NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375866 |
1f8p   |
5550 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f8p
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 325
_Distance_constraint_stats_list.Viol_count 592
_Distance_constraint_stats_list.Viol_total 554.089
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0551
_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 3 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 10 GLU 0.117 0.048 2 0 "[ . 1 . ]"
1 11 ASP 0.397 0.089 4 0 "[ . 1 . ]"
1 12 ALA 0.278 0.089 4 0 "[ . 1 . ]"
1 13 PRO 0.054 0.054 6 0 "[ . 1 . ]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 15 GLU 1.344 0.087 5 0 "[ . 1 . ]"
1 16 ASP 1.750 0.101 16 0 "[ . 1 . ]"
1 17 LEU 1.678 0.092 13 0 "[ . 1 . ]"
1 18 ALA 1.766 0.101 16 0 "[ . 1 . ]"
1 19 ARG 2.416 0.093 5 0 "[ . 1 . ]"
1 20 TYR 1.585 0.088 9 0 "[ . 1 . ]"
1 21 TYR 3.850 0.093 5 0 "[ . 1 . ]"
1 22 SER 3.325 0.095 13 0 "[ . 1 . ]"
1 23 ALA 1.116 0.092 9 0 "[ . 1 . ]"
1 24 LEU 0.650 0.108 14 0 "[ . 1 . ]"
1 25 ARG 3.641 0.092 15 0 "[ . 1 . ]"
1 26 HIS 1.673 0.093 4 0 "[ . 1 . ]"
1 27 TYR 3.994 0.098 11 0 "[ . 1 . ]"
1 28 ILE 2.649 0.089 10 0 "[ . 1 . ]"
1 29 ASN 3.928 0.092 13 0 "[ . 1 . ]"
1 30 LEU 2.156 0.092 13 0 "[ . 1 . ]"
1 31 ILE 3.095 0.098 11 0 "[ . 1 . ]"
1 32 THR 3.107 0.091 14 0 "[ . 1 . ]"
1 33 ARG 1.768 0.114 2 0 "[ . 1 . ]"
1 34 GLN 2.029 0.097 16 0 "[ . 1 . ]"
1 35 ARG 0.012 0.012 8 0 "[ . 1 . ]"
1 36 TYR 1.763 0.092 16 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 3 SER HB2 1 4 LYS H . . 5.500 3.643 2.231 4.757 . 0 0 "[ . 1 . ]" 1
2 1 3 SER HB3 1 4 LYS H . . 5.500 3.633 2.425 4.457 . 0 0 "[ . 1 . ]" 1
3 1 7 ASN H 1 8 PRO QD . . 6.380 3.600 2.596 4.500 . 0 0 "[ . 1 . ]" 1
4 1 7 ASN HA 1 8 PRO QD . . 3.550 2.094 2.005 2.175 . 0 0 "[ . 1 . ]" 1
5 1 8 PRO QD 1 9 GLY H . . 5.590 3.787 2.251 4.920 . 0 0 "[ . 1 . ]" 1
6 1 10 GLU H 1 10 GLU QB . . 3.790 2.817 2.261 3.385 . 0 0 "[ . 1 . ]" 1
7 1 10 GLU H 1 11 ASP H . . 4.110 3.709 2.753 4.158 0.048 2 0 "[ . 1 . ]" 1
8 1 10 GLU HA 1 11 ASP H . . 2.960 2.464 2.087 2.909 . 0 0 "[ . 1 . ]" 1
9 1 11 ASP H 1 11 ASP HB2 . . 4.070 3.161 2.382 4.030 . 0 0 "[ . 1 . ]" 1
10 1 11 ASP H 1 11 ASP QB . . 3.690 2.902 2.303 3.349 . 0 0 "[ . 1 . ]" 1
11 1 11 ASP H 1 11 ASP HB3 . . 4.070 3.594 2.887 4.125 0.055 7 0 "[ . 1 . ]" 1
12 1 11 ASP H 1 12 ALA H . . 3.270 2.997 2.132 3.359 0.089 4 0 "[ . 1 . ]" 1
13 1 11 ASP H 1 12 ALA MB . . 6.530 4.284 3.121 5.244 . 0 0 "[ . 1 . ]" 1
14 1 12 ALA H 1 13 PRO HD2 . . 5.500 4.669 3.433 5.068 . 0 0 "[ . 1 . ]" 1
15 1 12 ALA H 1 13 PRO QD . . 5.310 3.875 2.274 4.454 . 0 0 "[ . 1 . ]" 1
16 1 12 ALA H 1 13 PRO HD3 . . 5.500 4.200 2.307 4.968 . 0 0 "[ . 1 . ]" 1
17 1 12 ALA HA 1 13 PRO HD2 . . 3.020 2.689 2.299 3.074 0.054 6 0 "[ . 1 . ]" 1
18 1 12 ALA HA 1 13 PRO QD . . 2.810 2.146 2.054 2.279 . 0 0 "[ . 1 . ]" 1
19 1 12 ALA HA 1 13 PRO HD3 . . 3.020 2.324 2.121 2.710 . 0 0 "[ . 1 . ]" 1
20 1 12 ALA MB 1 14 ALA H . . 6.530 5.269 5.075 5.413 . 0 0 "[ . 1 . ]" 1
21 1 12 ALA MB 1 15 GLU QG . . 7.400 3.585 1.960 5.350 . 0 0 "[ . 1 . ]" 1
22 1 13 PRO HA 1 14 ALA H . . 2.680 2.250 2.154 2.579 . 0 0 "[ . 1 . ]" 1
23 1 13 PRO QB 1 14 ALA H . . 3.670 3.045 2.010 3.279 . 0 0 "[ . 1 . ]" 1
24 1 13 PRO QB 1 14 ALA HA . . 5.260 4.502 3.631 4.635 . 0 0 "[ . 1 . ]" 1
