Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426039 | 2h1z RC | 7117 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2h1z
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 649
_Distance_constraint_stats_list.Viol_count 1490
_Distance_constraint_stats_list.Viol_total 1365.414
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0367
_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 CYS 0.026 0.007 10 0 "[ . 1 . 2 .]"
1 4 VAL 3.673 0.111 13 0 "[ . 1 . 2 .]"
1 5 PRO 5.836 0.158 19 0 "[ . 1 . 2 .]"
1 6 VAL 3.424 0.093 9 0 "[ . 1 . 2 .]"
1 7 ASP 11.007 0.144 14 0 "[ . 1 . 2 .]"
1 8 GLN 9.449 0.158 19 0 "[ . 1 . 2 .]"
1 9 PRO 4.344 0.143 24 0 "[ . 1 . 2 .]"
1 10 CYS 8.988 0.143 24 0 "[ . 1 . 2 .]"
1 11 SER 3.113 0.094 3 0 "[ . 1 . 2 .]"
1 12 LEU 0.184 0.033 13 0 "[ . 1 . 2 .]"
1 13 ASN 1.444 0.052 5 0 "[ . 1 . 2 .]"
1 14 THR 2.024 0.079 23 0 "[ . 1 . 2 .]"
1 15 GLN 2.265 0.072 3 0 "[ . 1 . 2 .]"
1 16 PRO 0.576 0.028 8 0 "[ . 1 . 2 .]"
1 17 CYS 1.673 0.045 24 0 "[ . 1 . 2 .]"
1 18 CYS 7.664 0.111 13 0 "[ . 1 . 2 .]"
1 19 ASP 1.191 0.047 24 0 "[ . 1 . 2 .]"
1 20 ASP 1.120 0.081 1 0 "[ . 1 . 2 .]"
1 21 ALA 1.339 0.037 4 0 "[ . 1 . 2 .]"
1 22 THR 0.858 0.036 5 0 "[ . 1 . 2 .]"
1 23 CYS 0.235 0.013 22 0 "[ . 1 . 2 .]"
1 24 THR 1.451 0.055 17 0 "[ . 1 . 2 .]"
1 25 GLN 3.378 0.084 17 0 "[ . 1 . 2 .]"
1 26 GLU 4.246 0.084 17 0 "[ . 1 . 2 .]"
1 27 ARG 1.499 0.068 16 0 "[ . 1 . 2 .]"
1 28 ASN 1.334 0.060 6 0 "[ . 1 . 2 .]"
1 29 GLU 0.642 0.059 21 0 "[ . 1 . 2 .]"
1 30 ASN 0.086 0.019 23 0 "[ . 1 . 2 .]"
1 31 GLY 0.769 0.060 6 0 "[ . 1 . 2 .]"
1 32 HIS 0.721 0.027 3 0 "[ . 1 . 2 .]"
1 33 THR 0.049 0.012 15 0 "[ . 1 . 2 .]"
1 34 VAL 2.460 0.064 12 0 "[ . 1 . 2 .]"
1 35 TYR 1.681 0.064 12 0 "[ . 1 . 2 .]"
1 36 TYR 0.944 0.030 24 0 "[ . 1 . 2 .]"
1 37 CYS 4.990 0.121 18 0 "[ . 1 . 2 .]"
1 38 ARG 2.914 0.051 25 0 "[ . 1 . 2 .]"
1 39 ALA 2.038 0.051 25 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 3 CYS CB 1 18 CYS SG 3.050 3.000 3.100 3.040 3.038 3.042 . 0 0 "[ . 1 . 2 .]" 1
2 1 3 CYS H 1 4 VAL H 3.110 . 4.420 4.382 4.379 4.390 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 CYS H 1 4 VAL HA 3.340 . 4.880 4.756 4.743 4.771 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 CYS H 1 4 VAL MG2 3.995 . 6.190 5.015 4.938 5.074 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 CYS HA 1 4 VAL H 2.130 . 2.460 2.445 2.422 2.453 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 CYS HA 1 15 GLN HB2 3.215 . 4.630 2.939 2.717 3.169 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 CYS HA 1 15 GLN QB 2.855 . 3.910 2.603 2.497 2.699 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 CYS HA 1 15 GLN HB3 3.215 . 4.630 2.924 2.775 3.099 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 CYS HA 1 15 GLN QG 3.750 . 5.700 4.199 4.038 4.564 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 CYS HA 1 16 PRO QD 3.190 . 4.580 3.745 3.636 3.782 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 CYS HA 1 16 PRO HG2 3.555 . 5.310 3.822 3.678 3.874 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 CYS HA 1 16 PRO HG3 3.650 . 5.500 5.464 5.332 5.507 0.007 10 0 "[ . 1 . 2 .]" 1
13 1 3 CYS QB 1 4 VAL H 2.620 . 3.440 2.308 2.296 2.356 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 CYS QB 1 4 VAL MG2 4.340 . 6.880 4.136 4.094 4.186 . 0 0 "[ . 1 . 2 .]" 1
15 1 3 CYS QB 1 15 GLN QB 4.510 . 7.220 3.938 3.834 4.062 . 0 0 "[ . 1 . 2 .]" 1
16 1 3 CYS QB 1 16 PRO QD 4.340 . 6.880 4.181 4.108 4.250 . 0 0 "[ . 1 . 2 .]" 1
17 1 3 CYS QB 1 16 PRO HG3 4.090 . 6.380 4.802 4.714 4.843 . 0 0 "[ . 1 . 2 .]" 1
18 1 3 CYS QB 1 18 CYS H 3.255 . 4.710 3.565 3.534 3.605 . 0 0 "[ . 1 . 2 .]" 1
19 1 3 CYS QB 1 18 CYS HA 2.865 . 3.930 2.848 2.758 2.887 . 0 0 "[ . 1 . 2 .]" 1
20 1 3 CYS QB 1 19 ASP H 4.090 . 6.380 4.923 4.820 4.965 . 0 0 "[ . 1 . 2 .]" 1
21 1 3 CYS SG 1 18 CYS CB 3.050 3.000 3.100 3.043 3.041 3.046 . 0 0 "[ . 1 . 2 .]" 1
22 1 3 CYS SG 1 18 CYS SG 2.050 . 2.100 2.031 2.030 2.031 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 VAL H 1 4 VAL HB 2.210 . 2.620 2.450 2.442 2.461 . 0 0 "[ . 1 . 2 .]" 1
24 1 4 VAL H 1 4 VAL MG1 3.115 . 4.330 3.760 3.758 3.762 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 VAL H 1 4 VAL MG2 2.515 . 3.330 2.342 2.270 2.443 . 0 0 "[ . 1 . 2 .]" 1
26 1 4 VAL H 1 15 GLN HB2 3.325 . 4.850 4.081 3.825 4.249 . 0 0 "[ . 1 . 2 .]" 1
27 1 4 VAL H 1 15 GLN QB 3.095 . 4.390 3.829 3.675 3.912 . 0 0 "[ . 1 . 2 .]" 1
28 1 4 VAL H 1 15 GLN HB3 3.325 . 4.850 4.661 4.494 4.788 . 0 0 "[ . 1 . 2 .]" 1
29 1 4 VAL H 1 16 PRO QD 4.090 . 6.380 4.982 4.862 5.048 . 0 0 "[ . 1 . 2 .]" 1
30 1 4 VAL H 1 16 PRO O 1.900 . 2.100 1.753 1.737 1.772 . 0 0 "[ . 1 . 2 .]" 1
31 1 4 VAL H 1 18 CYS H 3.000 . 4.200 3.783 3.736 3.845 . 0 0 "[ . 1 . 2 .]" 1
32 1 4 VAL H 1 18 CYS HA 3.575 . 5.350 4.735 4.698 4.764 . 0 0 "[ . 1 . 2 .]" 1
33 1 4 VAL HA 1 4 VAL MG1 2.645 . 3.490 2.368 2.359 2.375 . 0 0 "[ . 1 . 2 .]" 1
34 1 4 VAL HA 1 4 VAL MG2 2.615 . 3.430 2.358 2.261 2.420 . 0 0 "[ . 1 . 2 .]" 1
35 1 4 VAL HA 1 5 PRO QD 2.530 . 3.260 1.894 1.888 1.899 . 0 0 "[ . 1 . 2 .]" 1
36 1 4 VAL HA 1 5 PRO HG2 3.370 . 4.940 4.497 4.492 4.502 . 0 0 "[ . 1 . 2 .]" 1
37 1 4 VAL HA 1 5 PRO HG3 3.370 . 4.940 4.077 4.068 4.086 . 0 0 "[ . 1 . 2 .]" 1
38 1 4 VAL HA 1 17 CYS HA 3.215 . 4.630 4.137 4.109 4.170 . 0 0 "[ . 1 . 2 .]" 1
39 1 4 VAL HB 1 10 CYS HB3 3.155 . 4.510 3.135 3.044 3.191 . 0 0 "[ . 1 . 2 .]" 1
40 1 4 VAL HB 1 17 CYS H 3.495 . 5.190 4.346 4.315 4.374 . 0 0 "[ . 1 . 2 .]" 1
41 1 4 VAL HB 1 17 CYS HA 2.100 . 2.400 1.990 1.971 2.002 . 0 0 "[ . 1 . 2 .]" 1
