CYS HA 3.120 . 3.120 3.208 3.090 3.302 0.182 5 0 "[ . 1 . ]" 1
154 1 25 LEU H 1 38 ARG H 6.000 . 6.000 4.989 4.742 5.341 . 0 0 "[ . 1 . ]" 1
155 1 25 LEU HB2 1 26 CYS H 4.560 . 4.560 2.576 2.128 4.425 . 0 0 "[ . 1 . ]" 1
156 1 25 LEU HB2 1 36 SER H 6.000 . 6.000 5.208 3.690 5.608 . 0 0 "[ . 1 . ]" 1
157 1 25 LEU HB3 1 26 CYS H 4.560 . 4.560 3.676 3.480 4.045 . 0 0 "[ . 1 . ]" 1
158 1 25 LEU HB3 1 36 SER H 6.000 . 6.000 5.696 3.095 6.137 0.137 17 0 "[ . 1 . ]" 1
159 1 25 LEU QD 1 26 CYS H 4.560 . 5.560 3.205 2.078 4.014 . 0 0 "[ . 1 . ]" 1
160 1 25 LEU QD 1 34 PHE QD 6.000 . 9.000 5.759 5.354 6.086 . 0 0 "[ . 1 . ]" 1
161 1 25 LEU QD 1 34 PHE QE 6.000 . 9.000 5.678 5.352 6.113 . 0 0 "[ . 1 . ]" 1
162 1 25 LEU QD 1 37 CYS HA 4.560 . 5.560 3.115 2.113 4.159 . 0 0 "[ . 1 . ]" 1
163 1 25 LEU QD 1 38 ARG H 4.560 . 5.560 3.809 3.047 4.331 . 0 0 "[ . 1 . ]" 1
164 1 25 LEU HG 1 36 SER H 6.000 . 6.000 4.816 3.893 6.012 0.012 10 0 "[ . 1 . ]" 1
165 1 25 LEU HG 1 37 CYS HA 6.000 . 6.000 3.903 2.541 5.526 . 0 0 "[ . 1 . ]" 1
166 1 25 LEU HG 1 38 ARG H 6.000 . 6.000 4.936 3.799 6.073 0.073 3 0 "[ . 1 . ]" 1
167 1 26 CYS H 1 26 CYS HA 3.000 . 3.000 2.959 2.908 2.993 . 0 0 "[ . 1 . ]" 1
168 1 26 CYS H 1 27 HIS H 6.000 . 6.000 4.412 4.067 4.577 . 0 0 "[ . 1 . ]" 1
169 1 26 CYS HA 1 27 HIS H 2.600 . 2.600 2.368 2.130 2.499 . 0 0 "[ . 1 . ]" 1
170 1 26 CYS HA 1 27 HIS HD2 4.560 . 4.560 3.584 2.722 4.566 0.006 16 0 "[ . 1 . ]" 1
171 1 26 CYS HA 1 35 CYS H 4.560 . 4.560 4.596 4.205 4.699 0.139 10 0 "[ . 1 . ]" 1
172 1 26 CYS HA 1 35 CYS HA 4.560 . 4.560 2.082 1.973 2.340 . 0 0 "[ . 1 . ]" 1
173 1 26 CYS HB2 1 27 HIS H 4.560 . 4.560 3.351 2.462 4.494 . 0 0 "[ . 1 . ]" 1
174 1 26 CYS HB3 1 27 HIS H 4.560 . 4.560 2.465 2.126 3.915 . 0 0 "[ . 1 . ]" 1
175 1 26 CYS HB3 1 35 CYS H 6.000 . 6.000 5.452 4.168 6.114 0.114 7 0 "[ . 1 . ]" 1
176 1 27 HIS H 1 33 TYR QD 6.000 . 8.000 3.978 3.037 4.754 . 0 0 "[ . 1 . ]" 1
177 1 27 HIS H 1 34 PHE H 6.000 . 6.000 2.897 2.629 3.630 . 0 0 "[ . 1 . ]" 1
178 1 27 HIS HA 1 28 ASN H 2.600 . 2.600 2.322 2.158 2.607 0.007 8 0 "[ . 1 . ]" 1
179 1 27 HIS HB2 1 28 ASN H 4.560 . 4.560 3.890 3.390 4.334 . 0 0 "[ . 1 . ]" 1
180 1 27 HIS HB2 1 34 PHE H 4.560 . 4.560 3.270 2.961 3.630 . 0 0 "[ . 1 . ]" 1
181 1 27 HIS HB2 1 34 PHE QD 6.000 . 8.000 3.239 3.106 3.465 . 0 0 "[ . 1 . ]" 1
182 1 27 HIS HB2 1 34 PHE QE 4.560 . 6.560 3.033 2.898 3.111 . 0 0 "[ . 1 . ]" 1
183 1 27 HIS HB3 1 28 ASN H 3.360 . 3.360 3.053 2.286 3.448 0.088 15 0 "[ . 1 . ]" 1
184 1 27 HIS HB3 1 34 PHE QD 6.000 . 8.000 4.252 3.815 4.685 . 0 0 "[ . 1 . ]" 1
185 1 27 HIS HB3 1 34 PHE QE 4.560 . 6.560 3.209 2.725 3.694 . 0 0 "[ . 1 . ]" 1
186 1 27 HIS HD2 1 34 PHE QD 4.560 . 6.560 3.238 2.688 4.756 . 0 0 "[ . 1 . ]" 1
187 1 27 HIS HD2 1 35 CYS H 6.000 . 6.000 4.340 3.266 5.455 . 0 0 "[ . 1 . ]" 1
188 1 27 HIS HD2 1 35 CYS HA 3.360 . 3.360 3.002 2.386 3.535 0.175 11 0 "[ . 1 . ]" 1
189 1 27 HIS HD2 1 36 SER H 4.560 . 4.560 3.822 2.966 4.287 . 0 0 "[ . 1 . ]" 1
190 1 27 HIS HD2 1 36 SER HA 6.000 . 6.000 4.799 4.363 5.325 . 0 0 "[ . 1 . ]" 1
191 1 27 HIS HD2 1 36 SER HB2 6.000 . 6.000 3.387 2.715 4.805 . 0 0 "[ . 1 . ]" 1
192 1 27 HIS HD2 1 36 SER HB3 4.560 . 4.560 4.217 2.683 5.462 0.902 12 1 "[ . 1 + . ]" 1
193 1 28 ASN H 1 28 ASN HD21 6.000 . 6.000 3.932 2.617 4.957 . 0 0 "[ . 1 . ]" 1