25 1 13 PRO HB2 1 14 ALA H . . 4.010 3.247 2.044 3.521 . 0 0 "[ . 1 . ]" 1
26 1 13 PRO HB3 1 14 ALA H . . 4.010 3.724 2.971 3.934 . 0 0 "[ . 1 . ]" 1
27 1 13 PRO QD 1 14 ALA H . . 5.590 4.872 4.599 4.947 . 0 0 "[ . 1 . ]" 1
28 1 14 ALA HA 1 17 LEU QB . . 4.210 2.922 2.146 3.463 . 0 0 "[ . 1 . ]" 1
29 1 14 ALA HA 1 17 LEU MD1 . . 6.310 4.283 2.031 5.366 . 0 0 "[ . 1 . ]" 1
30 1 14 ALA HA 1 17 LEU QD . . 6.020 2.758 2.025 3.696 . 0 0 "[ . 1 . ]" 1
31 1 14 ALA HA 1 17 LEU MD2 . . 6.310 3.120 2.182 4.024 . 0 0 "[ . 1 . ]" 1
32 1 14 ALA MB 1 15 GLU QG . . 7.400 4.916 4.301 5.477 . 0 0 "[ . 1 . ]" 1
33 1 15 GLU H 1 15 GLU HA . . 2.620 2.690 2.651 2.707 0.087 5 0 "[ . 1 . ]" 1
34 1 15 GLU H 1 15 GLU HB2 . . 3.270 2.128 1.976 2.388 . 0 0 "[ . 1 . ]" 1
35 1 15 GLU H 1 15 GLU QB . . 2.930 2.081 1.956 2.256 . 0 0 "[ . 1 . ]" 1
36 1 15 GLU H 1 15 GLU HB3 . . 3.270 3.046 2.741 3.293 0.023 9 0 "[ . 1 . ]" 1
37 1 15 GLU H 1 16 ASP H . . 2.930 2.899 2.832 2.997 0.067 9 0 "[ . 1 . ]" 1
38 1 15 GLU H 1 18 ALA MB . . 6.530 4.628 4.320 5.207 . 0 0 "[ . 1 . ]" 1
39 1 15 GLU HA 1 15 GLU HB2 . . 3.050 2.728 2.526 2.889 . 0 0 "[ . 1 . ]" 1
40 1 15 GLU HA 1 15 GLU HB3 . . 3.050 2.991 2.882 3.045 . 0 0 "[ . 1 . ]" 1
41 1 15 GLU HA 1 18 ALA H . . 3.920 3.402 2.957 3.667 . 0 0 "[ . 1 . ]" 1
42 1 15 GLU HA 1 18 ALA MB . . 4.880 2.556 2.218 2.958 . 0 0 "[ . 1 . ]" 1
43 1 15 GLU QB 1 16 ASP H . . 3.580 2.750 2.525 3.030 . 0 0 "[ . 1 . ]" 1
44 1 15 GLU HB2 1 16 ASP H . . 3.950 3.594 3.328 3.908 . 0 0 "[ . 1 . ]" 1
45 1 15 GLU HB3 1 16 ASP H . . 3.950 2.872 2.568 3.251 . 0 0 "[ . 1 . ]" 1
46 1 15 GLU QG 1 16 ASP H . . 6.380 4.330 3.860 4.660 . 0 0 "[ . 1 . ]" 1
47 1 16 ASP H 1 16 ASP HB2 . . 3.140 2.230 2.037 2.673 . 0 0 "[ . 1 . ]" 1
48 1 16 ASP H 1 16 ASP HB3 . . 3.140 2.986 2.501 3.222 0.082 8 0 "[ . 1 . ]" 1
49 1 16 ASP H 1 17 LEU H . . 3.020 2.737 2.405 2.983 . 0 0 "[ . 1 . ]" 1
50 1 16 ASP HA 1 16 ASP HB2 . . 3.050 2.750 2.433 2.934 . 0 0 "[ . 1 . ]" 1
51 1 16 ASP HA 1 16 ASP HB3 . . 3.050 3.015 2.904 3.121 0.071 4 0 "[ . 1 . ]" 1
52 1 16 ASP HA 1 18 ALA H . . 4.140 4.159 4.017 4.241 0.101 16 0 "[ . 1 . ]" 1
53 1 16 ASP HA 1 19 ARG H . . 3.950 3.380 3.185 3.624 . 0 0 "[ . 1 . ]" 1
54 1 16 ASP HA 1 19 ARG HB2 . . 3.830 2.837 2.362 3.820 . 0 0 "[ . 1 . ]" 1
55 1 16 ASP HA 1 19 ARG QB . . 3.650 2.725 2.332 3.377 . 0 0 "[ . 1 . ]" 1
56 1 16 ASP HA 1 19 ARG HB3 . . 3.830 3.676 3.461 3.890 0.060 6 0 "[ . 1 . ]" 1
57 1 16 ASP QB 1 17 LEU H . . 3.470 2.534 2.312 3.183 . 0 0 "[ . 1 . ]" 1
58 1 16 ASP HB2 1 17 LEU H . . 3.700 3.438 2.947 3.777 0.077 8 0 "[ . 1 . ]" 1
59 1 16 ASP HB3 1 17 LEU H . . 3.700 2.630 2.344 3.463 . 0 0 "[ . 1 . ]" 1
60 1 17 LEU H 1 17 LEU HA . . 2.900 2.848 2.784 2.908 0.008 15 0 "[ . 1 . ]" 1
61 1 17 LEU H 1 17 LEU QB . . 3.310 2.219 1.937 2.761 . 0 0 "[ . 1 . ]" 1
62 1 17 LEU H 1 17 LEU HG . . 3.480 3.142 2.024 3.572 0.092 13 0 "[ . 1 . ]" 1
63 1 17 LEU H 1 18 ALA H . . 2.900 2.592 2.230 2.782 . 0 0 "[ . 1 . ]" 1
64 1 17 LEU HA 1 17 LEU HG . . 3.730 3.620 3.225 3.818 0.088 16 0 "[ . 1 . ]" 1
65 1 17 LEU HA 1 20 TYR H . . 3.300 3.303 3.160 3.369 0.069 10 0 "[ . 1 . ]" 1
66 1 17 LEU HA 1 20 TYR QB . . 4.140 2.991 2.421 3.386 . 0 0 "[ . 1 . ]" 1
67 1 17 LEU HA 1 20 TYR QD . . 5.840 2.616 1.985 3.627 . 0 0 "[ . 1 . ]" 1