42 1 4 VAL HB 1 17 CYS HB3 3.555 . 5.310 3.613 3.575 3.675 . 0 0 "[ . 1 . 2 .]" 1
43 1 4 VAL HB 1 18 CYS H 2.830 . 3.860 3.889 3.886 3.898 0.038 24 0 "[ . 1 . 2 .]" 1
44 1 4 VAL MG1 1 5 PRO HD2 2.815 . 3.830 2.164 2.145 2.192 . 0 0 "[ . 1 . 2 .]" 1
45 1 4 VAL MG1 1 5 PRO QD 2.665 . 3.530 2.113 2.097 2.137 . 0 0 "[ . 1 . 2 .]" 1
46 1 4 VAL MG1 1 5 PRO HD3 2.815 . 3.830 2.955 2.947 2.963 . 0 0 "[ . 1 . 2 .]" 1
47 1 4 VAL MG1 1 8 GLN H 3.405 . 5.010 3.726 3.691 3.753 . 0 0 "[ . 1 . 2 .]" 1
48 1 4 VAL MG1 1 8 GLN HA 3.930 . 6.060 4.740 4.696 4.787 . 0 0 "[ . 1 . 2 .]" 1
49 1 4 VAL MG1 1 8 GLN QB 3.055 . 4.310 2.563 2.523 2.629 . 0 0 "[ . 1 . 2 .]" 1
50 1 4 VAL MG1 1 8 GLN QG 3.800 . 5.800 3.846 3.806 3.942 . 0 0 "[ . 1 . 2 .]" 1
51 1 4 VAL MG1 1 10 CYS H 3.700 . 5.600 4.024 3.959 4.064 . 0 0 "[ . 1 . 2 .]" 1
52 1 4 VAL MG1 1 10 CYS HA 3.015 . 4.230 2.711 2.642 2.804 . 0 0 "[ . 1 . 2 .]" 1
53 1 4 VAL MG1 1 10 CYS HB2 3.140 . 4.480 3.410 3.388 3.426 . 0 0 "[ . 1 . 2 .]" 1
54 1 4 VAL MG1 1 10 CYS HB3 2.615 . 3.430 1.967 1.958 1.974 . 0 0 "[ . 1 . 2 .]" 1
55 1 4 VAL MG1 1 17 CYS HA 3.095 . 4.390 3.530 3.509 3.543 . 0 0 "[ . 1 . 2 .]" 1
56 1 4 VAL MG1 1 18 CYS H 3.620 . 5.440 4.315 4.303 4.329 . 0 0 "[ . 1 . 2 .]" 1
57 1 4 VAL MG1 1 37 CYS H 3.900 . 6.000 3.999 3.971 4.028 . 0 0 "[ . 1 . 2 .]" 1
58 1 4 VAL MG1 1 37 CYS HB2 3.110 . 4.420 2.778 2.768 2.795 . 0 0 "[ . 1 . 2 .]" 1
59 1 4 VAL MG1 1 37 CYS HB3 3.205 . 4.610 3.616 3.610 3.624 . 0 0 "[ . 1 . 2 .]" 1
60 1 4 VAL MG2 1 5 PRO HD2 3.420 . 5.040 4.042 4.017 4.070 . 0 0 "[ . 1 . 2 .]" 1
61 1 4 VAL MG2 1 5 PRO QD 3.265 . 4.730 3.499 3.473 3.529 . 0 0 "[ . 1 . 2 .]" 1
62 1 4 VAL MG2 1 5 PRO HD3 3.420 . 5.040 3.833 3.784 3.886 . 0 0 "[ . 1 . 2 .]" 1
63 1 4 VAL MG2 1 10 CYS HA 2.845 . 3.890 2.920 2.691 3.088 . 0 0 "[ . 1 . 2 .]" 1
64 1 4 VAL MG2 1 10 CYS HB2 3.015 . 4.230 2.956 2.881 3.047 . 0 0 "[ . 1 . 2 .]" 1
65 1 4 VAL MG2 1 10 CYS HB3 2.770 . 3.740 2.596 2.456 2.730 . 0 0 "[ . 1 . 2 .]" 1
66 1 4 VAL MG2 1 11 SER H 3.375 . 4.950 3.503 3.384 3.651 . 0 0 "[ . 1 . 2 .]" 1
67 1 4 VAL MG2 1 14 THR HB 3.870 . 5.940 3.711 3.555 3.829 . 0 0 "[ . 1 . 2 .]" 1
68 1 4 VAL MG2 1 15 GLN H 3.620 . 5.440 3.844 3.693 3.946 . 0 0 "[ . 1 . 2 .]" 1
69 1 4 VAL MG2 1 15 GLN HA 3.840 . 5.880 4.747 4.623 4.836 . 0 0 "[ . 1 . 2 .]" 1
70 1 4 VAL MG2 1 15 GLN QB 3.240 . 4.680 2.964 2.728 3.138 . 0 0 "[ . 1 . 2 .]" 1
71 1 4 VAL MG2 1 15 GLN QG 3.905 . 6.010 4.399 4.288 4.474 . 0 0 "[ . 1 . 2 .]" 1
72 1 4 VAL MG2 1 16 PRO HA 4.115 . 6.430 4.160 4.077 4.226 . 0 0 "[ . 1 . 2 .]" 1
73 1 4 VAL MG2 1 16 PRO QD 4.605 . 7.410 4.707 4.559 4.804 . 0 0 "[ . 1 . 2 .]" 1
74 1 4 VAL MG2 1 17 CYS H 3.930 . 6.060 4.644 4.584 4.693 . 0 0 "[ . 1 . 2 .]" 1
75 1 4 VAL MG2 1 17 CYS HA 2.895 . 3.990 3.277 3.228 3.319 . 0 0 "[ . 1 . 2 .]" 1
76 1 4 VAL MG2 1 18 CYS H 4.135 . 6.470 5.070 5.060 5.084 . 0 0 "[ . 1 . 2 .]" 1
77 1 4 VAL N 1 16 PRO O 2.900 2.700 3.100 2.687 2.672 2.700 0.028 8 0 "[ . 1 . 2 .]" 1
78 1 4 VAL O 1 18 CYS H 1.900 . 2.100 1.902 1.880 1.943 . 0 0 "[ . 1 . 2 .]" 1
79 1 4 VAL O 1 18 CYS N 2.900 2.700 3.100 2.595 2.589 2.611 0.111 13 0 "[ . 1 . 2 .]" 1
80 1 5 PRO HA 1 6 VAL H 2.145 . 2.490 2.187 2.182 2.193 . 0 0 "[ . 1 . 2 .]" 1
81 1 5 PRO HA 1 18 CYS H 3.075 . 4.350 3.675 3.650 3.718 . 0 0 "[ . 1 . 2 .]" 1
82 1 5 PRO HA 1 18 CYS HB2 2.970 . 4.140 2.523 2.512 2.544 . 0 0 "[ . 1 . 2 .]" 1
83 1 5 PRO HA 1 18 CYS HB3 2.845 . 3.890 3.946 3.939 3.951 0.061 2 0 "[ . 1 . 2 .]" 1
84 1 5 PRO HB2 1 6 VAL H 2.735 . 3.670 3.694 3.683 3.705 0.035 2 0 "[ . 1 . 2 .]" 1
85 1 5 PRO HB2 1 8 GLN H 3.575 . 5.350 4.224 4.198 4.240 . 0 0 "[ . 1 . 2 .]" 1
86 1 5 PRO HB2 1 8 GLN QB 3.395 . 4.990 3.036 2.962 3.093 . 0 0 "[ . 1 . 2 .]" 1
87 1 5 PRO HB2 1 8 GLN QE 3.775 . 5.750 3.789 3.311 4.429 . 0 0 "[ . 1 . 2 .]" 1
88 1 5 PRO HB2 1 8 GLN QG 3.085 . 4.370 1.852 1.841 1.900 . 0 0 "[ . 1 . 2 .]" 1
89 1 5 PRO HB3 1 6 VAL H 2.750 . 3.700 3.505 3.496 3.516 . 0 0 "[ . 1 . 2 .]" 1
90 1 5 PRO QD 1 8 GLN QB 3.195 . 4.590 2.526 2.496 2.557 . 0 0 "[ . 1 . 2 .]" 1
91 1 5 PRO QD 1 8 GLN QG 3.480 . 5.160 2.999 2.933 3.081 . 0 0 "[ . 1 . 2 .]" 1
92 1 5 PRO HD2 1 8 GLN HB2 3.720 . 5.640 2.615 2.585 2.646 . 0 0 "[ . 1 . 2 .]" 1
93 1 5 PRO HD2 1 8 GLN HB3 3.720 . 5.640 3.514 3.461 3.570 . 0 0 "[ . 1 . 2 .]" 1
94 1 5 PRO HD2 1 8 GLN HG2 4.295 . 6.790 4.018 3.905 4.223 . 0 0 "[ . 1 . 2 .]" 1
95 1 5 PRO HD2 1 8 GLN HG3 4.295 . 6.790 3.168 3.099 3.241 . 0 0 "[ . 1 . 2 .]" 1
96 1 5 PRO HD3 1 8 GLN HB2 3.720 . 5.640 4.361 4.329 4.393 . 0 0 "[ . 1 . 2 .]" 1
97 1 5 PRO HD3 1 8 GLN HB3 3.720 . 5.640 5.244 5.191 5.301 . 0 0 "[ . 1 . 2 .]" 1
98 1 5 PRO HD3 1 8 GLN HG2 4.295 . 6.790 5.487 5.379 5.694 . 0 0 "[ . 1 . 2 .]" 1
99 1 5 PRO HD3 1 8 GLN HG3 4.295 . 6.790 4.582 4.523 4.650 . 0 0 "[ . 1 . 2 .]" 1
100 1 5 PRO QG 1 8 GLN QB 4.370 . 6.940 3.475 3.441 3.498 . 0 0 "[ . 1 . 2 .]" 1
101 1 5 PRO QG 1 8 GLN QG 3.325 . 4.850 2.544 2.511 2.588 . 0 0 "[ . 1 . 2 .]" 1
102 1 5 PRO HG2 1 8 GLN HG2 3.905 . 6.010 3.942 3.873 4.071 . 0 0 "[ . 1 . 2 .]" 1
103 1 5 PRO HG2 1 8 GLN HG3 3.905 . 6.010 2.611 2.576 2.662 . 0 0 "[ . 1 . 2 .]" 1
104 1 5 PRO HG3 1 8 GLN HG2 3.905 . 6.010 5.064 4.988 5.251 . 0 0 "[ . 1 . 2 .]" 1
105 1 5 PRO HG3 1 8 GLN HG3 3.905 . 6.010 4.135 4.103 4.182 . 0 0 "[ . 1 . 2 .]" 1
106 1 5 PRO O 1 8 GLN H 1.900 . 2.100 2.253 2.248 2.258 0.158 19 0 "[ . 1 . 2 .]" 1
107 1 5 PRO O 1 8 GLN N 2.900 2.700 3.100 2.999 2.991 3.009 . 0 0 "[ . 1 . 2 .]" 1
108 1 6 VAL H 1 6 VAL MG1 3.050 . 4.300 3.754 3.753 3.755 . 0 0 "[ . 1 . 2 .]" 1
109 1 6 VAL H 1 6 VAL MG2 3.000 . 4.200 2.226 2.155 2.293 . 0 0 "[ . 1 . 2 .]" 1