194 1 28 ASN H 1 28 ASN HD22 6.000 . 6.000 4.817 3.771 6.014 0.014 11 0 "[ . 1 . ]" 1
195 1 28 ASN HA 1 29 TYR H 2.600 . 2.600 2.319 2.240 2.432 . 0 0 "[ . 1 . ]" 1
196 1 28 ASN HA 1 29 TYR QD 4.560 . 6.560 3.429 2.862 4.053 . 0 0 "[ . 1 . ]" 1
197 1 28 ASN HA 1 29 TYR QE 6.000 . 8.000 5.290 4.669 6.094 . 0 0 "[ . 1 . ]" 1
198 1 28 ASN HA 1 33 TYR HA 3.360 . 3.360 2.259 2.037 2.893 . 0 0 "[ . 1 . ]" 1
199 1 28 ASN HA 1 33 TYR HB2 4.500 . 4.500 3.003 2.410 3.733 . 0 0 "[ . 1 . ]" 1
200 1 28 ASN HA 1 33 TYR QD 6.000 . 8.000 4.543 3.841 5.259 . 0 0 "[ . 1 . ]" 1
201 1 28 ASN HA 1 34 PHE H 4.560 . 4.560 3.603 3.213 3.937 . 0 0 "[ . 1 . ]" 1
202 1 28 ASN HA 1 34 PHE QE 6.000 . 8.000 4.970 3.643 5.613 . 0 0 "[ . 1 . ]" 1
203 1 28 ASN HB2 1 28 ASN HD21 3.360 . 3.360 2.748 2.199 3.562 0.202 14 0 "[ . 1 . ]" 1
204 1 28 ASN HB2 1 29 TYR H 4.560 . 4.560 3.843 3.435 4.420 . 0 0 "[ . 1 . ]" 1
205 1 28 ASN HB3 1 28 ASN HD21 3.360 . 3.360 2.966 2.253 3.550 0.190 16 0 "[ . 1 . ]" 1
206 1 28 ASN HB3 1 29 TYR H 3.360 . 3.360 2.789 2.176 3.438 0.078 11 0 "[ . 1 . ]" 1
207 1 29 TYR H 1 29 TYR QD 4.560 . 6.560 2.417 2.119 3.133 . 0 0 "[ . 1 . ]" 1
208 1 29 TYR H 1 32 GLY H 4.560 . 4.560 3.657 3.282 4.418 . 0 0 "[ . 1 . ]" 1
209 1 29 TYR H 1 33 TYR HA 3.360 . 3.360 2.969 2.562 3.379 0.019 17 0 "[ . 1 . ]" 1
210 1 29 TYR H 1 34 PHE H 6.000 . 6.000 4.928 4.410 5.221 . 0 0 "[ . 1 . ]" 1
211 1 29 TYR HA 1 30 VAL H 3.360 . 3.360 2.699 2.606 2.959 . 0 0 "[ . 1 . ]" 1
212 1 29 TYR HA 1 30 VAL MG2 6.000 . 7.000 5.088 3.719 5.598 . 0 0 "[ . 1 . ]" 1
213 1 29 TYR HB2 1 29 TYR QD 3.120 . 5.120 2.356 2.306 2.447 . 0 0 "[ . 1 . ]" 1
214 1 29 TYR HB2 1 29 TYR QE 4.560 . 6.560 4.410 4.377 4.435 . 0 0 "[ . 1 . ]" 1
215 1 29 TYR HB2 1 30 VAL H 4.560 . 4.560 2.277 2.064 2.586 . 0 0 "[ . 1 . ]" 1
216 1 29 TYR HB2 1 34 PHE QD 4.560 . 6.560 4.608 3.934 5.096 . 0 0 "[ . 1 . ]" 1
217 1 29 TYR HB2 1 34 PHE QE 4.560 . 6.560 3.817 3.518 4.407 . 0 0 "[ . 1 . ]" 1
218 1 29 TYR HB3 1 29 TYR QD 3.120 . 5.120 2.747 2.473 2.814 . 0 0 "[ . 1 . ]" 1
219 1 29 TYR HB3 1 29 TYR QE 4.560 . 6.560 4.546 4.444 4.597 . 0 0 "[ . 1 . ]" 1
220 1 29 TYR HB3 1 30 VAL H 4.560 . 4.560 3.753 3.601 3.919 . 0 0 "[ . 1 . ]" 1
221 1 29 TYR HB3 1 34 PHE QD 4.560 . 6.560 3.362 2.474 3.973 . 0 0 "[ . 1 . ]" 1
222 1 29 TYR HB3 1 34 PHE QE 4.560 . 6.560 2.454 2.230 2.942 . 0 0 "[ . 1 . ]" 1
223 1 29 TYR QD 1 30 VAL H 4.560 . 6.560 3.305 2.510 3.694 . 0 0 "[ . 1 . ]" 1
224 1 29 TYR QD 1 30 VAL HA 4.560 . 6.560 4.822 4.388 5.020 . 0 0 "[ . 1 . ]" 1
225 1 29 TYR QD 1 30 VAL HB 6.000 . 8.000 4.934 4.188 5.763 . 0 0 "[ . 1 . ]" 1
226 1 29 TYR QD 1 30 VAL MG1 4.560 . 7.560 3.496 2.208 5.036 . 0 0 "[ . 1 . ]" 1
227 1 29 TYR QD 1 30 VAL MG2 4.560 . 7.560 4.785 3.200 5.337 . 0 0 "[ . 1 . ]" 1
228 1 29 TYR QD 1 31 GLY QA 4.560 . 7.560 4.680 3.855 5.477 . 0 0 "[ . 1 . ]" 1
229 1 29 TYR QD 1 32 GLY H 4.560 . 6.560 3.357 2.850 4.208 . 0 0 "[ . 1 . ]" 1
230 1 29 TYR QD 1 33 TYR H 6.000 . 8.000 3.569 3.178 4.470 . 0 0 "[ . 1 . ]" 1
231 1 29 TYR QD 1 33 TYR HA 3.360 . 5.360 2.323 2.160 2.809 . 0 0 "[ . 1 . ]" 1
232 1 29 TYR QD 1 33 TYR HB2 6.000 . 8.000 4.694 4.414 5.159 . 0 0 "[ . 1 . ]" 1
233 1 29 TYR QD 1 33 TYR HB3 6.000 . 8.000 4.457 4.028 5.081 . 0 0 "[ . 1 . ]" 1
234 1 29 TYR QD 1 34 PHE H 6.000 . 8.000 3.858 2.725 4.481 . 0 0 "[ . 1 . ]" 1