68 1 17 LEU HA 1 20 TYR QE . . 7.260 4.181 2.959 5.733 . 0 0 "[ . 1 . ]" 1
69 1 17 LEU QB 1 18 ALA H . . 4.050 3.156 2.609 3.544 . 0 0 "[ . 1 . ]" 1
70 1 17 LEU QB 1 20 TYR QD . . 8.520 3.456 2.759 4.102 . 0 0 "[ . 1 . ]" 1
71 1 17 LEU QD 1 18 ALA H . . 8.100 3.327 2.026 4.102 . 0 0 "[ . 1 . ]" 1
72 1 17 LEU QD 1 20 TYR QD . . 8.170 3.210 2.492 4.573 . 0 0 "[ . 1 . ]" 1
73 1 17 LEU QD 1 20 TYR QE . . 8.390 3.777 1.972 5.101 . 0 0 "[ . 1 . ]" 1
74 1 17 LEU MD1 1 20 TYR QD . . 8.670 3.698 2.533 4.959 . 0 0 "[ . 1 . ]" 1
75 1 17 LEU MD1 1 20 TYR QE . . 8.660 4.256 1.977 5.673 . 0 0 "[ . 1 . ]" 1
76 1 17 LEU MD1 1 21 TYR QE . . 8.660 3.877 2.839 4.790 . 0 0 "[ . 1 . ]" 1
77 1 17 LEU MD2 1 20 TYR QD . . 8.670 4.579 2.498 5.734 . 0 0 "[ . 1 . ]" 1
78 1 17 LEU MD2 1 20 TYR QE . . 8.660 4.935 2.938 6.038 . 0 0 "[ . 1 . ]" 1
79 1 17 LEU MD2 1 21 TYR QE . . 8.660 5.197 3.811 5.950 . 0 0 "[ . 1 . ]" 1
80 1 17 LEU HG 1 18 ALA H . . 4.010 2.944 2.334 4.037 0.027 15 0 "[ . 1 . ]" 1
81 1 18 ALA H 1 18 ALA HA . . 2.930 2.863 2.782 2.960 0.030 7 0 "[ . 1 . ]" 1
82 1 18 ALA H 1 18 ALA MB . . 3.580 2.168 2.046 2.269 . 0 0 "[ . 1 . ]" 1
83 1 18 ALA HA 1 21 TYR H . . 3.300 3.360 3.324 3.383 0.083 4 0 "[ . 1 . ]" 1
84 1 18 ALA HA 1 21 TYR QB . . 3.990 2.135 1.988 2.303 . 0 0 "[ . 1 . ]" 1
85 1 18 ALA HA 1 21 TYR QD . . 6.590 3.356 2.341 4.071 . 0 0 "[ . 1 . ]" 1
86 1 18 ALA HA 1 21 TYR QE . . 7.630 5.118 4.672 5.572 . 0 0 "[ . 1 . ]" 1
87 1 18 ALA MB 1 19 ARG H . . 4.390 2.929 2.658 3.224 . 0 0 "[ . 1 . ]" 1
88 1 18 ALA MB 1 19 ARG HA . . 5.470 3.957 3.795 4.112 . 0 0 "[ . 1 . ]" 1
89 1 18 ALA MB 1 21 TYR QB . . 7.400 3.497 3.394 3.647 . 0 0 "[ . 1 . ]" 1
90 1 18 ALA MB 1 21 TYR QD . . 8.670 4.298 3.521 4.696 . 0 0 "[ . 1 . ]" 1
91 1 18 ALA MB 1 21 TYR QE . . 8.660 5.563 5.148 5.977 . 0 0 "[ . 1 . ]" 1
92 1 19 ARG H 1 19 ARG HB2 . . 3.170 2.246 2.086 2.553 . 0 0 "[ . 1 . ]" 1
93 1 19 ARG H 1 19 ARG QB . . 2.830 2.144 2.020 2.186 . 0 0 "[ . 1 . ]" 1
94 1 19 ARG H 1 19 ARG HB3 . . 3.170 2.798 2.354 3.049 . 0 0 "[ . 1 . ]" 1
95 1 19 ARG H 1 19 ARG HG2 . . 5.190 4.466 4.123 4.665 . 0 0 "[ . 1 . ]" 1
96 1 19 ARG H 1 19 ARG QG . . 5.020 3.913 3.679 4.010 . 0 0 "[ . 1 . ]" 1
97 1 19 ARG H 1 19 ARG HG3 . . 5.190 4.338 3.897 4.472 . 0 0 "[ . 1 . ]" 1
98 1 19 ARG H 1 21 TYR H . . 3.610 3.660 3.551 3.703 0.093 5 0 "[ . 1 . ]" 1
99 1 19 ARG HA 1 19 ARG HB2 . . 2.960 2.666 2.182 2.849 . 0 0 "[ . 1 . ]" 1
100 1 19 ARG HA 1 19 ARG HB3 . . 2.960 3.017 2.981 3.036 0.076 13 0 "[ . 1 . ]" 1
101 1 19 ARG HA 1 19 ARG HD2 . . 5.500 3.513 2.041 4.752 . 0 0 "[ . 1 . ]" 1
102 1 19 ARG HA 1 19 ARG HD3 . . 5.500 3.805 2.327 4.612 . 0 0 "[ . 1 . ]" 1
103 1 19 ARG HA 1 22 SER H . . 3.670 3.686 3.594 3.744 0.074 13 0 "[ . 1 . ]" 1
104 1 19 ARG HB2 1 20 TYR H . . 3.730 3.413 3.176 3.646 . 0 0 "[ . 1 . ]" 1
105 1 19 ARG HB3 1 20 TYR H . . 3.730 2.372 2.074 2.654 . 0 0 "[ . 1 . ]" 1
106 1 20 TYR H 1 20 TYR QB . . 3.770 2.288 2.038 2.643 . 0 0 "[ . 1 . ]" 1
107 1 20 TYR H 1 21 TYR H . . 2.930 2.568 2.462 2.656 . 0 0 "[ . 1 . ]" 1
108 1 20 TYR HA 1 21 TYR H . . 3.360 3.427 3.411 3.448 0.088 9 0 "[ . 1 . ]" 1
109 1 20 TYR HA 1 23 ALA H . . 4.010 3.531 3.450 3.724 . 0 0 "[ . 1 . ]" 1
110 1 20 TYR HA 1 23 ALA MB . . 4.420 3.106 2.920 3.381 . 0 0 "[ . 1 . ]" 1
111 1 20 TYR HA 1 24 LEU QD . . 8.100 5.258 5.018 5.473 . 0 0 "[ . 1 . ]" 1