110 1 6 VAL H 1 7 ASP H 3.295 . 4.790 4.597 4.594 4.599 . 0 0 "[ . 1 . 2 .]" 1
111 1 6 VAL H 1 7 ASP HB2 3.575 . 5.350 5.438 5.434 5.443 0.093 9 0 "[ . 1 . 2 .]" 1
112 1 6 VAL H 1 18 CYS HB2 3.110 . 4.420 2.895 2.867 2.933 . 0 0 "[ . 1 . 2 .]" 1
113 1 6 VAL H 1 21 ALA MB 3.855 . 5.910 4.111 4.077 4.194 . 0 0 "[ . 1 . 2 .]" 1
114 1 6 VAL HA 1 6 VAL MG2 2.660 . 3.520 2.242 2.236 2.260 . 0 0 "[ . 1 . 2 .]" 1
115 1 6 VAL HA 1 7 ASP HA 3.295 . 4.790 4.423 4.420 4.427 . 0 0 "[ . 1 . 2 .]" 1
116 1 6 VAL HA 1 8 GLN H 2.660 . 3.520 3.061 3.055 3.066 . 0 0 "[ . 1 . 2 .]" 1
117 1 6 VAL HA 1 21 ALA MB 3.015 . 4.230 3.145 3.110 3.242 . 0 0 "[ . 1 . 2 .]" 1
118 1 6 VAL HA 1 37 CYS H 3.480 . 5.160 4.406 4.388 4.419 . 0 0 "[ . 1 . 2 .]" 1
119 1 6 VAL HA 1 37 CYS HA 3.650 . 5.500 4.459 4.441 4.478 . 0 0 "[ . 1 . 2 .]" 1
120 1 6 VAL HA 1 37 CYS HB2 2.565 . 3.330 2.524 2.516 2.535 . 0 0 "[ . 1 . 2 .]" 1
121 1 6 VAL HA 1 37 CYS HB3 2.270 . 2.740 2.181 2.153 2.210 . 0 0 "[ . 1 . 2 .]" 1
122 1 6 VAL HB 1 7 ASP H 2.815 . 3.830 3.855 3.847 3.863 0.033 14 0 "[ . 1 . 2 .]" 1
123 1 6 VAL HB 1 21 ALA MB 3.930 . 6.060 4.087 4.035 4.203 . 0 0 "[ . 1 . 2 .]" 1
124 1 6 VAL HB 1 39 ALA MB 3.480 . 5.160 3.490 3.349 3.646 . 0 0 "[ . 1 . 2 .]" 1
125 1 6 VAL MG1 1 7 ASP H 3.170 . 4.540 2.129 2.045 2.153 . 0 0 "[ . 1 . 2 .]" 1
126 1 6 VAL MG1 1 7 ASP HA 3.670 . 5.540 3.360 3.309 3.427 . 0 0 "[ . 1 . 2 .]" 1
127 1 6 VAL MG1 1 8 GLN H 4.165 . 6.530 4.098 4.088 4.107 . 0 0 "[ . 1 . 2 .]" 1
128 1 6 VAL MG1 1 21 ALA MB 3.655 . 5.510 2.726 2.622 2.852 . 0 0 "[ . 1 . 2 .]" 1
129 1 6 VAL MG1 1 37 CYS HB2 3.855 . 5.910 4.079 4.035 4.120 . 0 0 "[ . 1 . 2 .]" 1
130 1 6 VAL MG1 1 38 ARG HA 3.375 . 4.950 2.174 2.142 2.216 . 0 0 "[ . 1 . 2 .]" 1
131 1 6 VAL MG1 1 39 ALA H 2.955 . 4.110 1.864 1.839 1.953 . 0 0 "[ . 1 . 2 .]" 1
132 1 6 VAL MG1 1 39 ALA MB 4.680 . 7.560 1.963 1.899 2.085 . 0 0 "[ . 1 . 2 .]" 1
133 1 6 VAL MG2 1 7 ASP H 3.170 . 4.540 3.807 3.793 3.820 . 0 0 "[ . 1 . 2 .]" 1
134 1 6 VAL MG2 1 19 ASP HB2 3.450 . 5.100 2.165 2.071 2.289 . 0 0 "[ . 1 . 2 .]" 1
135 1 6 VAL MG2 1 19 ASP HB3 3.515 . 5.230 3.442 3.293 3.641 . 0 0 "[ . 1 . 2 .]" 1
136 1 6 VAL MG2 1 21 ALA H 4.165 . 6.530 3.518 3.463 3.630 . 0 0 "[ . 1 . 2 .]" 1
137 1 6 VAL MG2 1 21 ALA HA 3.375 . 4.950 3.599 3.548 3.688 . 0 0 "[ . 1 . 2 .]" 1
138 1 6 VAL MG2 1 37 CYS HB2 3.465 . 5.130 4.105 4.095 4.124 . 0 0 "[ . 1 . 2 .]" 1
139 1 6 VAL MG2 1 37 CYS HB3 3.390 . 4.980 2.989 2.966 3.043 . 0 0 "[ . 1 . 2 .]" 1
140 1 6 VAL MG2 1 38 ARG HA 3.390 . 4.980 4.053 4.011 4.062 . 0 0 "[ . 1 . 2 .]" 1
141 1 6 VAL MG2 1 39 ALA H 3.095 . 4.390 3.180 2.995 3.271 . 0 0 "[ . 1 . 2 .]" 1
142 1 6 VAL MG2 1 39 ALA HA 3.515 . 5.230 2.688 2.596 2.895 . 0 0 "[ . 1 . 2 .]" 1
143 1 6 VAL MG2 1 39 ALA MB 3.300 . 4.800 1.960 1.921 2.165 . 0 0 "[ . 1 . 2 .]" 1
144 1 7 ASP H 1 7 ASP HA 2.115 . 2.430 2.254 2.252 2.255 . 0 0 "[ . 1 . 2 .]" 1
145 1 7 ASP H 1 7 ASP HB2 2.735 . 3.670 3.703 3.696 3.709 0.039 8 0 "[ . 1 . 2 .]" 1
146 1 7 ASP H 1 7 ASP HB3 2.860 . 3.920 4.060 4.056 4.063 0.143 23 0 "[ . 1 . 2 .]" 1
147 1 7 ASP H 1 8 GLN H 2.365 . 2.930 2.594 2.589 2.599 . 0 0 "[ . 1 . 2 .]" 1
148 1 7 ASP H 1 8 GLN HA 3.400 . 5.000 5.137 5.133 5.144 0.144 14 0 "[ . 1 . 2 .]" 1
149 1 7 ASP H 1 21 ALA MB 3.700 . 5.600 4.284 4.244 4.390 . 0 0 "[ . 1 . 2 .]" 1
150 1 7 ASP H 1 37 CYS H 3.200 . 4.600 3.684 3.666 3.709 . 0 0 "[ . 1 . 2 .]" 1
151 1 7 ASP H 1 37 CYS O 1.900 . 2.100 1.776 1.758 1.787 . 0 0 "[ . 1 . 2 .]" 1
152 1 7 ASP H 1 38 ARG HA 2.970 . 4.140 3.198 3.160 3.261 . 0 0 "[ . 1 . 2 .]" 1
153 1 7 ASP H 1 38 ARG HD3 3.370 . 4.940 3.723 3.503 3.920 . 0 0 "[ . 1 . 2 .]" 1
154 1 7 ASP HA 1 8 GLN H 2.520 . 3.240 3.248 3.242 3.255 0.015 21 0 "[ . 1 . 2 .]" 1
155 1 7 ASP HA 1 38 ARG HA 3.110 . 4.420 4.304 4.259 4.392 . 0 0 "[ . 1 . 2 .]" 1
156 1 7 ASP HA 1 38 ARG HD2 3.420 . 5.040 4.731 4.473 4.948 . 0 0 "[ . 1 . 2 .]" 1
157 1 7 ASP HB3 1 8 GLN H 3.650 . 5.500 4.470 4.467 4.476 . 0 0 "[ . 1 . 2 .]" 1
158 1 7 ASP N 1 37 CYS O 2.900 2.700 3.100 2.690 2.678 2.701 0.022 23 0 "[ . 1 . 2 .]" 1
159 1 8 GLN H 1 8 GLN QB 2.750 . 3.700 2.637 2.615 2.655 . 0 0 "[ . 1 . 2 .]" 1
160 1 8 GLN H 1 8 GLN QG 3.330 . 4.860 2.626 2.602 2.681 . 0 0 "[ . 1 . 2 .]" 1
161 1 8 GLN H 1 9 PRO HD2 3.540 . 5.280 4.847 4.832 4.859 . 0 0 "[ . 1 . 2 .]" 1
162 1 8 GLN H 1 36 TYR QD 4.580 . 7.360 3.896 3.571 4.225 . 0 0 "[ . 1 . 2 .]" 1
163 1 8 GLN H 1 37 CYS H 2.645 . 3.490 3.165 3.140 3.194 . 0 0 "[ . 1 . 2 .]" 1
164 1 8 GLN H 1 37 CYS HB2 2.130 . 2.460 2.503 2.497 2.509 0.049 21 0 "[ . 1 . 2 .]" 1
165 1 8 GLN H 1 37 CYS HB3 2.845 . 3.890 3.907 3.899 3.912 0.022 14 0 "[ . 1 . 2 .]" 1
166 1 8 GLN HA 1 8 GLN QG 2.680 . 3.560 3.072 2.987 3.104 . 0 0 "[ . 1 . 2 .]" 1
167 1 8 GLN HA 1 9 PRO HD2 2.225 . 2.650 2.485 2.442 2.510 . 0 0 "[ . 1 . 2 .]" 1
168 1 8 GLN HA 1 9 PRO HD3 2.100 . 2.400 2.420 2.408 2.434 0.034 5 0 "[ . 1 . 2 .]" 1
169 1 8 GLN HA 1 9 PRO HG2 3.465 . 5.130 4.593 4.561 4.612 . 0 0 "[ . 1 . 2 .]" 1
170 1 8 GLN HA 1 9 PRO HG3 3.575 . 5.350 4.581 4.576 4.585 . 0 0 "[ . 1 . 2 .]" 1
171 1 8 GLN HA 1 36 TYR QE 4.005 . 6.210 3.029 2.587 3.379 . 0 0 "[ . 1 . 2 .]" 1
172 1 8 GLN QB 1 9 PRO HD2 3.065 . 4.330 1.966 1.963 1.975 . 0 0 "[ . 1 . 2 .]" 1
173 1 8 GLN QB 1 9 PRO HD3 3.065 . 4.330 3.325 3.302 3.367 . 0 0 "[ . 1 . 2 .]" 1
174 1 8 GLN QB 1 9 PRO HG3 3.515 . 5.230 4.504 4.493 4.512 . 0 0 "[ . 1 . 2 .]" 1
175 1 8 GLN QB 1 36 TYR QD 5.160 . 8.520 4.829 4.467 5.200 . 0 0 "[ . 1 . 2 .]" 1
176 1 8 GLN QG 1 9 PRO HD2 3.655 . 5.510 3.958 3.939 3.974 . 0 0 "[ . 1 . 2 .]" 1
177 1 8 GLN QG 1 9 PRO HD3 3.610 . 5.420 4.903 4.886 4.909 . 0 0 "[ . 1 . 2 .]" 1