235 1 29 TYR QD 1 34 PHE HB2 6.000 . 8.000 5.799 4.993 6.403 . 0 0 "[ . 1 . ]" 1
236 1 29 TYR QD 1 34 PHE HB3 6.000 . 8.000 4.442 3.462 4.997 . 0 0 "[ . 1 . ]" 1
237 1 29 TYR QD 1 34 PHE QD 4.560 . 7.960 2.893 2.127 3.549 . 0 0 "[ . 1 . ]" 1
238 1 29 TYR QD 1 34 PHE QE 4.560 . 7.960 3.571 3.126 4.252 . 0 0 "[ . 1 . ]" 1
239 1 29 TYR QE 1 30 VAL HA 4.560 . 6.560 5.791 5.562 6.106 . 0 0 "[ . 1 . ]" 1
240 1 29 TYR QE 1 30 VAL MG1 4.560 . 7.560 4.184 2.948 5.835 . 0 0 "[ . 1 . ]" 1
241 1 29 TYR QE 1 30 VAL MG2 4.560 . 7.560 5.294 3.844 5.852 . 0 0 "[ . 1 . ]" 1
242 1 29 TYR QE 1 32 GLY H 6.000 . 8.000 3.757 3.193 4.562 . 0 0 "[ . 1 . ]" 1
243 1 29 TYR QE 1 32 GLY HA3 4.560 . 6.560 3.999 2.544 4.728 . 0 0 "[ . 1 . ]" 1
244 1 29 TYR QE 1 33 TYR H 4.560 . 6.560 2.799 2.401 3.756 . 0 0 "[ . 1 . ]" 1
245 1 29 TYR QE 1 33 TYR HA 6.000 . 8.000 3.405 3.080 3.761 . 0 0 "[ . 1 . ]" 1
246 1 29 TYR QE 1 34 PHE HA 4.560 . 6.560 4.567 3.299 5.372 . 0 0 "[ . 1 . ]" 1
247 1 29 TYR QE 1 34 PHE HB2 6.000 . 8.000 5.136 4.584 6.059 . 0 0 "[ . 1 . ]" 1
248 1 29 TYR QE 1 34 PHE HB3 6.000 . 8.000 3.643 3.107 4.501 . 0 0 "[ . 1 . ]" 1
249 1 29 TYR QE 1 34 PHE QD 3.360 . 6.760 3.440 2.974 4.166 . 0 0 "[ . 1 . ]" 1
250 1 29 TYR QE 1 34 PHE QE 4.560 . 7.960 4.835 4.244 5.790 . 0 0 "[ . 1 . ]" 1
251 1 30 VAL H 1 30 VAL MG1 3.120 . 4.120 2.348 1.950 3.640 . 0 0 "[ . 1 . ]" 1
252 1 30 VAL H 1 30 VAL MG2 3.120 . 4.120 3.172 2.004 3.669 . 0 0 "[ . 1 . ]" 1
253 1 30 VAL HA 1 31 GLY H 3.360 . 3.360 2.342 2.057 3.486 0.126 18 0 "[ . 1 . ]" 1
254 1 30 VAL HA 1 32 GLY H 3.360 . 3.360 3.317 2.997 3.560 0.200 4 0 "[ . 1 . ]" 1
255 1 30 VAL MG1 1 31 GLY H 4.560 . 5.560 3.510 2.241 4.282 . 0 0 "[ . 1 . ]" 1
256 1 30 VAL MG1 1 32 GLY H 4.560 . 5.560 4.517 4.319 4.750 . 0 0 "[ . 1 . ]" 1
257 1 30 VAL MG2 1 32 GLY H 4.560 . 5.560 4.557 4.286 4.708 . 0 0 "[ . 1 . ]" 1
258 1 31 GLY H 1 32 GLY H 4.560 2.500 4.560 2.857 2.434 3.319 0.066 2 0 "[ . 1 . ]" 1
259 1 32 GLY H 1 33 TYR H 6.000 2.500 6.000 3.917 3.589 4.451 . 0 0 "[ . 1 . ]" 1
260 1 32 GLY HA2 1 33 TYR H 3.360 . 3.360 3.376 2.723 3.507 0.147 17 0 "[ . 1 . ]" 1
261 1 32 GLY HA2 1 33 TYR QD 6.000 . 8.000 3.867 3.028 5.038 . 0 0 "[ . 1 . ]" 1
262 1 32 GLY HA3 1 33 TYR H 3.360 . 3.360 2.256 2.147 2.427 . 0 0 "[ . 1 . ]" 1
263 1 32 GLY HA3 1 33 TYR QD 6.000 . 8.000 3.527 2.955 4.860 . 0 0 "[ . 1 . ]" 1
264 1 32 GLY HA3 1 33 TYR QE 6.000 . 8.000 4.969 4.006 6.084 . 0 0 "[ . 1 . ]" 1
265 1 33 TYR H 1 33 TYR QD 4.560 . 6.560 2.986 2.221 3.653 . 0 0 "[ . 1 . ]" 1
266 1 33 TYR H 1 33 TYR QE 6.000 . 8.000 4.536 4.274 5.048 . 0 0 "[ . 1 . ]" 1
267 1 33 TYR HA 1 33 TYR QE 6.000 . 8.000 5.702 5.565 5.780 . 0 0 "[ . 1 . ]" 1
268 1 33 TYR HA 1 34 PHE H 2.600 . 2.600 2.305 2.155 2.495 . 0 0 "[ . 1 . ]" 1
269 1 33 TYR HA 1 34 PHE QD 4.560 . 6.560 3.279 2.783 3.552 . 0 0 "[ . 1 . ]" 1
270 1 33 TYR HB2 1 33 TYR QD 3.360 . 5.360 2.391 2.251 2.694 . 0 0 "[ . 1 . ]" 1
271 1 33 TYR HB2 1 33 TYR QE 4.560 . 6.560 4.422 4.364 4.496 . 0 0 "[ . 1 . ]" 1
272 1 33 TYR HB2 1 34 PHE H 4.560 . 4.560 2.535 2.243 2.976 . 0 0 "[ . 1 . ]" 1
273 1 33 TYR HB2 1 34 PHE QE 6.000 . 8.000 6.159 5.794 6.444 . 0 0 "[ . 1 . ]" 1
274 1 33 TYR HB3 1 34 PHE H 4.560 . 4.560 3.803 3.621 4.076 . 0 0 "[ . 1 . ]" 1
275 1 33 TYR HB3 1 34 PHE QD 6.000 . 8.000 5.563 5.312 5.848 . 0 0 "[ . 1 . ]" 1