112 1 20 TYR QB 1 21 TYR H . . 4.330 3.118 2.882 3.551 . 0 0 "[ . 1 . ]" 1
113 1 20 TYR QB 1 21 TYR QD . . 8.520 4.954 3.927 5.754 . 0 0 "[ . 1 . ]" 1
114 1 20 TYR QB 1 24 LEU MD1 . . 7.400 4.815 4.105 5.483 . 0 0 "[ . 1 . ]" 1
115 1 20 TYR QB 1 24 LEU MD2 . . 7.400 5.170 4.423 5.524 . 0 0 "[ . 1 . ]" 1
116 1 20 TYR QD 1 21 TYR H . . 7.640 4.014 3.421 4.537 . 0 0 "[ . 1 . ]" 1
117 1 20 TYR QD 1 23 ALA MB . . 8.450 3.938 2.968 4.680 . 0 0 "[ . 1 . ]" 1
118 1 20 TYR QE 1 23 ALA MB . . 8.660 5.344 4.018 6.236 . 0 0 "[ . 1 . ]" 1
119 1 21 TYR H 1 21 TYR QB . . 3.710 2.043 1.978 2.165 . 0 0 "[ . 1 . ]" 1
120 1 21 TYR H 1 23 ALA H . . 4.290 4.296 4.144 4.382 0.092 9 0 "[ . 1 . ]" 1
121 1 21 TYR HA 1 24 LEU H . . 4.140 3.316 3.160 3.592 . 0 0 "[ . 1 . ]" 1
122 1 21 TYR HA 1 24 LEU QB . . 4.520 2.145 2.006 2.338 . 0 0 "[ . 1 . ]" 1
123 1 21 TYR HA 1 24 LEU MD1 . . 5.660 3.562 2.942 4.819 . 0 0 "[ . 1 . ]" 1
124 1 21 TYR HA 1 24 LEU MD2 . . 5.660 4.382 2.812 4.853 . 0 0 "[ . 1 . ]" 1
125 1 21 TYR HA 1 24 LEU HG . . 4.110 3.911 3.514 4.142 0.032 9 0 "[ . 1 . ]" 1
126 1 21 TYR QB 1 22 SER H . . 4.390 2.593 2.492 2.774 . 0 0 "[ . 1 . ]" 1
127 1 21 TYR QD 1 22 SER H . . 7.640 4.437 4.237 4.686 . 0 0 "[ . 1 . ]" 1
128 1 21 TYR QD 1 22 SER HA . . 7.640 4.544 3.948 5.150 . 0 0 "[ . 1 . ]" 1
129 1 21 TYR QD 1 24 LEU QB . . 8.520 3.646 2.752 4.150 . 0 0 "[ . 1 . ]" 1
130 1 21 TYR QD 1 24 LEU MD1 . . 8.670 4.185 2.918 6.004 . 0 0 "[ . 1 . ]" 1
131 1 21 TYR QD 1 24 LEU QD . . 8.460 3.567 2.627 4.317 . 0 0 "[ . 1 . ]" 1
132 1 21 TYR QD 1 24 LEU MD2 . . 8.670 5.089 2.635 6.116 . 0 0 "[ . 1 . ]" 1
133 1 21 TYR QD 1 24 LEU HG . . 7.640 5.316 4.626 6.110 . 0 0 "[ . 1 . ]" 1
134 1 21 TYR QD 1 25 ARG QB . . 8.520 3.977 3.223 4.741 . 0 0 "[ . 1 . ]" 1
135 1 21 TYR QD 1 25 ARG QD . . 8.520 5.068 4.292 5.710 . 0 0 "[ . 1 . ]" 1
136 1 21 TYR QE 1 22 SER HA . . 7.630 6.545 6.084 7.027 . 0 0 "[ . 1 . ]" 1
137 1 21 TYR QE 1 24 LEU MD1 . . 8.660 4.562 3.558 6.510 . 0 0 "[ . 1 . ]" 1
138 1 21 TYR QE 1 24 LEU MD2 . . 8.660 5.562 3.083 6.631 . 0 0 "[ . 1 . ]" 1
139 1 21 TYR QE 1 24 LEU HG . . 7.630 6.281 5.453 7.082 . 0 0 "[ . 1 . ]" 1
140 1 21 TYR QE 1 25 ARG QD . . 8.510 5.799 5.051 6.641 . 0 0 "[ . 1 . ]" 1
141 1 22 SER H 1 22 SER HA . . 2.620 2.707 2.688 2.715 0.095 13 0 "[ . 1 . ]" 1
142 1 22 SER H 1 23 ALA H . . 2.930 2.786 2.686 2.911 . 0 0 "[ . 1 . ]" 1
143 1 22 SER HA 1 23 ALA MB . . 6.340 5.044 4.967 5.094 . 0 0 "[ . 1 . ]" 1
144 1 22 SER HA 1 25 ARG H . . 3.360 3.312 3.233 3.438 0.078 10 0 "[ . 1 . ]" 1
145 1 22 SER HA 1 25 ARG HB2 . . 3.580 3.632 3.477 3.672 0.092 15 0 "[ . 1 . ]" 1
146 1 22 SER HA 1 25 ARG HB3 . . 3.580 2.567 2.427 2.660 . 0 0 "[ . 1 . ]" 1
147 1 22 SER HA 1 25 ARG QD . . 6.380 3.800 3.404 4.118 . 0 0 "[ . 1 . ]" 1
148 1 22 SER HA 1 25 ARG HG2 . . 5.500 4.483 4.301 4.716 . 0 0 "[ . 1 . ]" 1
149 1 22 SER HA 1 25 ARG HG3 . . 5.500 5.477 5.336 5.567 0.067 17 0 "[ . 1 . ]" 1
150 1 23 ALA H 1 23 ALA MB . . 3.550 2.184 2.061 2.324 . 0 0 "[ . 1 . ]" 1
151 1 23 ALA H 1 24 LEU H . . 2.800 2.534 2.406 2.760 . 0 0 "[ . 1 . ]" 1
152 1 23 ALA H 1 25 ARG H . . 3.860 3.858 3.626 3.928 0.068 13 0 "[ . 1 . ]" 1
153 1 23 ALA HA 1 26 HIS H . . 3.610 3.317 3.130 3.466 . 0 0 "[ . 1 . ]" 1
154 1 23 ALA HA 1 26 HIS HB2 . . 3.360 3.289 3.177 3.391 0.031 15 0 "[ . 1 . ]" 1