178 1 8 GLN O 1 37 CYS H 1.900 . 2.100 1.965 1.939 1.992 . 0 0 "[ . 1 . 2 .]" 1
179 1 8 GLN O 1 37 CYS N 2.900 2.700 3.100 2.812 2.790 2.836 . 0 0 "[ . 1 . 2 .]" 1
180 1 9 PRO HA 1 10 CYS H 2.100 . 2.400 2.138 2.132 2.144 . 0 0 "[ . 1 . 2 .]" 1
181 1 9 PRO HA 1 36 TYR HA 2.350 . 2.900 1.969 1.950 1.980 . 0 0 "[ . 1 . 2 .]" 1
182 1 9 PRO HA 1 36 TYR QB 3.705 . 5.610 3.744 3.710 3.806 . 0 0 "[ . 1 . 2 .]" 1
183 1 9 PRO HA 1 36 TYR QE 4.095 . 6.390 3.767 3.588 3.917 . 0 0 "[ . 1 . 2 .]" 1
184 1 9 PRO HA 1 37 CYS H 2.705 . 3.610 3.625 3.612 3.640 0.030 19 0 "[ . 1 . 2 .]" 1
185 1 9 PRO HB2 1 10 CYS H 2.845 . 3.890 3.251 3.244 3.263 . 0 0 "[ . 1 . 2 .]" 1
186 1 9 PRO HB2 1 35 TYR H 3.650 . 5.500 4.988 4.876 5.064 . 0 0 "[ . 1 . 2 .]" 1
187 1 9 PRO HB2 1 36 TYR HA 3.295 . 4.790 4.586 4.574 4.597 . 0 0 "[ . 1 . 2 .]" 1
188 1 9 PRO HB2 1 36 TYR QE 4.715 . 7.630 4.398 4.075 4.760 . 0 0 "[ . 1 . 2 .]" 1
189 1 9 PRO HB3 1 10 CYS H 2.675 . 3.550 3.689 3.684 3.693 0.143 24 0 "[ . 1 . 2 .]" 1
190 1 9 PRO HB3 1 36 TYR HA 3.525 . 5.250 4.046 4.037 4.059 . 0 0 "[ . 1 . 2 .]" 1
191 1 9 PRO HB3 1 36 TYR QE 4.715 . 7.630 2.871 2.425 3.354 . 0 0 "[ . 1 . 2 .]" 1
192 1 9 PRO HD2 1 36 TYR QE 4.715 . 7.630 4.093 3.635 4.522 . 0 0 "[ . 1 . 2 .]" 1
193 1 9 PRO HD3 1 36 TYR QE 4.500 . 7.200 2.583 2.012 3.137 . 0 0 "[ . 1 . 2 .]" 1
194 1 9 PRO HG2 1 36 TYR QE 4.715 . 7.630 4.968 4.758 5.128 . 0 0 "[ . 1 . 2 .]" 1
195 1 9 PRO HG3 1 36 TYR QE 4.715 . 7.630 3.949 3.788 4.074 . 0 0 "[ . 1 . 2 .]" 1
196 1 10 CYS CB 1 23 CYS SG 3.050 3.000 3.100 3.046 3.041 3.050 . 0 0 "[ . 1 . 2 .]" 1
197 1 10 CYS H 1 10 CYS HB2 2.830 . 3.860 3.752 3.731 3.778 . 0 0 "[ . 1 . 2 .]" 1
198 1 10 CYS H 1 10 CYS HB3 2.875 . 3.950 3.359 3.342 3.378 . 0 0 "[ . 1 . 2 .]" 1
199 1 10 CYS H 1 11 SER H 3.045 . 4.290 4.379 4.371 4.384 0.094 3 0 "[ . 1 . 2 .]" 1
200 1 10 CYS H 1 11 SER HA 3.295 . 4.790 4.789 4.749 4.805 0.015 8 0 "[ . 1 . 2 .]" 1
201 1 10 CYS H 1 35 TYR HB2 2.660 . 3.520 3.279 3.187 3.524 0.004 18 0 "[ . 1 . 2 .]" 1
202 1 10 CYS H 1 35 TYR HB3 3.015 . 4.230 4.054 3.270 4.233 0.003 8 0 "[ . 1 . 2 .]" 1
203 1 10 CYS H 1 35 TYR O 1.900 . 2.100 1.736 1.712 1.792 . 0 0 "[ . 1 . 2 .]" 1
204 1 10 CYS H 1 36 TYR H 3.170 . 4.540 4.228 4.119 4.274 . 0 0 "[ . 1 . 2 .]" 1
205 1 10 CYS H 1 36 TYR HA 2.410 . 3.020 2.448 2.416 2.487 . 0 0 "[ . 1 . 2 .]" 1
206 1 10 CYS H 1 37 CYS H 2.970 . 4.140 4.254 4.245 4.261 0.121 18 0 "[ . 1 . 2 .]" 1
207 1 10 CYS HA 1 10 CYS HB2 2.395 . 2.990 2.559 2.543 2.575 . 0 0 "[ . 1 . 2 .]" 1
208 1 10 CYS HA 1 10 CYS HB3 2.395 . 2.990 2.358 2.344 2.372 . 0 0 "[ . 1 . 2 .]" 1
209 1 10 CYS HA 1 11 SER H 2.210 . 2.620 2.607 2.597 2.616 . 0 0 "[ . 1 . 2 .]" 1
210 1 10 CYS HB2 1 23 CYS QB 3.595 . 5.390 3.335 3.305 3.384 . 0 0 "[ . 1 . 2 .]" 1
211 1 10 CYS HB3 1 11 SER H 2.610 . 3.420 3.396 3.369 3.424 0.004 22 0 "[ . 1 . 2 .]" 1
212 1 10 CYS HB3 1 23 CYS QB 4.090 . 6.380 4.124 4.070 4.190 . 0 0 "[ . 1 . 2 .]" 1
213 1 10 CYS N 1 35 TYR O 2.900 2.700 3.100 2.689 2.671 2.732 0.029 24 0 "[ . 1 . 2 .]" 1
214 1 10 CYS SG 1 23 CYS CB 3.050 3.000 3.100 3.035 3.031 3.041 . 0 0 "[ . 1 . 2 .]" 1
215 1 10 CYS SG 1 23 CYS SG 2.050 . 2.100 2.031 2.029 2.032 . 0 0 "[ . 1 . 2 .]" 1
216 1 11 SER H 1 11 SER HB2 2.845 . 3.890 2.882 2.635 3.172 . 0 0 "[ . 1 . 2 .]" 1
217 1 11 SER H 1 11 SER QB 2.680 . 3.560 2.730 2.578 3.042 . 0 0 "[ . 1 . 2 .]" 1
218 1 11 SER H 1 11 SER HB3 2.845 . 3.890 3.472 3.051 3.914 0.024 5 0 "[ . 1 . 2 .]" 1
219 1 11 SER H 1 14 THR H 2.985 . 4.170 3.931 3.731 4.015 . 0 0 "[ . 1 . 2 .]" 1
220 1 11 SER H 1 14 THR MG 3.155 . 4.510 3.486 3.325 3.658 . 0 0 "[ . 1 . 2 .]" 1
221 1 11 SER HA 1 12 LEU H 2.160 . 2.520 2.320 2.183 2.393 . 0 0 "[ . 1 . 2 .]" 1
222 1 11 SER HA 1 12 LEU MD1 3.840 . 5.880 4.345 4.042 4.807 . 0 0 "[ . 1 . 2 .]" 1
223 1 11 SER HA 1 13 ASN H 3.110 . 4.420 3.994 3.809 4.101 . 0 0 "[ . 1 . 2 .]" 1
224 1 11 SER HA 1 35 TYR HB2 2.875 . 3.950 3.065 2.926 3.170 . 0 0 "[ . 1 . 2 .]" 1
225 1 11 SER HA 1 35 TYR HB3 3.325 . 4.850 4.001 3.401 4.263 . 0 0 "[ . 1 . 2 .]" 1
226 1 11 SER HA 1 35 TYR QD 4.690 . 7.580 3.102 2.128 4.053 . 0 0 "[ . 1 . 2 .]" 1
227 1 11 SER QB 1 12 LEU H 2.720 . 3.640 2.940 2.581 3.221 . 0 0 "[ . 1 . 2 .]" 1
228 1 11 SER QB 1 13 ASN H 3.330 . 4.860 2.421 2.183 2.625 . 0 0 "[ . 1 . 2 .]" 1
229 1 11 SER QB 1 14 THR H 3.655 . 5.510 2.676 2.227 3.013 . 0 0 "[ . 1 . 2 .]" 1
230 1 11 SER QB 1 14 THR MG 3.110 . 4.420 1.814 1.721 1.952 0.079 23 0 "[ . 1 . 2 .]" 1
231 1 11 SER HB2 1 12 LEU H 2.955 . 4.110 3.951 3.199 4.143 0.033 13 0 "[ . 1 . 2 .]" 1
232 1 11 SER HB2 1 14 THR MG 3.310 . 4.820 1.993 1.885 2.355 . 0 0 "[ . 1 . 2 .]" 1
233 1 11 SER HB3 1 12 LEU H 2.955 . 4.110 3.049 2.615 3.360 . 0 0 "[ . 1 . 2 .]" 1
234 1 11 SER HB3 1 14 THR MG 3.310 . 4.820 2.295 1.893 3.110 . 0 0 "[ . 1 . 2 .]" 1
235 1 12 LEU H 1 12 LEU HB2 2.720 . 3.640 3.581 3.569 3.601 . 0 0 "[ . 1 . 2 .]" 1
236 1 12 LEU H 1 12 LEU QB 2.495 . 3.190 2.747 2.563 2.840 . 0 0 "[ . 1 . 2 .]" 1
237 1 12 LEU H 1 12 LEU HB3 2.720 . 3.640 2.857 2.625 2.980 . 0 0 "[ . 1 . 2 .]" 1
238 1 12 LEU H 1 12 LEU MD1 2.955 . 4.110 2.541 2.220 3.278 . 0 0 "[ . 1 . 2 .]" 1
239 1 12 LEU H 1 12 LEU MD2 3.015 . 4.230 3.571 3.349 3.633 . 0 0 "[ . 1 . 2 .]" 1
240 1 12 LEU H 1 12 LEU HG 2.100 . 2.400 1.955 1.932 1.986 . 0 0 "[ . 1 . 2 .]" 1
241 1 12 LEU H 1 13 ASN H 2.470 . 3.140 2.569 2.473 2.752 . 0 0 "[ . 1 . 2 .]" 1
242 1 12 LEU HA 1 12 LEU MD2 3.360 . 4.920 4.106 4.068 4.122 . 0 0 "[ . 1 . 2 .]" 1
243 1 12 LEU HA 1 12 LEU HG 2.815 . 3.830 3.717 3.686 3.731 . 0 0 "[ . 1 . 2 .]" 1
244 1 12 LEU HA 1 13 ASN H 2.625 . 3.450 3.430 3.411 3.459 0.009 22 0 "[ . 1 . 2 .]" 1