276 1 33 TYR HB3 1 34 PHE QE 6.000 . 8.000 6.855 6.640 6.998 . 0 0 "[ . 1 . ]" 1
277 1 33 TYR QD 1 34 PHE H 4.560 . 6.560 3.474 2.681 4.060 . 0 0 "[ . 1 . ]" 1
278 1 33 TYR QD 1 34 PHE HA 4.560 . 6.560 3.736 2.946 4.858 . 0 0 "[ . 1 . ]" 1
279 1 33 TYR QE 1 34 PHE HA 4.560 . 6.560 5.034 4.340 5.995 . 0 0 "[ . 1 . ]" 1
280 1 33 TYR QE 1 48 HIS HD2 6.000 . 8.000 4.290 2.569 6.382 . 0 0 "[ . 1 . ]" 1
281 1 34 PHE H 1 34 PHE QD 4.560 . 6.560 2.708 2.341 2.989 . 0 0 "[ . 1 . ]" 1
282 1 34 PHE H 1 35 CYS H 10.000 3.000 10.000 4.151 2.789 4.416 0.211 6 0 "[ . 1 . ]" 1
283 1 34 PHE HA 1 34 PHE QD 3.360 . 5.360 3.764 3.730 3.796 . 0 0 "[ . 1 . ]" 1
284 1 34 PHE HA 1 35 CYS H 3.360 . 3.360 2.563 2.123 3.486 0.126 3 0 "[ . 1 . ]" 1
285 1 34 PHE HB2 1 35 CYS H 3.360 . 3.360 2.626 1.998 3.260 . 0 0 "[ . 1 . ]" 1
286 1 34 PHE HB3 1 34 PHE QE 4.560 . 6.560 4.451 4.336 4.517 . 0 0 "[ . 1 . ]" 1
287 1 34 PHE HB3 1 35 CYS H 4.560 . 4.560 3.842 3.488 4.254 . 0 0 "[ . 1 . ]" 1
288 1 34 PHE QD 1 35 CYS H 6.000 . 8.000 3.335 2.499 4.260 . 0 0 "[ . 1 . ]" 1
289 1 34 PHE QD 1 36 SER HA 6.000 . 8.000 5.272 4.668 5.865 . 0 0 "[ . 1 . ]" 1
290 1 34 PHE QD 1 36 SER HB3 6.000 . 8.000 5.686 4.407 6.165 . 0 0 "[ . 1 . ]" 1
291 1 34 PHE QE 1 36 SER HB2 6.000 . 8.000 5.179 3.804 5.884 . 0 0 "[ . 1 . ]" 1
292 1 34 PHE QE 1 36 SER HB3 6.000 . 8.000 5.651 4.254 6.254 . 0 0 "[ . 1 . ]" 1
293 1 35 CYS H 1 36 SER H 4.560 . 4.560 4.452 4.315 4.580 0.020 11 0 "[ . 1 . ]" 1
294 1 35 CYS H 1 43 LEU MD1 6.000 . 7.000 4.271 3.519 5.749 . 0 0 "[ . 1 . ]" 1
295 1 35 CYS H 1 43 LEU MD2 6.000 . 7.000 4.476 3.043 5.714 . 0 0 "[ . 1 . ]" 1
296 1 35 CYS HA 1 36 SER H 2.600 . 2.600 2.406 2.322 2.499 . 0 0 "[ . 1 . ]" 1
297 1 35 CYS HA 1 36 SER HA 6.000 . 6.000 4.559 4.482 4.615 . 0 0 "[ . 1 . ]" 1
298 1 35 CYS HA 1 43 LEU MD1 6.000 . 7.000 4.882 3.984 5.730 . 0 0 "[ . 1 . ]" 1
299 1 35 CYS HA 1 43 LEU MD2 6.000 . 7.000 4.796 4.040 5.701 . 0 0 "[ . 1 . ]" 1
300 1 35 CYS HA 1 48 HIS HA 7.000 . 7.000 6.420 4.767 7.090 0.090 17 0 "[ . 1 . ]" 1
301 1 35 CYS HB2 1 36 SER H 3.360 . 3.360 3.418 3.366 3.461 0.101 14 0 "[ . 1 . ]" 1
302 1 35 CYS HB2 1 37 CYS H 10.000 3.500 10.000 6.721 5.141 7.103 . 0 0 "[ . 1 . ]" 1
303 1 35 CYS HB2 1 43 LEU MD1 6.000 . 7.000 2.872 2.163 3.887 . 0 0 "[ . 1 . ]" 1
304 1 35 CYS HB2 1 48 HIS HA 6.000 . 6.000 3.893 2.300 4.484 . 0 0 "[ . 1 . ]" 1
305 1 35 CYS HB3 1 36 SER H 3.360 . 3.360 2.204 2.071 2.329 . 0 0 "[ . 1 . ]" 1
306 1 35 CYS HB3 1 37 CYS H 10.000 3.500 10.000 5.911 3.965 6.277 . 0 0 "[ . 1 . ]" 1
307 1 35 CYS HB3 1 43 LEU MD1 5.400 . 6.400 3.607 2.521 4.988 . 0 0 "[ . 1 . ]" 1
308 1 35 CYS HB3 1 43 LEU MD2 6.000 . 7.000 3.300 2.350 5.272 . 0 0 "[ . 1 . ]" 1
309 1 36 SER H 1 43 LEU MD1 6.000 . 7.000 4.230 3.242 5.317 . 0 0 "[ . 1 . ]" 1
310 1 36 SER HA 1 43 LEU MD1 5.000 . 6.000 3.529 2.535 4.408 . 0 0 "[ . 1 . ]" 1
311 1 36 SER HA 1 43 LEU MD2 5.000 . 6.000 3.461 2.259 4.681 . 0 0 "[ . 1 . ]" 1
312 1 36 SER HB2 1 37 CYS H 3.360 . 3.360 3.352 3.038 3.491 0.131 7 0 "[ . 1 . ]" 1
313 1 36 SER HB3 1 37 CYS H 3.360 . 3.360 2.408 2.072 3.332 . 0 0 "[ . 1 . ]" 1
314 1 37 CYS H 1 43 LEU MD1 6.000 . 7.000 5.186 4.052 5.941 . 0 0 "[ . 1 . ]" 1
315 1 37 CYS H 1 43 LEU MD2 6.000 . 7.000 4.916 3.815 5.642 . 0 0 "[ . 1 . ]" 1