155 1 23 ALA HA 1 26 HIS QB . . 3.150 2.870 2.792 2.954 . 0 0 "[ . 1 . ]" 1
156 1 23 ALA HA 1 26 HIS HB3 . . 3.360 3.165 3.019 3.284 . 0 0 "[ . 1 . ]" 1
157 1 23 ALA HA 1 26 HIS HD2 . . 5.500 4.879 4.784 4.993 . 0 0 "[ . 1 . ]" 1
158 1 23 ALA HA 1 27 TYR QD . . 7.640 4.538 4.375 5.305 . 0 0 "[ . 1 . ]" 1
159 1 23 ALA HA 1 27 TYR QE . . 7.630 5.994 5.876 6.496 . 0 0 "[ . 1 . ]" 1
160 1 23 ALA MB 1 24 LEU H . . 4.080 2.651 2.405 2.944 . 0 0 "[ . 1 . ]" 1
161 1 23 ALA MB 1 26 HIS HB2 . . 6.530 4.764 4.685 4.836 . 0 0 "[ . 1 . ]" 1
162 1 23 ALA MB 1 26 HIS HB3 . . 6.530 4.292 4.155 4.426 . 0 0 "[ . 1 . ]" 1
163 1 23 ALA MB 1 26 HIS HD2 . . 6.530 5.299 5.174 5.375 . 0 0 "[ . 1 . ]" 1
164 1 23 ALA MB 1 27 TYR QD . . 8.390 3.766 3.243 4.280 . 0 0 "[ . 1 . ]" 1
165 1 23 ALA MB 1 27 TYR QE . . 8.040 4.530 4.229 4.915 . 0 0 "[ . 1 . ]" 1
166 1 24 LEU H 1 24 LEU HA . . 2.930 2.806 2.704 2.896 . 0 0 "[ . 1 . ]" 1
167 1 24 LEU H 1 24 LEU HG . . 4.010 3.414 2.950 4.118 0.108 14 0 "[ . 1 . ]" 1
168 1 24 LEU HA 1 24 LEU MD1 . . 4.570 3.315 1.966 3.790 . 0 0 "[ . 1 . ]" 1
169 1 24 LEU HA 1 24 LEU QD . . 4.020 1.973 1.892 2.071 . 0 0 "[ . 1 . ]" 1
170 1 24 LEU HA 1 24 LEU MD2 . . 4.570 2.408 1.897 3.916 . 0 0 "[ . 1 . ]" 1
171 1 24 LEU HA 1 24 LEU HG . . 3.110 2.967 2.709 3.186 0.076 4 0 "[ . 1 . ]" 1
172 1 24 LEU HA 1 25 ARG H . . 3.610 3.549 3.479 3.659 0.049 14 0 "[ . 1 . ]" 1
173 1 24 LEU HA 1 27 TYR QB . . 4.390 2.539 2.372 2.715 . 0 0 "[ . 1 . ]" 1
174 1 24 LEU QB 1 25 ARG H . . 5.200 2.787 2.695 2.904 . 0 0 "[ . 1 . ]" 1
175 1 24 LEU QD 1 28 ILE HA . . 8.100 4.811 4.477 5.465 . 0 0 "[ . 1 . ]" 1
176 1 24 LEU MD1 1 25 ARG H . . 6.530 4.742 4.540 4.852 . 0 0 "[ . 1 . ]" 1
177 1 24 LEU MD1 1 25 ARG HA . . 6.530 5.299 4.913 5.409 . 0 0 "[ . 1 . ]" 1
178 1 24 LEU MD1 1 27 TYR QB . . 7.400 4.526 2.957 5.128 . 0 0 "[ . 1 . ]" 1
179 1 24 LEU MD1 1 27 TYR QD . . 8.670 5.733 4.126 6.383 . 0 0 "[ . 1 . ]" 1
180 1 24 LEU MD2 1 25 ARG H . . 6.530 4.564 4.402 4.797 . 0 0 "[ . 1 . ]" 1
181 1 24 LEU MD2 1 25 ARG HA . . 6.530 5.038 4.672 5.399 . 0 0 "[ . 1 . ]" 1
182 1 24 LEU MD2 1 27 TYR QB . . 7.400 3.487 2.693 5.296 . 0 0 "[ . 1 . ]" 1
183 1 24 LEU MD2 1 27 TYR QD . . 8.670 4.546 3.292 6.616 . 0 0 "[ . 1 . ]" 1
184 1 24 LEU HG 1 25 ARG H . . 5.130 4.763 3.902 5.184 0.054 11 0 "[ . 1 . ]" 1
185 1 25 ARG H 1 25 ARG HB2 . . 2.800 2.865 2.847 2.884 0.084 2 0 "[ . 1 . ]" 1
186 1 25 ARG H 1 25 ARG HB3 . . 2.800 2.289 2.226 2.374 . 0 0 "[ . 1 . ]" 1
187 1 25 ARG H 1 25 ARG HG2 . . 5.500 4.169 4.078 4.324 . 0 0 "[ . 1 . ]" 1
188 1 25 ARG H 1 25 ARG QG . . 5.040 3.841 3.760 3.938 . 0 0 "[ . 1 . ]" 1
189 1 25 ARG H 1 25 ARG HG3 . . 5.500 4.498 4.406 4.569 . 0 0 "[ . 1 . ]" 1
190 1 25 ARG H 1 26 HIS H . . 3.140 2.726 2.528 2.820 . 0 0 "[ . 1 . ]" 1
191 1 25 ARG HA 1 25 ARG HG2 . . 3.790 3.633 3.501 3.731 . 0 0 "[ . 1 . ]" 1
192 1 25 ARG HA 1 25 ARG HG3 . . 3.790 2.791 2.668 2.887 . 0 0 "[ . 1 . ]" 1
193 1 25 ARG HA 1 28 ILE H . . 3.830 3.693 3.217 3.851 0.021 16 0 "[ . 1 . ]" 1
194 1 25 ARG HA 1 28 ILE HB . . 2.800 2.701 2.411 2.794 . 0 0 "[ . 1 . ]" 1
195 1 25 ARG HA 1 28 ILE MD . . 4.950 3.664 2.230 3.990 . 0 0 "[ . 1 . ]" 1
196 1 25 ARG HA 1 28 ILE HG12 . . 5.500 5.332 4.300 5.567 0.067 12 0 "[ . 1 . ]" 1
197 1 25 ARG HA 1 28 ILE QG . . 4.830 4.145 3.739 4.249 . 0 0 "[ . 1 . ]" 1