245 1 12 LEU HA 1 13 ASN QB 4.090 . 6.380 5.303 5.239 5.385 . 0 0 "[ . 1 . 2 .]" 1
246 1 12 LEU HA 1 14 THR H 2.955 . 4.110 3.857 3.786 4.064 . 0 0 "[ . 1 . 2 .]" 1
247 1 12 LEU QB 1 12 LEU MD2 2.605 . 3.410 2.074 2.016 2.100 . 0 0 "[ . 1 . 2 .]" 1
248 1 12 LEU HB2 1 12 LEU MD2 2.690 . 3.580 2.340 2.201 2.556 . 0 0 "[ . 1 . 2 .]" 1
249 1 12 LEU HB2 1 13 ASN H 3.650 . 5.500 3.969 3.885 4.015 . 0 0 "[ . 1 . 2 .]" 1
250 1 12 LEU HB3 1 12 LEU MD2 2.690 . 3.580 2.340 2.112 2.454 . 0 0 "[ . 1 . 2 .]" 1
251 1 12 LEU HB3 1 13 ASN H 3.650 . 5.500 4.349 4.242 4.410 . 0 0 "[ . 1 . 2 .]" 1
252 1 12 LEU MD1 1 13 ASN H 3.745 . 5.690 2.000 1.915 2.246 . 0 0 "[ . 1 . 2 .]" 1
253 1 12 LEU MD1 1 13 ASN QB 3.270 . 4.740 2.333 2.041 2.704 . 0 0 "[ . 1 . 2 .]" 1
254 1 12 LEU MD1 1 35 TYR QD 4.675 . 7.550 5.323 4.629 5.849 . 0 0 "[ . 1 . 2 .]" 1
255 1 12 LEU MD1 1 35 TYR QE 4.920 . 8.040 4.806 3.908 5.332 . 0 0 "[ . 1 . 2 .]" 1
256 1 12 LEU MD2 1 13 ASN H 3.650 . 5.500 4.458 4.352 4.510 . 0 0 "[ . 1 . 2 .]" 1
257 1 12 LEU MD2 1 35 TYR QD 5.235 . 8.670 4.727 4.091 5.024 . 0 0 "[ . 1 . 2 .]" 1
258 1 12 LEU MD2 1 35 TYR QE 4.530 . 7.260 3.617 2.784 4.015 . 0 0 "[ . 1 . 2 .]" 1
259 1 12 LEU HG 1 13 ASN H 3.075 . 4.350 3.479 2.938 3.735 . 0 0 "[ . 1 . 2 .]" 1
260 1 12 LEU HG 1 35 TYR QE 4.715 . 7.630 3.829 2.768 4.550 . 0 0 "[ . 1 . 2 .]" 1
261 1 13 ASN H 1 13 ASN HA 2.350 . 2.900 2.934 2.926 2.937 0.037 24 0 "[ . 1 . 2 .]" 1
262 1 13 ASN H 1 13 ASN HB2 2.800 . 3.800 3.222 2.343 3.717 . 0 0 "[ . 1 . 2 .]" 1
263 1 13 ASN H 1 13 ASN QB 2.610 . 3.420 2.690 2.314 2.955 . 0 0 "[ . 1 . 2 .]" 1
264 1 13 ASN H 1 13 ASN HB3 2.800 . 3.800 3.221 2.946 3.667 . 0 0 "[ . 1 . 2 .]" 1
265 1 13 ASN H 1 13 ASN HD21 3.325 . 4.850 4.038 3.330 4.620 . 0 0 "[ . 1 . 2 .]" 1
266 1 13 ASN H 1 13 ASN HD22 3.325 . 4.850 4.336 3.566 4.864 0.014 5 0 "[ . 1 . 2 .]" 1
267 1 13 ASN H 1 14 THR H 2.300 . 2.800 2.368 2.181 2.421 . 0 0 "[ . 1 . 2 .]" 1
268 1 13 ASN H 1 14 THR HA 3.280 . 4.760 4.780 4.749 4.812 0.052 5 0 "[ . 1 . 2 .]" 1
269 1 13 ASN H 1 14 THR MG 3.435 . 5.070 3.364 3.207 3.755 . 0 0 "[ . 1 . 2 .]" 1
270 1 13 ASN HA 1 14 THR H 2.565 . 3.330 3.204 3.183 3.352 0.022 23 0 "[ . 1 . 2 .]" 1
271 1 13 ASN QB 1 14 THR H 3.085 . 4.370 3.818 3.579 3.975 . 0 0 "[ . 1 . 2 .]" 1
272 1 13 ASN HB2 1 14 THR H 3.185 . 4.570 4.177 3.815 4.413 . 0 0 "[ . 1 . 2 .]" 1
273 1 13 ASN HB3 1 14 THR H 3.185 . 4.570 4.427 4.200 4.580 0.010 14 0 "[ . 1 . 2 .]" 1
274 1 14 THR H 1 14 THR HB 2.765 . 3.730 3.694 3.601 3.730 . 0 0 "[ . 1 . 2 .]" 1
275 1 14 THR H 1 14 THR MG 2.660 . 3.520 2.695 2.418 2.787 . 0 0 "[ . 1 . 2 .]" 1
276 1 14 THR H 1 15 GLN H 3.090 . 4.380 4.418 4.402 4.452 0.072 3 0 "[ . 1 . 2 .]" 1
277 1 14 THR HA 1 14 THR HB 2.425 . 3.050 2.477 2.434 2.547 . 0 0 "[ . 1 . 2 .]" 1
278 1 14 THR HA 1 14 THR MG 2.615 . 3.430 2.437 2.380 2.502 . 0 0 "[ . 1 . 2 .]" 1
279 1 14 THR HA 1 15 GLN H 2.490 . 3.180 2.632 2.607 2.666 . 0 0 "[ . 1 . 2 .]" 1
280 1 14 THR HB 1 15 GLN H 2.145 . 2.490 1.991 1.978 1.999 . 0 0 "[ . 1 . 2 .]" 1
281 1 14 THR HB 1 15 GLN QG 4.090 . 6.380 3.726 3.546 3.980 . 0 0 "[ . 1 . 2 .]" 1
282 1 15 GLN H 1 15 GLN HB2 2.660 . 3.520 2.585 2.437 2.767 . 0 0 "[ . 1 . 2 .]" 1
283 1 15 GLN H 1 15 GLN QB 2.450 . 3.100 2.526 2.398 2.677 . 0 0 "[ . 1 . 2 .]" 1
284 1 15 GLN H 1 15 GLN HB3 2.660 . 3.520 3.573 3.564 3.579 0.059 9 0 "[ . 1 . 2 .]" 1
285 1 15 GLN H 1 15 GLN QG 2.680 . 3.560 2.076 1.970 2.305 . 0 0 "[ . 1 . 2 .]" 1
286 1 15 GLN H 1 16 PRO QD 4.090 . 6.380 4.423 4.417 4.426 . 0 0 "[ . 1 . 2 .]" 1
287 1 15 GLN HA 1 15 GLN QG 2.775 . 3.750 2.803 2.497 3.105 . 0 0 "[ . 1 . 2 .]" 1
288 1 15 GLN HA 1 16 PRO QD 2.560 . 3.320 2.196 2.182 2.208 . 0 0 "[ . 1 . 2 .]" 1
289 1 15 GLN HA 1 16 PRO HG2 3.420 . 5.040 4.566 4.550 4.584 . 0 0 "[ . 1 . 2 .]" 1
290 1 15 GLN HA 1 16 PRO HG3 3.495 . 5.190 4.622 4.606 4.639 . 0 0 "[ . 1 . 2 .]" 1
291 1 15 GLN QB 1 16 PRO QD 2.995 . 4.190 1.968 1.958 2.004 . 0 0 "[ . 1 . 2 .]" 1
292 1 15 GLN HB2 1 16 PRO HD2 3.675 . 5.550 3.481 3.330 3.574 . 0 0 "[ . 1 . 2 .]" 1
293 1 15 GLN HB2 1 16 PRO HD3 3.675 . 5.550 4.682 4.547 4.768 . 0 0 "[ . 1 . 2 .]" 1
294 1 15 GLN HB3 1 16 PRO HD2 3.675 . 5.550 1.992 1.981 2.029 . 0 0 "[ . 1 . 2 .]" 1
295 1 15 GLN HB3 1 16 PRO HD3 3.675 . 5.550 3.492 3.449 3.528 . 0 0 "[ . 1 . 2 .]" 1
296 1 15 GLN QG 1 16 PRO QD 3.735 . 5.670 3.687 3.368 3.818 . 0 0 "[ . 1 . 2 .]" 1
297 1 16 PRO HA 1 17 CYS H 2.180 . 2.560 2.567 2.541 2.583 0.023 23 0 "[ . 1 . 2 .]" 1
298 1 16 PRO HA 1 17 CYS HA 3.605 . 5.410 4.343 4.336 4.351 . 0 0 "[ . 1 . 2 .]" 1
299 1 16 PRO QB 1 17 CYS HB2 4.090 . 6.380 4.294 4.261 4.348 . 0 0 "[ . 1 . 2 .]" 1
300 1 16 PRO QD 1 17 CYS H 3.695 . 5.590 4.867 4.849 4.892 . 0 0 "[ . 1 . 2 .]" 1
301 1 16 PRO HG2 1 17 CYS H 3.480 . 5.160 4.191 4.145 4.269 . 0 0 "[ . 1 . 2 .]" 1
302 1 17 CYS CB 1 37 CYS SG 3.050 3.000 3.100 3.036 3.034 3.039 . 0 0 "[ . 1 . 2 .]" 1
303 1 17 CYS H 1 18 CYS H 3.140 . 4.480 4.507 4.501 4.514 0.034 16 0 "[ . 1 . 2 .]" 1
304 1 17 CYS H 1 21 ALA MB 4.010 . 6.220 4.187 4.148 4.223 . 0 0 "[ . 1 . 2 .]" 1
305 1 17 CYS HA 1 18 CYS H 2.145 . 2.490 2.521 2.515 2.535 0.045 24 0 "[ . 1 . 2 .]" 1
306 1 17 CYS HA 1 18 CYS HA 3.215 . 4.630 4.373 4.369 4.376 . 0 0 "[ . 1 . 2 .]" 1
307 1 17 CYS HA 1 21 ALA MB 3.280 . 4.760 3.816 3.809 3.823 . 0 0 "[ . 1 . 2 .]" 1
308 1 17 CYS HB2 1 18 CYS H 2.845 . 3.890 3.240 3.215 3.266 . 0 0 "[ . 1 . 2 .]" 1
309 1 17 CYS HB2 1 21 ALA H 2.830 . 3.860 2.974 2.954 2.991 . 0 0 "[ . 1 . 2 .]" 1
310 1 17 CYS HB2 1 21 ALA MB 2.615 . 3.430 2.065 2.018 2.117 . 0 0 "[ . 1 . 2 .]" 1