316 1 37 CYS HA 1 38 ARG H 2.600 . 2.600 2.378 2.292 2.607 0.007 17 0 "[ . 1 . ]" 1
317 1 37 CYS HA 1 41 TYR HB2 6.000 . 6.000 4.718 4.403 5.169 . 0 0 "[ . 1 . ]" 1
318 1 37 CYS HA 1 41 TYR HB3 5.500 . 5.500 5.343 4.963 5.563 0.063 19 0 "[ . 1 . ]" 1
319 1 37 CYS HA 1 41 TYR QD 6.000 . 8.000 5.959 5.680 6.556 . 0 0 "[ . 1 . ]" 1
320 1 37 CYS HA 1 50 CYS HB2 6.000 . 6.000 4.929 4.067 5.560 . 0 0 "[ . 1 . ]" 1
321 1 37 CYS HA 1 50 CYS HB3 6.000 . 6.000 4.727 3.776 5.877 . 0 0 "[ . 1 . ]" 1
322 1 37 CYS HB2 1 41 TYR H 4.560 . 4.560 4.484 3.963 5.311 0.751 15 2 "[ . - 1 + ]" 1
323 1 37 CYS HB2 1 41 TYR HB2 4.560 . 4.560 3.189 2.821 3.532 . 0 0 "[ . 1 . ]" 1
324 1 37 CYS HB2 1 41 TYR HB3 4.560 . 4.560 3.632 3.008 4.127 . 0 0 "[ . 1 . ]" 1
325 1 37 CYS HB2 1 41 TYR QD 4.560 . 6.560 4.988 4.526 5.238 . 0 0 "[ . 1 . ]" 1
326 1 37 CYS HB2 1 50 CYS HB2 6.000 . 6.000 4.978 4.063 5.586 . 0 0 "[ . 1 . ]" 1
327 1 37 CYS HB2 1 50 CYS HB3 5.400 . 5.400 3.857 3.072 4.370 . 0 0 "[ . 1 . ]" 1
328 1 37 CYS HB3 1 41 TYR HB2 3.200 . 3.200 2.417 2.180 3.077 . 0 0 "[ . 1 . ]" 1
329 1 37 CYS HB3 1 41 TYR HB3 6.000 . 6.000 2.908 2.559 3.204 . 0 0 "[ . 1 . ]" 1
330 1 37 CYS HB3 1 41 TYR QD 6.000 . 8.000 4.139 3.839 4.625 . 0 0 "[ . 1 . ]" 1
331 1 37 CYS HB3 1 50 CYS HB3 6.600 . 6.600 2.951 2.357 3.851 . 0 0 "[ . 1 . ]" 1
332 1 38 ARG H 1 38 ARG HD3 6.000 . 6.000 4.346 2.199 4.949 . 0 0 "[ . 1 . ]" 1
333 1 38 ARG H 1 39 PRO HD2 6.000 . 6.000 5.197 4.857 5.353 . 0 0 "[ . 1 . ]" 1
334 1 38 ARG H 1 39 PRO HD3 6.000 . 6.000 5.012 4.815 5.346 . 0 0 "[ . 1 . ]" 1
335 1 38 ARG H 1 41 TYR HB2 4.560 . 4.560 3.434 3.242 3.845 . 0 0 "[ . 1 . ]" 1
336 1 38 ARG H 1 41 TYR HB3 6.000 . 6.000 4.603 4.243 5.003 . 0 0 "[ . 1 . ]" 1
337 1 38 ARG HB2 1 41 TYR QD 4.560 . 6.560 3.601 2.555 5.579 . 0 0 "[ . 1 . ]" 1
338 1 38 ARG HB2 1 41 TYR QE 6.000 . 8.000 4.404 2.959 6.547 . 0 0 "[ . 1 . ]" 1
339 1 38 ARG HG2 1 39 PRO HD2 6.600 . 6.600 4.068 2.603 5.340 . 0 0 "[ . 1 . ]" 1
340 1 38 ARG HG2 1 39 PRO HD3 5.400 . 5.400 4.401 3.672 5.778 0.378 7 0 "[ . 1 . ]" 1
341 1 38 ARG HG2 1 41 TYR QD 6.000 . 8.000 5.657 2.805 7.054 . 0 0 "[ . 1 . ]" 1
342 1 38 ARG HG3 1 41 TYR QD 6.000 . 8.000 5.338 2.681 6.331 . 0 0 "[ . 1 . ]" 1
343 1 38 ARG HG3 1 41 TYR QE 6.000 . 8.000 5.854 3.816 7.210 . 0 0 "[ . 1 . ]" 1
344 1 39 PRO HA 1 40 GLY H 2.600 . 2.600 2.299 2.236 2.352 . 0 0 "[ . 1 . ]" 1
345 1 39 PRO HB2 1 40 GLY H 3.360 . 3.360 3.343 2.898 3.471 0.111 6 0 "[ . 1 . ]" 1
346 1 39 PRO HB3 1 40 GLY H 3.360 . 3.360 3.130 2.856 3.453 0.093 17 0 "[ . 1 . ]" 1
347 1 39 PRO HG2 1 40 GLY H 6.000 . 6.000 5.254 4.725 5.446 . 0 0 "[ . 1 . ]" 1
348 1 40 GLY H 1 41 TYR H 3.360 . 3.360 2.859 2.488 3.408 0.048 12 0 "[ . 1 . ]" 1
349 1 40 GLY HA2 1 41 TYR H 3.360 . 3.360 3.366 3.087 3.635 0.275 1 0 "[ . 1 . ]" 1
350 1 40 GLY HA2 1 41 TYR QD 4.560 . 6.560 4.730 4.507 5.152 . 0 0 "[ . 1 . ]" 1
351 1 40 GLY HA2 1 41 TYR QE 6.000 . 8.000 6.192 5.732 6.857 . 0 0 "[ . 1 . ]" 1
352 1 40 GLY HA3 1 41 TYR H 6.000 . 6.000 3.245 2.691 3.614 . 0 0 "[ . 1 . ]" 1
353 1 40 GLY HA3 1 41 TYR QD 6.000 . 8.000 3.559 3.285 3.884 . 0 0 "[ . 1 . ]" 1
354 1 41 TYR H 1 41 TYR HA 3.360 . 2.800 2.888 2.833 2.933 0.133 6 0 "[ . 1 . ]" 1
355 1 41 TYR H 1 41 TYR QE 6.000 . 8.000 5.057 4.411 5.722 . 0 0 "[ . 1 . ]" 1
356 1 41 TYR H 1 42 GLU H 6.000 . 6.000 4.429 4.251 4.670 . 0 0 "[ . 1 . ]" 1