198 1 25 ARG HA 1 28 ILE HG13 . . 5.500 4.422 3.911 5.435 . 0 0 "[ . 1 . ]" 1
199 1 25 ARG HA 1 28 ILE MG . . 5.500 4.004 3.596 4.136 . 0 0 "[ . 1 . ]" 1
200 1 26 HIS H 1 26 HIS HB2 . . 3.050 2.339 2.241 2.492 . 0 0 "[ . 1 . ]" 1
201 1 26 HIS H 1 26 HIS HB3 . . 3.050 2.719 2.621 2.805 . 0 0 "[ . 1 . ]" 1
202 1 26 HIS H 1 27 TYR H . . 2.990 2.796 2.677 2.886 . 0 0 "[ . 1 . ]" 1
203 1 26 HIS HA 1 29 ASN H . . 5.070 3.764 3.372 3.896 . 0 0 "[ . 1 . ]" 1
204 1 26 HIS HA 1 29 ASN HB2 . . 3.520 3.429 2.321 3.601 0.081 8 0 "[ . 1 . ]" 1
205 1 26 HIS HA 1 29 ASN QB . . 3.280 2.551 2.284 3.011 . 0 0 "[ . 1 . ]" 1
206 1 26 HIS HA 1 29 ASN HB3 . . 3.520 2.741 2.385 3.454 . 0 0 "[ . 1 . ]" 1
207 1 26 HIS QB 1 27 TYR H . . 3.340 2.373 2.139 2.487 . 0 0 "[ . 1 . ]" 1
208 1 26 HIS HB2 1 27 TYR H . . 3.610 3.652 3.594 3.703 0.093 4 0 "[ . 1 . ]" 1
209 1 26 HIS HB3 1 27 TYR H . . 3.610 2.405 2.154 2.529 . 0 0 "[ . 1 . ]" 1
210 1 26 HIS HD2 1 27 TYR H . . 5.500 4.467 3.881 4.648 . 0 0 "[ . 1 . ]" 1
211 1 26 HIS HD2 1 27 TYR HA . . 5.000 4.843 4.249 5.021 0.021 11 0 "[ . 1 . ]" 1
212 1 26 HIS HD2 1 27 TYR QD . . 7.640 4.497 3.766 5.082 . 0 0 "[ . 1 . ]" 1
213 1 26 HIS HD2 1 27 TYR QE . . 7.630 5.085 4.484 5.524 . 0 0 "[ . 1 . ]" 1
214 1 26 HIS HD2 1 30 LEU QD . . 7.420 3.354 2.926 3.644 . 0 0 "[ . 1 . ]" 1
215 1 26 HIS HD2 1 30 LEU HG . . 5.500 5.463 5.374 5.544 0.044 7 0 "[ . 1 . ]" 1
216 1 27 TYR H 1 27 TYR HA . . 2.800 2.865 2.840 2.895 0.095 2 0 "[ . 1 . ]" 1
217 1 27 TYR H 1 27 TYR QB . . 3.870 2.122 2.034 2.251 . 0 0 "[ . 1 . ]" 1
218 1 27 TYR H 1 28 ILE H . . 2.930 2.974 2.902 3.011 0.081 13 0 "[ . 1 . ]" 1
219 1 27 TYR HA 1 29 ASN H . . 4.110 4.052 3.844 4.201 0.091 10 0 "[ . 1 . ]" 1
220 1 27 TYR HA 1 30 LEU H . . 3.670 3.415 3.212 3.504 . 0 0 "[ . 1 . ]" 1
221 1 27 TYR HA 1 30 LEU QB . . 4.800 4.183 3.519 4.392 . 0 0 "[ . 1 . ]" 1
222 1 27 TYR HA 1 30 LEU QD . . 6.360 2.371 2.064 2.522 . 0 0 "[ . 1 . ]" 1
223 1 27 TYR HA 1 30 LEU HG . . 3.980 2.193 2.076 2.281 . 0 0 "[ . 1 . ]" 1
224 1 27 TYR HA 1 31 ILE HB . . 3.700 3.749 3.612 3.798 0.098 11 0 "[ . 1 . ]" 1
225 1 27 TYR QB 1 30 LEU QB . . 7.250 5.806 5.369 5.879 . 0 0 "[ . 1 . ]" 1
226 1 27 TYR QB 1 30 LEU HG . . 6.380 4.242 4.115 4.317 . 0 0 "[ . 1 . ]" 1
227 1 27 TYR QB 1 31 ILE HB . . 6.380 3.479 2.839 3.739 . 0 0 "[ . 1 . ]" 1
228 1 27 TYR QB 1 31 ILE MD . . 7.400 4.921 3.137 5.266 . 0 0 "[ . 1 . ]" 1
229 1 27 TYR QB 1 31 ILE MG . . 7.400 3.988 3.710 4.098 . 0 0 "[ . 1 . ]" 1
230 1 27 TYR QD 1 30 LEU QB . . 8.520 5.522 4.806 5.860 . 0 0 "[ . 1 . ]" 1
231 1 27 TYR QD 1 30 LEU QD . . 9.030 2.807 2.159 3.267 . 0 0 "[ . 1 . ]" 1
232 1 27 TYR QD 1 30 LEU HG . . 7.640 4.026 3.128 4.566 . 0 0 "[ . 1 . ]" 1
233 1 27 TYR QD 1 31 ILE MD . . 8.670 4.414 2.036 4.847 . 0 0 "[ . 1 . ]" 1
234 1 27 TYR QD 1 31 ILE MG . . 8.670 4.469 4.329 4.950 . 0 0 "[ . 1 . ]" 1
235 1 27 TYR QE 1 30 LEU QD . . 9.760 3.486 2.420 3.842 . 0 0 "[ . 1 . ]" 1
236 1 27 TYR QE 1 31 ILE MD . . 8.660 5.399 3.183 5.933 . 0 0 "[ . 1 . ]" 1
237 1 27 TYR QE 1 31 ILE MG . . 8.660 6.144 5.992 6.349 . 0 0 "[ . 1 . ]" 1
238 1 28 ILE H 1 28 ILE HB . . 2.740 2.496 2.197 2.628 . 0 0 "[ . 1 . ]" 1
239 1 28 ILE H 1 28 ILE HG12 . . 4.170 3.336 3.082 3.762 . 0 0 "[ . 1 . ]" 1
240 1 28 ILE H 1 28 ILE QG . . 3.710 2.216 1.995 3.402 . 0 0 "[ . 1 . ]" 1