311 1 17 CYS HB3 1 18 CYS H 2.800 . 3.800 2.129 2.099 2.146 . 0 0 "[ . 1 . 2 .]" 1
312 1 17 CYS HB3 1 21 ALA H 2.970 . 4.140 3.670 3.619 3.713 . 0 0 "[ . 1 . 2 .]" 1
313 1 17 CYS HB3 1 21 ALA MB 2.645 . 3.490 1.861 1.849 1.868 . 0 0 "[ . 1 . 2 .]" 1
314 1 17 CYS SG 1 37 CYS CB 3.050 3.000 3.100 3.039 3.037 3.041 . 0 0 "[ . 1 . 2 .]" 1
315 1 17 CYS SG 1 37 CYS SG 2.050 . 2.100 2.031 2.030 2.032 . 0 0 "[ . 1 . 2 .]" 1
316 1 18 CYS H 1 19 ASP H 3.140 . 4.480 4.523 4.519 4.527 0.047 24 0 "[ . 1 . 2 .]" 1
317 1 18 CYS H 1 21 ALA MB 3.620 . 5.440 2.685 2.671 2.700 . 0 0 "[ . 1 . 2 .]" 1
318 1 18 CYS HA 1 19 ASP H 2.160 . 2.520 2.436 2.423 2.447 . 0 0 "[ . 1 . 2 .]" 1
319 1 18 CYS HB3 1 19 ASP H 2.335 . 2.870 2.398 2.379 2.416 . 0 0 "[ . 1 . 2 .]" 1
320 1 18 CYS O 1 21 ALA H 1.900 . 2.100 2.116 2.111 2.122 0.022 24 0 "[ . 1 . 2 .]" 1
321 1 18 CYS O 1 21 ALA N 2.900 2.700 3.100 2.855 2.846 2.862 . 0 0 "[ . 1 . 2 .]" 1
322 1 19 ASP H 1 19 ASP HA 2.145 . 2.490 2.279 2.278 2.281 . 0 0 "[ . 1 . 2 .]" 1
323 1 19 ASP H 1 19 ASP HB2 2.920 . 4.040 3.434 3.345 3.607 . 0 0 "[ . 1 . 2 .]" 1
324 1 19 ASP H 1 20 ASP H 2.580 . 3.360 2.733 2.725 2.743 . 0 0 "[ . 1 . 2 .]" 1
325 1 19 ASP HA 1 20 ASP H 2.455 . 3.110 2.911 2.893 2.923 . 0 0 "[ . 1 . 2 .]" 1
326 1 19 ASP HA 1 21 ALA H 3.245 . 4.690 4.695 4.688 4.700 0.010 16 0 "[ . 1 . 2 .]" 1
327 1 20 ASP H 1 20 ASP HA 2.160 . 2.520 2.268 2.262 2.270 . 0 0 "[ . 1 . 2 .]" 1
328 1 20 ASP H 1 20 ASP HB2 2.905 . 4.010 3.316 3.096 3.705 . 0 0 "[ . 1 . 2 .]" 1
329 1 20 ASP H 1 20 ASP HB3 2.905 . 4.010 3.890 3.658 4.091 0.081 1 0 "[ . 1 . 2 .]" 1
330 1 20 ASP H 1 21 ALA H 2.270 . 2.740 2.625 2.616 2.649 . 0 0 "[ . 1 . 2 .]" 1
331 1 20 ASP H 1 21 ALA MB 3.960 . 6.120 4.207 4.199 4.230 . 0 0 "[ . 1 . 2 .]" 1
332 1 20 ASP HA 1 21 ALA H 2.300 . 2.800 2.833 2.825 2.837 0.037 4 0 "[ . 1 . 2 .]" 1
333 1 21 ALA H 1 21 ALA MB 2.615 . 3.430 2.120 2.109 2.128 . 0 0 "[ . 1 . 2 .]" 1
334 1 21 ALA H 1 22 THR H 3.200 . 4.600 4.545 4.529 4.558 . 0 0 "[ . 1 . 2 .]" 1
335 1 21 ALA HA 1 22 THR H 2.180 . 2.560 2.543 2.508 2.563 0.003 13 0 "[ . 1 . 2 .]" 1
336 1 21 ALA HA 1 38 ARG H 3.215 . 4.630 4.187 4.132 4.266 . 0 0 "[ . 1 . 2 .]" 1
337 1 21 ALA HA 1 39 ALA HA 2.535 . 3.270 2.185 2.089 2.285 . 0 0 "[ . 1 . 2 .]" 1
338 1 21 ALA HA 1 39 ALA MB 3.310 . 4.820 3.863 3.755 3.943 . 0 0 "[ . 1 . 2 .]" 1
339 1 21 ALA MB 1 22 THR H 2.615 . 3.430 2.148 2.088 2.208 . 0 0 "[ . 1 . 2 .]" 1
340 1 21 ALA MB 1 37 CYS H 4.165 . 6.530 5.217 5.195 5.249 . 0 0 "[ . 1 . 2 .]" 1
341 1 21 ALA MB 1 37 CYS HA 3.080 . 4.360 3.375 3.363 3.386 . 0 0 "[ . 1 . 2 .]" 1
342 1 21 ALA MB 1 37 CYS HB2 3.295 . 4.790 3.908 3.875 3.963 . 0 0 "[ . 1 . 2 .]" 1
343 1 21 ALA MB 1 37 CYS HB3 2.615 . 3.430 2.426 2.392 2.485 . 0 0 "[ . 1 . 2 .]" 1
344 1 21 ALA MB 1 38 ARG H 2.720 . 3.640 2.588 2.550 2.631 . 0 0 "[ . 1 . 2 .]" 1
345 1 21 ALA MB 1 38 ARG HA 3.220 . 4.640 3.637 3.592 3.709 . 0 0 "[ . 1 . 2 .]" 1
346 1 21 ALA MB 1 39 ALA HA 2.830 . 3.860 2.237 2.145 2.314 . 0 0 "[ . 1 . 2 .]" 1
347 1 22 THR H 1 22 THR HB 2.365 . 2.930 2.765 2.744 2.789 . 0 0 "[ . 1 . 2 .]" 1
348 1 22 THR H 1 22 THR MG 3.185 . 4.570 3.912 3.906 3.920 . 0 0 "[ . 1 . 2 .]" 1
349 1 22 THR H 1 23 CYS H 3.185 . 4.570 4.340 4.322 4.354 . 0 0 "[ . 1 . 2 .]" 1
350 1 22 THR H 1 37 CYS HA 3.090 . 4.380 3.743 3.674 3.795 . 0 0 "[ . 1 . 2 .]" 1
351 1 22 THR H 1 38 ARG H 2.395 . 2.990 2.205 2.145 2.277 . 0 0 "[ . 1 . 2 .]" 1
352 1 22 THR H 1 38 ARG HA 3.635 . 5.470 4.399 4.340 4.452 . 0 0 "[ . 1 . 2 .]" 1
353 1 22 THR H 1 38 ARG QB 4.090 . 6.380 3.438 3.355 3.521 . 0 0 "[ . 1 . 2 .]" 1
354 1 22 THR H 1 38 ARG O 1.900 . 2.100 2.025 1.952 2.080 . 0 0 "[ . 1 . 2 .]" 1
355 1 22 THR H 1 39 ALA HA 3.140 . 4.480 4.020 3.932 4.077 . 0 0 "[ . 1 . 2 .]" 1
356 1 22 THR HA 1 22 THR MG 2.615 . 3.430 2.390 2.332 2.490 . 0 0 "[ . 1 . 2 .]" 1
357 1 22 THR HB 1 23 CYS H 2.905 . 4.010 4.014 3.994 4.023 0.013 9 0 "[ . 1 . 2 .]" 1
358 1 22 THR HB 1 38 ARG H 3.635 . 5.470 4.002 3.953 4.035 . 0 0 "[ . 1 . 2 .]" 1
359 1 22 THR MG 1 23 CYS H 2.705 . 3.610 2.287 2.121 2.475 . 0 0 "[ . 1 . 2 .]" 1
360 1 22 THR MG 1 23 CYS QB 3.830 . 5.860 3.663 3.559 3.730 . 0 0 "[ . 1 . 2 .]" 1
361 1 22 THR N 1 38 ARG O 2.900 2.700 3.100 2.861 2.789 2.923 . 0 0 "[ . 1 . 2 .]" 1
362 1 22 THR O 1 38 ARG H 1.900 . 2.100 2.128 2.116 2.136 0.036 5 0 "[ . 1 . 2 .]" 1
363 1 22 THR O 1 38 ARG N 2.900 2.700 3.100 3.014 2.985 3.027 . 0 0 "[ . 1 . 2 .]" 1
364 1 23 CYS H 1 23 CYS HB2 2.395 . 2.990 2.399 2.386 2.408 . 0 0 "[ . 1 . 2 .]" 1
365 1 23 CYS H 1 23 CYS HB3 2.395 . 2.990 2.723 2.717 2.729 . 0 0 "[ . 1 . 2 .]" 1
366 1 23 CYS HA 1 24 THR H 2.115 . 2.430 2.166 2.158 2.171 . 0 0 "[ . 1 . 2 .]" 1
367 1 23 CYS HA 1 36 TYR H 3.015 . 4.230 4.230 4.201 4.243 0.013 22 0 "[ . 1 . 2 .]" 1
368 1 23 CYS HA 1 37 CYS H 3.420 . 5.040 4.628 4.610 4.657 . 0 0 "[ . 1 . 2 .]" 1
369 1 23 CYS HA 1 37 CYS HA 2.440 . 3.080 2.615 2.602 2.633 . 0 0 "[ . 1 . 2 .]" 1
370 1 23 CYS HA 1 38 ARG H 3.075 . 4.350 3.995 3.957 4.036 . 0 0 "[ . 1 . 2 .]" 1
371 1 23 CYS QB 1 24 THR H 3.145 . 4.490 3.879 3.874 3.882 . 0 0 "[ . 1 . 2 .]" 1
372 1 23 CYS QB 1 37 CYS HA 4.090 . 6.380 4.386 4.361 4.415 . 0 0 "[ . 1 . 2 .]" 1
373 1 23 CYS HB2 1 24 THR H 3.325 . 4.850 4.526 4.517 4.532 . 0 0 "[ . 1 . 2 .]" 1
374 1 23 CYS HB3 1 24 THR H 3.325 . 4.850 4.220 4.216 4.223 . 0 0 "[ . 1 . 2 .]" 1
375 1 24 THR H 1 24 THR HB 2.315 . 2.830 2.523 2.499 2.538 . 0 0 "[ . 1 . 2 .]" 1
376 1 24 THR H 1 24 THR MG 3.110 . 4.420 3.794 3.787 3.799 . 0 0 "[ . 1 . 2 .]" 1
377 1 24 THR H 1 25 GLN H 3.110 . 4.420 4.465 4.457 4.475 0.055 17 0 "[ . 1 . 2 .]" 1