357 1 41 TYR H 1 53 GLU H 6.000 . 6.000 4.916 3.889 6.039 0.039 1 0 "[ . 1 . ]" 1
358 1 41 TYR HA 1 41 TYR QE 4.560 . 6.560 4.831 4.642 5.066 . 0 0 "[ . 1 . ]" 1
359 1 41 TYR HA 1 42 GLU H 2.600 . 2.600 2.341 2.165 2.526 . 0 0 "[ . 1 . ]" 1
360 1 41 TYR HA 1 51 GLN H 6.000 . 6.000 4.614 4.237 5.233 . 0 0 "[ . 1 . ]" 1
361 1 41 TYR HA 1 52 ALA HA 4.560 . 4.560 2.276 2.138 2.776 . 0 0 "[ . 1 . ]" 1
362 1 41 TYR HA 1 52 ALA MB 6.000 . 7.000 3.882 3.568 4.339 . 0 0 "[ . 1 . ]" 1
363 1 41 TYR HA 1 53 GLU H 3.120 . 3.120 2.566 2.022 3.174 0.054 6 0 "[ . 1 . ]" 1
364 1 41 TYR HB2 1 41 TYR QD 3.360 . 5.360 2.566 2.443 2.724 . 0 0 "[ . 1 . ]" 1
365 1 41 TYR HB2 1 41 TYR QE 4.560 . 6.560 4.449 4.348 4.530 . 0 0 "[ . 1 . ]" 1
366 1 41 TYR HB2 1 42 GLU H 4.560 . 4.560 3.815 3.582 4.207 . 0 0 "[ . 1 . ]" 1
367 1 41 TYR HB2 1 50 CYS HA 6.000 . 6.000 5.633 4.804 6.054 0.054 8 0 "[ . 1 . ]" 1
368 1 41 TYR HB2 1 50 CYS HB2 4.560 . 4.560 4.751 4.446 5.558 0.998 12 3 "[ . 1*+ .- ]" 1
369 1 41 TYR HB2 1 50 CYS HB3 6.000 . 6.000 3.549 3.057 4.020 . 0 0 "[ . 1 . ]" 1
370 1 41 TYR HB3 1 41 TYR QE 4.560 . 6.560 4.397 4.361 4.417 . 0 0 "[ . 1 . ]" 1
371 1 41 TYR HB3 1 42 GLU H 4.560 . 4.560 2.591 2.211 3.126 . 0 0 "[ . 1 . ]" 1
372 1 41 TYR HB3 1 50 CYS HA 6.000 . 6.000 4.220 3.735 4.507 . 0 0 "[ . 1 . ]" 1
373 1 41 TYR QD 1 42 GLU H 4.560 . 6.560 3.841 3.508 4.104 . 0 0 "[ . 1 . ]" 1
374 1 41 TYR QD 1 42 GLU HA 6.000 . 8.000 5.983 5.790 6.135 . 0 0 "[ . 1 . ]" 1
375 1 41 TYR QD 1 50 CYS HA 4.560 . 6.560 4.700 4.006 5.406 . 0 0 "[ . 1 . ]" 1
376 1 41 TYR QD 1 50 CYS HB2 4.560 . 6.560 3.707 2.880 4.753 . 0 0 "[ . 1 . ]" 1
377 1 41 TYR QD 1 50 CYS HB3 4.560 . 6.560 3.077 2.390 3.976 . 0 0 "[ . 1 . ]" 1
378 1 41 TYR QD 1 51 GLN H 6.000 . 8.000 3.832 3.110 4.602 . 0 0 "[ . 1 . ]" 1
379 1 41 TYR QD 1 52 ALA H 4.560 . 6.560 3.756 2.959 4.489 . 0 0 "[ . 1 . ]" 1
380 1 41 TYR QD 1 52 ALA HA 3.360 . 5.360 3.192 2.793 3.663 . 0 0 "[ . 1 . ]" 1
381 1 41 TYR QD 1 52 ALA MB 3.360 . 6.360 3.429 3.050 3.756 . 0 0 "[ . 1 . ]" 1
382 1 41 TYR QD 1 53 GLU H 4.560 . 6.560 4.450 4.005 4.827 . 0 0 "[ . 1 . ]" 1
383 1 41 TYR QE 1 50 CYS HB2 4.560 . 6.560 5.148 4.423 5.990 . 0 0 "[ . 1 . ]" 1
384 1 41 TYR QE 1 50 CYS HB3 4.560 . 6.560 5.072 4.244 5.706 . 0 0 "[ . 1 . ]" 1
385 1 41 TYR QE 1 52 ALA H 4.560 . 6.560 4.203 3.811 5.126 . 0 0 "[ . 1 . ]" 1
386 1 41 TYR QE 1 52 ALA HA 4.560 . 6.560 4.099 3.734 4.783 . 0 0 "[ . 1 . ]" 1
387 1 41 TYR QE 1 52 ALA MB 3.120 . 6.120 3.042 2.607 3.296 . 0 0 "[ . 1 . ]" 1
388 1 42 GLU H 1 42 GLU QG 4.560 . 5.560 3.579 2.569 4.201 . 0 0 "[ . 1 . ]" 1
389 1 42 GLU H 1 43 LEU H 6.000 . 6.000 4.323 4.065 4.494 . 0 0 "[ . 1 . ]" 1
390 1 42 GLU H 1 50 CYS HA 4.560 . 4.560 4.053 3.427 4.593 0.033 16 0 "[ . 1 . ]" 1
391 1 42 GLU H 1 50 CYS HB3 4.560 . 4.560 3.673 2.928 4.432 . 0 0 "[ . 1 . ]" 1
392 1 42 GLU H 1 52 ALA MB 6.000 . 7.000 5.069 4.847 5.216 . 0 0 "[ . 1 . ]" 1
393 1 42 GLU H 1 53 GLU H 4.560 . 4.560 3.274 2.282 4.580 0.020 15 0 "[ . 1 . ]" 1
394 1 42 GLU HA 1 43 LEU H 2.600 . 2.600 2.203 2.049 2.339 . 0 0 "[ . 1 . ]" 1
395 1 42 GLU HB2 1 43 LEU H 4.560 . 4.560 4.131 3.771 4.400 . 0 0 "[ . 1 . ]" 1
396 1 42 GLU HB2 1 44 GLN QE 3.360 . 3.360 3.134 2.190 4.249 0.889 10 5 "[ * . - +** . ]" 1