241 1 28 ILE H 1 28 ILE HG13 . . 4.170 2.295 2.015 3.880 . 0 0 "[ . 1 . ]" 1
242 1 28 ILE H 1 29 ASN H . . 2.990 2.894 2.780 3.028 0.038 9 0 "[ . 1 . ]" 1
243 1 28 ILE HA 1 28 ILE HB . . 2.930 2.980 2.935 3.007 0.077 4 0 "[ . 1 . ]" 1
244 1 28 ILE HA 1 28 ILE HG12 . . 3.700 2.532 2.289 3.544 . 0 0 "[ . 1 . ]" 1
245 1 28 ILE HA 1 28 ILE HG13 . . 3.700 2.855 2.399 3.069 . 0 0 "[ . 1 . ]" 1
246 1 28 ILE HA 1 31 ILE H . . 4.140 3.816 3.580 4.077 . 0 0 "[ . 1 . ]" 1
247 1 28 ILE HA 1 31 ILE QG . . 5.970 4.081 3.849 4.410 . 0 0 "[ . 1 . ]" 1
248 1 28 ILE HA 1 32 THR MG . . 6.060 3.409 3.198 4.447 . 0 0 "[ . 1 . ]" 1
249 1 28 ILE HB 1 29 ASN H . . 3.080 3.084 2.994 3.169 0.089 10 0 "[ . 1 . ]" 1
250 1 28 ILE MD 1 29 ASN H . . 6.530 4.905 4.297 5.095 . 0 0 "[ . 1 . ]" 1
251 1 28 ILE MG 1 29 ASN H . . 5.540 3.700 3.259 3.893 . 0 0 "[ . 1 . ]" 1
252 1 28 ILE MG 1 29 ASN HA . . 5.410 3.828 3.479 4.058 . 0 0 "[ . 1 . ]" 1
253 1 28 ILE MG 1 32 THR HB . . 6.530 4.698 3.869 4.880 . 0 0 "[ . 1 . ]" 1
254 1 29 ASN H 1 29 ASN HB2 . . 3.140 2.662 2.087 2.893 . 0 0 "[ . 1 . ]" 1
255 1 29 ASN H 1 29 ASN QB . . 2.860 2.167 2.061 2.260 . 0 0 "[ . 1 . ]" 1
256 1 29 ASN H 1 29 ASN HB3 . . 3.140 2.395 2.177 3.209 0.069 11 0 "[ . 1 . ]" 1
257 1 29 ASN H 1 30 LEU H . . 2.990 2.583 2.421 2.757 . 0 0 "[ . 1 . ]" 1
258 1 29 ASN HA 1 29 ASN HB2 . . 2.960 2.460 2.343 2.966 0.006 11 0 "[ . 1 . ]" 1
259 1 29 ASN HA 1 29 ASN HB3 . . 2.960 3.011 2.897 3.048 0.088 15 0 "[ . 1 . ]" 1
260 1 29 ASN HA 1 32 THR H . . 4.200 3.977 3.829 4.065 . 0 0 "[ . 1 . ]" 1
261 1 29 ASN HA 1 32 THR MG . . 5.850 3.766 2.109 4.152 . 0 0 "[ . 1 . ]" 1
262 1 29 ASN HB2 1 30 LEU H . . 3.700 3.706 2.909 3.792 0.092 13 0 "[ . 1 . ]" 1
263 1 29 ASN HB3 1 30 LEU H . . 3.700 2.424 2.321 3.059 . 0 0 "[ . 1 . ]" 1
264 1 30 LEU H 1 30 LEU HG . . 2.930 2.195 1.992 2.787 . 0 0 "[ . 1 . ]" 1
265 1 30 LEU H 1 31 ILE H . . 2.930 2.529 2.320 2.737 . 0 0 "[ . 1 . ]" 1
266 1 30 LEU H 1 32 THR H . . 3.890 3.932 3.768 3.981 0.091 14 0 "[ . 1 . ]" 1
267 1 30 LEU HA 1 31 ILE MG . . 6.530 5.377 5.308 5.423 . 0 0 "[ . 1 . ]" 1
268 1 30 LEU HA 1 33 ARG H . . 3.640 3.041 2.861 3.239 . 0 0 "[ . 1 . ]" 1
269 1 30 LEU HA 1 33 ARG HB2 . . 3.580 2.119 2.029 2.281 . 0 0 "[ . 1 . ]" 1
270 1 30 LEU HA 1 33 ARG HB3 . . 3.860 3.254 2.732 3.526 . 0 0 "[ . 1 . ]" 1
271 1 30 LEU HA 1 33 ARG QD . . 5.380 3.128 2.091 4.080 . 0 0 "[ . 1 . ]" 1
272 1 30 LEU HA 1 34 GLN H . . 4.630 4.254 3.548 4.598 . 0 0 "[ . 1 . ]" 1
273 1 30 LEU QB 1 31 ILE H . . 5.230 3.399 3.231 3.524 . 0 0 "[ . 1 . ]" 1
274 1 30 LEU QD 1 31 ILE HA . . 7.630 2.543 2.212 2.771 . 0 0 "[ . 1 . ]" 1
275 1 30 LEU QD 1 33 ARG QD . . 8.510 4.948 4.334 5.529 . 0 0 "[ . 1 . ]" 1
276 1 30 LEU HG 1 31 ILE H . . 4.940 2.365 1.848 2.652 . 0 0 "[ . 1 . ]" 1
277 1 30 LEU HG 1 31 ILE HA . . 5.500 4.509 3.809 4.749 . 0 0 "[ . 1 . ]" 1
278 1 31 ILE H 1 31 ILE HB . . 2.870 2.027 1.942 2.131 . 0 0 "[ . 1 . ]" 1
279 1 31 ILE H 1 31 ILE HG12 . . 3.980 3.785 3.603 4.015 0.035 17 0 "[ . 1 . ]" 1
280 1 31 ILE H 1 31 ILE HG13 . . 3.980 4.049 4.024 4.070 0.090 2 0 "[ . 1 . ]" 1
281 1 31 ILE HA 1 31 ILE HB . . 2.960 2.784 2.692 2.985 0.025 17 0 "[ . 1 . ]" 1
282 1 31 ILE HA 1 31 ILE HG12 . . 4.040 2.295 2.135 3.589 . 0 0 "[ . 1 . ]" 1
283 1 31 ILE HA 1 31 ILE QG . . 3.670 2.203 2.113 2.386 . 0 0 "[ . 1 . ]" 1