378 1 24 THR H 1 35 TYR HA 3.125 . 4.450 4.338 4.280 4.416 . 0 0 "[ . 1 . 2 .]" 1
379 1 24 THR H 1 36 TYR H 2.440 . 3.080 2.948 2.929 2.970 . 0 0 "[ . 1 . 2 .]" 1
380 1 24 THR H 1 36 TYR O 1.900 . 2.100 1.744 1.724 1.768 . 0 0 "[ . 1 . 2 .]" 1
381 1 24 THR H 1 37 CYS HA 2.735 . 3.670 3.472 3.435 3.506 . 0 0 "[ . 1 . 2 .]" 1
382 1 24 THR H 1 38 ARG H 3.245 . 4.690 4.318 4.261 4.364 . 0 0 "[ . 1 . 2 .]" 1
383 1 24 THR H 1 38 ARG QG 4.090 . 6.380 3.861 3.736 3.992 . 0 0 "[ . 1 . 2 .]" 1
384 1 24 THR HA 1 24 THR MG 2.615 . 3.430 2.523 2.499 2.555 . 0 0 "[ . 1 . 2 .]" 1
385 1 24 THR HA 1 25 GLN H 2.100 . 2.400 2.279 2.273 2.284 . 0 0 "[ . 1 . 2 .]" 1
386 1 24 THR HA 1 35 TYR QD 4.720 . 7.640 4.521 3.990 5.142 . 0 0 "[ . 1 . 2 .]" 1
387 1 24 THR HA 1 36 TYR H 3.385 . 4.970 4.641 4.595 4.690 . 0 0 "[ . 1 . 2 .]" 1
388 1 24 THR HB 1 25 GLN H 3.045 . 4.290 3.818 3.806 3.828 . 0 0 "[ . 1 . 2 .]" 1
389 1 24 THR HB 1 36 TYR H 2.970 . 4.140 4.112 4.037 4.155 0.015 12 0 "[ . 1 . 2 .]" 1
390 1 24 THR HB 1 38 ARG QB 3.705 . 5.610 3.967 3.835 4.049 . 0 0 "[ . 1 . 2 .]" 1
391 1 24 THR HB 1 38 ARG HE 3.650 . 5.500 4.341 4.223 4.444 . 0 0 "[ . 1 . 2 .]" 1
392 1 24 THR HB 1 38 ARG QG 3.425 . 5.050 2.920 2.840 2.979 . 0 0 "[ . 1 . 2 .]" 1
393 1 24 THR MG 1 25 GLN H 2.615 . 3.430 2.011 1.967 2.064 . 0 0 "[ . 1 . 2 .]" 1
394 1 24 THR MG 1 25 GLN HA 3.545 . 5.290 3.816 3.770 3.846 . 0 0 "[ . 1 . 2 .]" 1
395 1 24 THR MG 1 25 GLN QG 3.845 . 5.890 4.321 4.289 4.339 . 0 0 "[ . 1 . 2 .]" 1
396 1 24 THR MG 1 26 GLU HA 3.870 . 5.940 4.293 4.194 4.385 . 0 0 "[ . 1 . 2 .]" 1
397 1 24 THR MG 1 26 GLU HG2 3.125 . 4.450 3.056 2.942 3.135 . 0 0 "[ . 1 . 2 .]" 1
398 1 24 THR MG 1 26 GLU QG 2.870 . 3.940 2.683 2.597 2.733 . 0 0 "[ . 1 . 2 .]" 1
399 1 24 THR MG 1 26 GLU HG3 3.125 . 4.450 2.973 2.865 3.025 . 0 0 "[ . 1 . 2 .]" 1
400 1 24 THR MG 1 36 TYR H 3.635 . 5.470 4.435 4.410 4.455 . 0 0 "[ . 1 . 2 .]" 1
401 1 24 THR MG 1 38 ARG QB 4.110 . 6.420 4.584 4.460 4.632 . 0 0 "[ . 1 . 2 .]" 1
402 1 24 THR MG 1 38 ARG HE 3.590 . 5.380 4.350 4.324 4.369 . 0 0 "[ . 1 . 2 .]" 1
403 1 24 THR MG 1 38 ARG QG 3.955 . 6.110 3.639 3.584 3.704 . 0 0 "[ . 1 . 2 .]" 1
404 1 24 THR N 1 36 TYR O 2.900 2.700 3.100 2.692 2.674 2.716 0.026 3 0 "[ . 1 . 2 .]" 1
405 1 24 THR O 1 36 TYR H 1.900 . 2.100 1.770 1.728 1.831 . 0 0 "[ . 1 . 2 .]" 1
406 1 24 THR O 1 36 TYR N 2.900 2.700 3.100 2.727 2.691 2.776 0.009 1 0 "[ . 1 . 2 .]" 1
407 1 25 GLN H 1 25 GLN QB 2.330 . 2.860 2.212 2.192 2.218 . 0 0 "[ . 1 . 2 .]" 1
408 1 25 GLN H 1 25 GLN HB3 2.520 . 3.240 2.347 2.301 2.362 . 0 0 "[ . 1 . 2 .]" 1
409 1 25 GLN H 1 25 GLN QG 3.655 . 5.510 3.911 3.897 3.917 . 0 0 "[ . 1 . 2 .]" 1
410 1 25 GLN H 1 26 GLU H 3.140 . 4.480 4.532 4.512 4.564 0.084 17 0 "[ . 1 . 2 .]" 1
411 1 25 GLN H 1 33 THR MG 4.165 . 6.530 5.481 5.470 5.493 . 0 0 "[ . 1 . 2 .]" 1
412 1 25 GLN H 1 35 TYR QD 4.550 . 7.300 4.241 3.620 5.310 . 0 0 "[ . 1 . 2 .]" 1
413 1 25 GLN HA 1 25 GLN HG2 2.580 . 3.360 3.399 3.381 3.409 0.049 12 0 "[ . 1 . 2 .]" 1
414 1 25 GLN HA 1 25 GLN QG 2.460 . 3.120 2.483 2.456 2.549 . 0 0 "[ . 1 . 2 .]" 1
415 1 25 GLN HA 1 25 GLN HG3 2.580 . 3.360 2.552 2.518 2.636 . 0 0 "[ . 1 . 2 .]" 1
416 1 25 GLN HA 1 26 GLU H 2.100 . 2.400 2.167 2.154 2.208 . 0 0 "[ . 1 . 2 .]" 1
417 1 25 GLN HA 1 33 THR MG 3.095 . 4.390 3.650 3.605 3.673 . 0 0 "[ . 1 . 2 .]" 1
418 1 25 GLN HA 1 34 VAL H 3.355 . 4.910 4.239 4.033 4.429 . 0 0 "[ . 1 . 2 .]" 1
419 1 25 GLN HA 1 35 TYR HA 2.520 . 3.240 2.557 2.498 2.623 . 0 0 "[ . 1 . 2 .]" 1
420 1 25 GLN HA 1 35 TYR QD 4.020 . 6.240 2.904 2.162 4.025 . 0 0 "[ . 1 . 2 .]" 1
421 1 25 GLN HA 1 35 TYR QE 4.470 . 7.140 4.194 3.521 4.977 . 0 0 "[ . 1 . 2 .]" 1
422 1 25 GLN HA 1 36 TYR H 2.890 . 3.980 3.828 3.749 3.934 . 0 0 "[ . 1 . 2 .]" 1
423 1 25 GLN QB 1 35 TYR QD 4.595 . 7.390 3.432 2.953 4.512 . 0 0 "[ . 1 . 2 .]" 1
424 1 25 GLN QB 1 35 TYR QE 4.345 . 6.890 3.470 2.598 4.336 . 0 0 "[ . 1 . 2 .]" 1
425 1 25 GLN HB2 1 33 THR MG 3.590 . 5.380 3.604 3.567 3.663 . 0 0 "[ . 1 . 2 .]" 1
426 1 25 GLN HB2 1 35 TYR QD 4.720 . 7.640 3.505 3.004 4.674 . 0 0 "[ . 1 . 2 .]" 1
427 1 25 GLN HB2 1 35 TYR QE 4.715 . 7.630 3.526 2.618 4.437 . 0 0 "[ . 1 . 2 .]" 1
428 1 25 GLN HB3 1 33 THR MG 3.590 . 5.380 4.147 4.119 4.242 . 0 0 "[ . 1 . 2 .]" 1
429 1 25 GLN HB3 1 35 TYR QD 4.720 . 7.640 4.925 4.360 5.943 . 0 0 "[ . 1 . 2 .]" 1
430 1 25 GLN HB3 1 35 TYR QE 4.715 . 7.630 5.212 4.361 6.099 . 0 0 "[ . 1 . 2 .]" 1
431 1 25 GLN QE 1 33 THR MG 3.810 . 5.820 2.462 1.945 3.015 . 0 0 "[ . 1 . 2 .]" 1
432 1 25 GLN QG 1 26 GLU H 2.520 . 3.240 2.613 2.401 2.734 . 0 0 "[ . 1 . 2 .]" 1
433 1 25 GLN QG 1 33 THR MG 2.725 . 3.650 1.823 1.813 1.863 . 0 0 "[ . 1 . 2 .]" 1
434 1 25 GLN QG 1 34 VAL H 3.470 . 5.140 3.289 3.080 3.547 . 0 0 "[ . 1 . 2 .]" 1
435 1 25 GLN QG 1 35 TYR QE 4.605 . 7.410 4.219 3.540 5.130 . 0 0 "[ . 1 . 2 .]" 1
436 1 25 GLN HG2 1 26 GLU H 2.920 . 4.040 3.361 3.039 3.511 . 0 0 "[ . 1 . 2 .]" 1
437 1 25 GLN HG2 1 33 THR MG 2.875 . 3.950 2.661 2.534 2.951 . 0 0 "[ . 1 . 2 .]" 1
438 1 25 GLN HG2 1 35 TYR QE 4.715 . 7.630 5.704 4.981 6.666 . 0 0 "[ . 1 . 2 .]" 1
439 1 25 GLN HG3 1 26 GLU H 2.920 . 4.040 2.724 2.504 2.881 . 0 0 "[ . 1 . 2 .]" 1
440 1 25 GLN HG3 1 33 THR MG 2.875 . 3.950 1.856 1.846 1.884 . 0 0 "[ . 1 . 2 .]" 1
441 1 25 GLN HG3 1 35 TYR QE 4.715 . 7.630 4.349 3.622 5.333 . 0 0 "[ . 1 . 2 .]" 1
442 1 26 GLU H 1 26 GLU QG 3.220 . 4.640 3.052 2.982 3.210 . 0 0 "[ . 1 . 2 .]" 1
443 1 26 GLU H 1 27 ARG H 3.125 . 4.450 4.370 4.353 4.378 . 0 0 "[ . 1 . 2 .]" 1
444 1 26 GLU H 1 33 THR MG 3.065 . 4.330 3.408 3.063 3.488 . 0 0 "[ . 1 . 2 .]" 1