397 1 42 GLU HB3 1 44 GLN QE 4.560 . 4.560 2.869 2.173 3.876 . 0 0 "[ . 1 . ]" 1
398 1 42 GLU HB3 1 51 GLN H 6.000 . 6.000 4.608 3.341 5.795 . 0 0 "[ . 1 . ]" 1
399 1 42 GLU QG 1 44 GLN QE 4.560 . 5.560 3.645 2.464 4.425 . 0 0 "[ . 1 . ]" 1
400 1 43 LEU H 1 43 LEU HB3 3.360 . 3.360 2.858 2.304 3.627 0.267 6 0 "[ . 1 . ]" 1
401 1 43 LEU H 1 43 LEU MD1 4.560 . 5.560 4.027 3.508 4.301 . 0 0 "[ . 1 . ]" 1
402 1 43 LEU H 1 43 LEU MD2 4.560 . 5.560 4.110 3.706 4.390 . 0 0 "[ . 1 . ]" 1
403 1 43 LEU H 1 43 LEU HG 4.560 . 4.560 3.957 2.592 4.568 0.008 14 0 "[ . 1 . ]" 1
404 1 43 LEU HA 1 44 GLN H 2.600 . 2.600 2.190 2.114 2.304 . 0 0 "[ . 1 . ]" 1
405 1 43 LEU HA 1 44 GLN QE . . 4.560 3.553 2.960 4.165 . 0 0 "[ . 1 . ]" 1
406 1 43 LEU HA 1 50 CYS HA 3.120 . 3.120 2.326 2.088 2.487 . 0 0 "[ . 1 . ]" 1
407 1 43 LEU HA 1 51 GLN H 3.360 . 3.800 3.839 3.719 3.906 0.106 16 0 "[ . 1 . ]" 1
408 1 43 LEU HB2 1 44 GLN H 4.560 . 4.560 4.344 3.898 4.591 0.031 13 0 "[ . 1 . ]" 1
409 1 43 LEU HB2 1 50 CYS HA 6.000 . 6.000 4.763 4.088 5.383 . 0 0 "[ . 1 . ]" 1
410 1 43 LEU HB3 1 44 GLN H 4.560 . 4.560 3.819 2.709 4.491 . 0 0 "[ . 1 . ]" 1
411 1 43 LEU HB3 1 50 CYS HA 6.000 . 6.000 5.165 4.584 5.526 . 0 0 "[ . 1 . ]" 1
412 1 43 LEU MD1 1 44 GLN H 3.360 . 4.360 3.581 2.503 4.688 0.328 4 0 "[ . 1 . ]" 1
413 1 43 LEU MD1 1 47 ARG H 4.560 . 5.560 3.863 2.822 4.523 . 0 0 "[ . 1 . ]" 1
414 1 43 LEU MD1 1 47 ARG HA 6.000 . 7.000 2.665 2.017 4.381 . 0 0 "[ . 1 . ]" 1
415 1 43 LEU MD1 1 48 HIS H 4.560 . 5.560 3.817 2.481 4.529 . 0 0 "[ . 1 . ]" 1
416 1 43 LEU MD1 1 48 HIS HA 4.000 . 5.000 3.813 2.324 5.005 0.005 14 0 "[ . 1 . ]" 1
417 1 43 LEU MD1 1 50 CYS HA 6.000 . 7.000 4.546 2.974 5.498 . 0 0 "[ . 1 . ]" 1
418 1 43 LEU MD2 1 44 GLN H 4.560 . 5.560 3.456 2.527 4.822 . 0 0 "[ . 1 . ]" 1
419 1 43 LEU MD2 1 47 ARG H 4.560 . 5.560 4.104 3.231 4.584 . 0 0 "[ . 1 . ]" 1
420 1 43 LEU MD2 1 47 ARG HA 4.560 . 5.560 3.065 2.113 4.700 . 0 0 "[ . 1 . ]" 1
421 1 43 LEU MD2 1 48 HIS H 4.560 . 5.560 3.662 2.828 4.543 . 0 0 "[ . 1 . ]" 1
422 1 43 LEU MD2 1 48 HIS HA 6.000 . 7.000 3.459 2.706 5.066 . 0 0 "[ . 1 . ]" 1
423 1 43 LEU MD2 1 50 CYS HA 5.500 . 6.500 3.899 2.784 5.573 . 0 0 "[ . 1 . ]" 1
424 1 44 GLN H 1 44 GLN QE 4.560 . 4.560 3.268 2.743 4.026 . 0 0 "[ . 1 . ]" 1
425 1 44 GLN H 1 49 SER QB 6.000 . 7.000 3.797 3.053 4.815 . 0 0 "[ . 1 . ]" 1
426 1 44 GLN HA 1 44 GLN QE 4.560 . 4.560 3.144 2.642 3.993 . 0 0 "[ . 1 . ]" 1
427 1 44 GLN HA 1 45 GLU H 2.600 . 2.600 2.466 2.280 2.659 0.059 2 0 "[ . 1 . ]" 1
428 1 44 GLN HA 1 46 ASP H 4.560 . 4.560 4.195 3.557 4.574 0.014 18 0 "[ . 1 . ]" 1
429 1 44 GLN HB2 1 49 SER QB 4.560 . 5.560 2.976 2.427 3.941 . 0 0 "[ . 1 . ]" 1
430 1 44 GLN HB3 1 45 GLU H 3.360 . 3.360 2.384 1.898 3.386 0.026 5 0 "[ . 1 . ]" 1
431 1 44 GLN HB3 1 46 ASP H 4.560 . 4.560 3.630 2.279 4.778 0.218 19 0 "[ . 1 . ]" 1
432 1 44 GLN HB3 1 49 SER QB 4.560 . 5.560 4.229 2.837 5.030 . 0 0 "[ . 1 . ]" 1
433 1 44 GLN QE 1 50 CYS HA . . 5.000 3.428 2.673 4.514 . 0 0 "[ . 1 . ]" 1
434 1 44 GLN QE 1 51 GLN H 6.000 . 6.000 2.562 2.131 3.529 . 0 0 "[ . 1 . ]" 1
435 1 44 GLN QG 1 45 GLU H 6.000 . 7.000 3.932 2.081 4.811 . 0 0 "[ . 1 . ]" 1
436 1 44 GLN QG 1 49 SER QB 4.560 . 6.960 3.492 2.656 4.292 . 0 0 "[ . 1 . ]" 1
437 1 45 GLU H 1 45 GLU QG 4.560 . 5.560 2.734 2.024 4.097 . 0 0 "[ . 1 . ]" 1