284 1 31 ILE HA 1 31 ILE HG13 . . 4.040 3.446 2.422 3.579 . 0 0 "[ . 1 . ]" 1
285 1 31 ILE HA 1 32 THR H . . 3.580 3.576 3.434 3.659 0.079 4 0 "[ . 1 . ]" 1
286 1 31 ILE HA 1 32 THR MG . . 6.530 4.998 4.781 5.168 . 0 0 "[ . 1 . ]" 1
287 1 31 ILE HA 1 34 GLN H . . 4.070 3.990 3.877 4.123 0.053 7 0 "[ . 1 . ]" 1
288 1 31 ILE HA 1 34 GLN QB . . 5.140 3.794 3.064 4.552 . 0 0 "[ . 1 . ]" 1
289 1 31 ILE HA 1 34 GLN QG . . 6.380 4.617 2.396 5.524 . 0 0 "[ . 1 . ]" 1
290 1 31 ILE HA 1 35 ARG H . . 4.720 4.257 3.848 4.697 . 0 0 "[ . 1 . ]" 1
291 1 31 ILE HB 1 32 THR H . . 3.420 3.436 3.350 3.496 0.076 2 0 "[ . 1 . ]" 1
292 1 31 ILE MD 1 35 ARG HD2 . . 6.530 3.161 2.030 4.401 . 0 0 "[ . 1 . ]" 1
293 1 31 ILE MD 1 35 ARG HD3 . . 6.530 3.654 2.046 5.091 . 0 0 "[ . 1 . ]" 1
294 1 31 ILE MG 1 32 THR H . . 5.160 2.137 1.926 2.443 . 0 0 "[ . 1 . ]" 1
295 1 31 ILE MG 1 32 THR HB . . 6.530 4.270 3.147 4.465 . 0 0 "[ . 1 . ]" 1
296 1 31 ILE MG 1 35 ARG HD2 . . 6.530 4.139 3.013 5.313 . 0 0 "[ . 1 . ]" 1
297 1 31 ILE MG 1 35 ARG QD . . 6.360 3.541 2.463 4.584 . 0 0 "[ . 1 . ]" 1
298 1 31 ILE MG 1 35 ARG HD3 . . 6.530 4.043 2.500 5.263 . 0 0 "[ . 1 . ]" 1
299 1 31 ILE MG 1 36 TYR QD . . 8.670 4.941 4.509 5.786 . 0 0 "[ . 1 . ]" 1
300 1 31 ILE MG 1 36 TYR QE . . 8.660 5.900 3.495 6.515 . 0 0 "[ . 1 . ]" 1
301 1 32 THR H 1 32 THR HA . . 2.830 2.869 2.788 2.909 0.079 14 0 "[ . 1 . ]" 1
302 1 32 THR H 1 32 THR HB . . 3.670 3.526 2.655 3.708 0.038 14 0 "[ . 1 . ]" 1
303 1 32 THR H 1 32 THR MG . . 4.540 2.475 2.204 2.580 . 0 0 "[ . 1 . ]" 1
304 1 32 THR HA 1 36 TYR QD . . 7.640 3.757 2.968 4.874 . 0 0 "[ . 1 . ]" 1
305 1 32 THR HB 1 36 TYR H . . 3.480 3.517 3.390 3.557 0.077 7 0 "[ . 1 . ]" 1
306 1 32 THR HB 1 36 TYR QD . . 7.640 3.573 2.169 5.266 . 0 0 "[ . 1 . ]" 1
307 1 32 THR MG 1 36 TYR H . . 5.880 3.822 3.385 4.234 . 0 0 "[ . 1 . ]" 1
308 1 32 THR MG 1 36 TYR QD . . 8.670 2.998 1.989 3.831 . 0 0 "[ . 1 . ]" 1
309 1 32 THR MG 1 36 TYR QE . . 8.660 4.110 3.208 5.594 . 0 0 "[ . 1 . ]" 1
310 1 33 ARG H 1 33 ARG HB2 . . 2.740 2.073 1.996 2.179 . 0 0 "[ . 1 . ]" 1
311 1 33 ARG H 1 33 ARG HB3 . . 3.270 3.266 3.177 3.333 0.063 17 0 "[ . 1 . ]" 1
312 1 33 ARG HA 1 33 ARG HB2 . . 2.650 2.692 2.594 2.764 0.114 2 0 "[ . 1 . ]" 1
313 1 33 ARG HB2 1 34 GLN H . . 3.210 3.236 3.083 3.291 0.081 6 0 "[ . 1 . ]" 1
314 1 34 GLN H 1 34 GLN HA . . 2.830 2.899 2.797 2.927 0.097 16 0 "[ . 1 . ]" 1
315 1 34 GLN QB 1 35 ARG H . . 4.490 2.709 2.187 3.663 . 0 0 "[ . 1 . ]" 1
316 1 35 ARG H 1 35 ARG QB . . 3.740 2.467 2.023 3.475 . 0 0 "[ . 1 . ]" 1
317 1 35 ARG H 1 35 ARG HG2 . . 5.070 4.310 3.940 4.577 . 0 0 "[ . 1 . ]" 1
318 1 35 ARG H 1 35 ARG QG . . 4.770 3.370 2.604 4.048 . 0 0 "[ . 1 . ]" 1
319 1 35 ARG H 1 35 ARG HG3 . . 5.070 3.590 2.634 4.634 . 0 0 "[ . 1 . ]" 1
320 1 35 ARG HA 1 35 ARG HG2 . . 4.260 3.004 2.245 4.272 0.012 8 0 "[ . 1 . ]" 1
321 1 35 ARG HA 1 35 ARG HG3 . . 4.260 2.789 2.243 3.708 . 0 0 "[ . 1 . ]" 1
322 1 35 ARG QB 1 36 TYR QD . . 8.520 3.723 2.303 5.170 . 0 0 "[ . 1 . ]" 1
323 1 35 ARG QB 1 36 TYR QE . . 8.510 5.354 2.857 6.871 . 0 0 "[ . 1 . ]" 1
324 1 36 TYR H 1 36 TYR HB2 . . 3.240 2.480 1.960 3.332 0.092 16 0 "[ . 1 . ]" 1
325 1 36 TYR H 1 36 TYR HB3 . . 3.240 3.017 2.062 3.325 0.085 12 0 "[ . 1 . ]" 1
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