438 1 45 GLU H 1 47 ARG H 6.000 . 6.000 4.401 3.738 5.158 . 0 0 "[ . 1 . ]" 1
439 1 45 GLU HA 1 46 ASP H 3.360 . 3.360 3.169 2.212 3.434 0.074 17 0 "[ . 1 . ]" 1
440 1 45 GLU QB 1 46 ASP H 3.360 . 4.360 3.360 2.435 3.998 . 0 0 "[ . 1 . ]" 1
441 1 45 GLU QG 1 46 ASP H 4.560 . 5.560 4.348 3.011 4.830 . 0 0 "[ . 1 . ]" 1
442 1 46 ASP H 1 47 ARG H 3.360 . 3.360 2.277 1.602 2.494 . 0 0 "[ . 1 . ]" 1
443 1 46 ASP H 1 47 ARG HA 4.560 . 4.560 4.430 3.734 4.785 0.225 19 0 "[ . 1 . ]" 1
444 1 46 ASP H 1 47 ARG HB3 6.000 . 6.000 5.577 3.934 6.473 0.473 7 0 "[ . 1 . ]" 1
445 1 46 ASP H 1 47 ARG QG 6.000 . 6.000 5.138 3.750 5.753 . 0 0 "[ . 1 . ]" 1
446 1 46 ASP HA 1 47 ARG H 4.560 . 4.560 3.394 2.974 3.536 . 0 0 "[ . 1 . ]" 1
447 1 46 ASP HA 1 48 HIS H 6.000 . 6.000 4.513 4.091 5.240 . 0 0 "[ . 1 . ]" 1
448 1 46 ASP HB2 1 47 ARG H 6.000 . 6.000 4.009 2.791 4.486 . 0 0 "[ . 1 . ]" 1
449 1 46 ASP HB2 1 48 HIS H 6.000 . 6.000 4.099 2.518 6.071 0.071 19 0 "[ . 1 . ]" 1
450 1 46 ASP HB3 1 48 HIS H 6.000 3.000 7.000 4.555 3.077 6.082 . 0 0 "[ . 1 . ]" 1
451 1 47 ARG H 1 47 ARG HA 2.600 . 2.600 2.235 2.126 2.802 0.202 5 0 "[ . 1 . ]" 1
452 1 47 ARG HA 1 48 HIS H 3.360 . 4.650 3.030 2.301 3.562 . 0 0 "[ . 1 . ]" 1
453 1 47 ARG HA 1 48 HIS HA 6.000 . 6.000 4.479 4.187 4.748 . 0 0 "[ . 1 . ]" 1
454 1 47 ARG HA 1 49 SER H 6.000 . 6.000 4.559 3.573 5.610 . 0 0 "[ . 1 . ]" 1
455 1 47 ARG HB2 1 49 SER H 6.000 . 6.000 5.887 5.110 6.199 0.199 15 0 "[ . 1 . ]" 1
456 1 47 ARG HB3 1 48 HIS H 4.560 3.000 7.000 4.074 2.900 4.587 0.100 11 0 "[ . 1 . ]" 1
457 1 47 ARG HB3 1 49 SER H 6.000 . 6.000 5.837 4.958 6.132 0.132 18 0 "[ . 1 . ]" 1
458 1 47 ARG QG 1 48 HIS H 4.560 . 6.000 4.140 2.111 4.859 . 0 0 "[ . 1 . ]" 1
459 1 47 ARG QG 1 48 HIS HA 6.000 . 6.000 4.969 4.004 5.742 . 0 0 "[ . 1 . ]" 1
460 1 48 HIS H 1 49 SER HA 6.000 . 6.000 4.788 4.405 5.633 . 0 0 "[ . 1 . ]" 1
461 1 48 HIS H 1 49 SER QB 4.560 . 5.560 4.232 3.803 4.813 . 0 0 "[ . 1 . ]" 1
462 1 48 HIS HA 1 48 HIS HD2 4.560 . 4.560 3.339 2.285 4.609 0.049 5 0 "[ . 1 . ]" 1
463 1 48 HIS HA 1 49 SER H 4.560 . 4.560 3.498 2.866 3.601 . 0 0 "[ . 1 . ]" 1
464 1 48 HIS HB2 1 49 SER H 4.560 . 4.560 2.992 2.346 4.355 . 0 0 "[ . 1 . ]" 1
465 1 48 HIS HB3 1 49 SER H 4.560 . 4.560 3.612 2.632 4.476 . 0 0 "[ . 1 . ]" 1
466 1 49 SER HA 1 50 CYS H 2.600 . 2.600 2.210 2.095 2.437 . 0 0 "[ . 1 . ]" 1
467 1 49 SER HA 1 50 CYS HA 6.000 . 6.000 4.489 4.401 4.556 . 0 0 "[ . 1 . ]" 1
468 1 49 SER QB 1 50 CYS H 4.560 . 5.560 3.224 2.771 3.955 . 0 0 "[ . 1 . ]" 1
469 1 49 SER QB 1 50 CYS HA 6.000 . 7.000 4.396 4.133 4.653 . 0 0 "[ . 1 . ]" 1
470 1 50 CYS HA 1 51 GLN H 2.600 . 2.600 2.253 2.144 2.335 . 0 0 "[ . 1 . ]" 1
471 1 51 GLN H 1 52 ALA H 6.000 . 6.000 4.430 4.290 4.626 . 0 0 "[ . 1 . ]" 1
472 1 51 GLN HA 1 52 ALA H 2.600 . 2.600 2.425 2.303 2.576 . 0 0 "[ . 1 . ]" 1
473 1 51 GLN HA 1 52 ALA MB 4.500 . 5.500 4.001 3.923 4.079 . 0 0 "[ . 1 . ]" 1
474 1 52 ALA H 1 52 ALA MB 3.120 . 4.120 2.305 2.255 2.424 . 0 0 "[ . 1 . ]" 1
475 1 52 ALA H 1 53 GLU H 4.560 . 4.560 3.937 3.136 4.588 0.028 3 0 "[ . 1 . ]" 1
476 1 52 ALA HA 1 53 GLU H 2.600 . 2.600 2.320 2.218 2.645 0.045 9 0 "[ . 1 . ]" 1
477 1 52 ALA MB 1 53 GLU H 3.120 . 4.120 3.440 2.696 3.652 . 0 0 "[ . 1 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 12:32:23 PM GMT (wattos1)