445 1 26 GLU H 1 34 VAL H 2.490 . 3.180 2.731 2.619 2.821 . 0 0 "[ . 1 . 2 .]" 1
446 1 26 GLU H 1 34 VAL MG2 3.775 . 5.750 2.951 2.678 3.267 . 0 0 "[ . 1 . 2 .]" 1
447 1 26 GLU H 1 34 VAL O 1.900 . 2.100 1.704 1.690 1.763 0.010 21 0 "[ . 1 . 2 .]" 1
448 1 26 GLU H 1 35 TYR HA 2.815 . 3.830 3.236 3.133 3.364 . 0 0 "[ . 1 . 2 .]" 1
449 1 26 GLU H 1 36 TYR H 3.340 . 4.880 4.140 3.952 4.502 . 0 0 "[ . 1 . 2 .]" 1
450 1 26 GLU HA 1 26 GLU HG2 2.505 . 3.210 2.548 2.466 2.634 . 0 0 "[ . 1 . 2 .]" 1
451 1 26 GLU HA 1 26 GLU QG 2.405 . 3.010 2.456 2.394 2.521 . 0 0 "[ . 1 . 2 .]" 1
452 1 26 GLU HA 1 26 GLU HG3 2.505 . 3.210 3.222 3.212 3.239 0.029 24 0 "[ . 1 . 2 .]" 1
453 1 26 GLU HA 1 27 ARG H 2.195 . 2.590 2.610 2.588 2.623 0.033 24 0 "[ . 1 . 2 .]" 1
454 1 26 GLU HB2 1 27 ARG H 2.455 . 3.110 3.128 3.121 3.138 0.028 24 0 "[ . 1 . 2 .]" 1
455 1 26 GLU HB3 1 27 ARG H 2.240 . 2.680 2.054 1.995 2.151 . 0 0 "[ . 1 . 2 .]" 1
456 1 26 GLU HB3 1 36 TYR H 3.620 . 5.440 5.457 5.448 5.470 0.030 24 0 "[ . 1 . 2 .]" 1
457 1 26 GLU QG 1 27 ARG H 3.345 . 4.890 3.869 3.817 3.946 . 0 0 "[ . 1 . 2 .]" 1
458 1 26 GLU QG 1 36 TYR H 4.090 . 6.380 3.046 2.999 3.203 . 0 0 "[ . 1 . 2 .]" 1
459 1 26 GLU N 1 34 VAL O 2.900 2.700 3.100 2.655 2.640 2.665 0.060 24 0 "[ . 1 . 2 .]" 1
460 1 26 GLU O 1 34 VAL H 1.900 . 2.100 1.787 1.716 1.942 . 0 0 "[ . 1 . 2 .]" 1
461 1 26 GLU O 1 34 VAL N 2.900 2.700 3.100 2.722 2.686 2.869 0.014 12 0 "[ . 1 . 2 .]" 1
462 1 27 ARG H 1 27 ARG HB2 2.720 . 3.640 2.463 2.416 2.587 . 0 0 "[ . 1 . 2 .]" 1
463 1 27 ARG H 1 27 ARG QB 2.470 . 3.140 2.427 2.383 2.541 . 0 0 "[ . 1 . 2 .]" 1
464 1 27 ARG H 1 27 ARG HB3 2.720 . 3.640 3.660 3.630 3.708 0.068 16 0 "[ . 1 . 2 .]" 1
465 1 27 ARG H 1 27 ARG QD 4.090 . 6.380 4.637 4.212 4.925 . 0 0 "[ . 1 . 2 .]" 1
466 1 27 ARG H 1 27 ARG HG2 2.845 . 3.890 3.544 2.918 3.895 0.005 22 0 "[ . 1 . 2 .]" 1
467 1 27 ARG H 1 27 ARG QG 2.695 . 3.590 3.069 2.667 3.281 . 0 0 "[ . 1 . 2 .]" 1
468 1 27 ARG H 1 27 ARG HG3 2.845 . 3.890 3.489 2.893 3.900 0.010 20 0 "[ . 1 . 2 .]" 1
469 1 27 ARG H 1 28 ASN H 3.200 . 4.600 4.492 4.436 4.530 . 0 0 "[ . 1 . 2 .]" 1
470 1 27 ARG H 1 34 VAL MG2 3.360 . 4.920 3.611 3.369 3.872 . 0 0 "[ . 1 . 2 .]" 1
471 1 27 ARG HA 1 27 ARG QD 3.100 . 4.400 3.269 2.405 3.782 . 0 0 "[ . 1 . 2 .]" 1
472 1 27 ARG HA 1 27 ARG HG2 2.800 . 3.800 2.362 2.190 2.742 . 0 0 "[ . 1 . 2 .]" 1
473 1 27 ARG HA 1 27 ARG HG3 2.800 . 3.800 3.458 3.191 3.744 . 0 0 "[ . 1 . 2 .]" 1
474 1 27 ARG HA 1 28 ASN H 2.100 . 2.400 2.239 2.189 2.284 . 0 0 "[ . 1 . 2 .]" 1
475 1 27 ARG HA 1 33 THR HA 2.735 . 3.670 3.103 2.916 3.225 . 0 0 "[ . 1 . 2 .]" 1
476 1 27 ARG HA 1 33 THR MG 3.825 . 5.850 4.688 4.549 4.762 . 0 0 "[ . 1 . 2 .]" 1
477 1 27 ARG HA 1 34 VAL H 2.720 . 3.640 3.381 3.186 3.600 . 0 0 "[ . 1 . 2 .]" 1
478 1 27 ARG HA 1 34 VAL MG1 3.730 . 5.660 3.984 3.802 4.181 . 0 0 "[ . 1 . 2 .]" 1
479 1 27 ARG HA 1 34 VAL MG2 3.250 . 4.700 2.678 2.473 2.945 . 0 0 "[ . 1 . 2 .]" 1
480 1 27 ARG QB 1 28 ASN H 2.910 . 4.020 2.850 2.712 3.033 . 0 0 "[ . 1 . 2 .]" 1
481 1 27 ARG QB 1 31 GLY H 3.685 . 5.570 4.326 4.043 4.552 . 0 0 "[ . 1 . 2 .]" 1
482 1 27 ARG QB 1 31 GLY QA 3.645 . 5.490 3.102 2.656 3.456 . 0 0 "[ . 1 . 2 .]" 1
483 1 27 ARG QB 1 33 THR HA 4.090 . 6.380 4.827 4.615 4.968 . 0 0 "[ . 1 . 2 .]" 1
484 1 27 ARG HB2 1 31 GLY HA2 4.510 . 7.220 4.883 4.222 5.295 . 0 0 "[ . 1 . 2 .]" 1
485 1 27 ARG HB2 1 31 GLY HA3 4.510 . 7.220 6.578 5.918 7.018 . 0 0 "[ . 1 . 2 .]" 1
486 1 27 ARG HB3 1 31 GLY HA2 4.510 . 7.220 3.183 2.715 3.565 . 0 0 "[ . 1 . 2 .]" 1
487 1 27 ARG HB3 1 31 GLY HA3 4.510 . 7.220 4.887 4.352 5.288 . 0 0 "[ . 1 . 2 .]" 1
488 1 27 ARG QD 1 28 ASN H 3.720 . 5.640 3.945 3.118 4.421 . 0 0 "[ . 1 . 2 .]" 1
489 1 27 ARG QD 1 31 GLY H 4.090 . 6.380 4.725 4.149 5.220 . 0 0 "[ . 1 . 2 .]" 1
490 1 27 ARG QD 1 31 GLY QA 3.910 . 6.020 2.850 2.490 3.387 . 0 0 "[ . 1 . 2 .]" 1
491 1 27 ARG QD 1 33 THR HA 3.705 . 5.610 4.285 2.902 5.027 . 0 0 "[ . 1 . 2 .]" 1
492 1 27 ARG HD2 1 31 GLY HA2 4.400 . 7.000 3.356 2.620 4.286 . 0 0 "[ . 1 . 2 .]" 1
493 1 27 ARG HD2 1 31 GLY HA3 4.400 . 7.000 4.584 3.899 5.447 . 0 0 "[ . 1 . 2 .]" 1
494 1 27 ARG HD3 1 31 GLY HA2 4.400 . 7.000 3.716 2.548 4.648 . 0 0 "[ . 1 . 2 .]" 1
495 1 27 ARG HD3 1 31 GLY HA3 4.400 . 7.000 4.753 3.810 5.810 . 0 0 "[ . 1 . 2 .]" 1
496 1 27 ARG QG 1 28 ASN H 3.500 . 5.200 4.001 3.736 4.365 . 0 0 "[ . 1 . 2 .]" 1
497 1 27 ARG QG 1 33 THR HA 3.890 . 5.980 3.422 2.983 4.168 . 0 0 "[ . 1 . 2 .]" 1
498 1 27 ARG HG2 1 28 ASN H 3.650 . 5.500 4.186 3.855 4.720 . 0 0 "[ . 1 . 2 .]" 1
499 1 27 ARG HG3 1 28 ASN H 3.650 . 5.500 5.131 4.996 5.308 . 0 0 "[ . 1 . 2 .]" 1
500 1 28 ASN H 1 28 ASN HB2 2.815 . 3.830 3.698 3.660 3.740 . 0 0 "[ . 1 . 2 .]" 1
501 1 28 ASN H 1 28 ASN HB3 2.565 . 3.330 2.864 2.754 2.939 . 0 0 "[ . 1 . 2 .]" 1
502 1 28 ASN H 1 28 ASN QD 3.760 . 5.720 3.967 3.924 4.027 . 0 0 "[ . 1 . 2 .]" 1
503 1 28 ASN H 1 29 GLU H 3.185 . 4.570 4.433 4.400 4.458 . 0 0 "[ . 1 . 2 .]" 1
504 1 28 ASN H 1 30 ASN H 3.635 . 5.470 4.524 4.371 4.787 . 0 0 "[ . 1 . 2 .]" 1
505 1 28 ASN H 1 31 GLY H 2.970 . 4.140 3.181 3.043 3.388 . 0 0 "[ . 1 . 2 .]" 1
506 1 28 ASN H 1 31 GLY QA 3.500 . 5.200 3.597 3.339 3.840 . 0 0 "[ . 1 . 2 .]" 1
507 1 28 ASN H 1 32 HIS H 2.645 . 3.490 3.417 3.159 3.508 0.018 12 0 "[ . 1 . 2 .]" 1
508 1 28 ASN H 1 33 THR HA 3.355 . 4.910 4.465 4.312 4.630 . 0 0 "[ . 1 . 2 .]" 1
509 1 28 ASN H 1 34 VAL MG1 3.125 . 4.450 3.429 3.343 3.554 . 0 0 "[ . 1 . 2 .]" 1
510 1 28 ASN H 1 34 VAL MG2 3.050 . 4.300 3.004 2.729 3.216 . 0 0 "[ . 1 . 2 .]" 1
511 1 28 ASN HA 1 29 GLU H 2.395 . 2.990 2.662 2.618 2.698 . 0 0 "[ . 1 . 2 .]" 1
512 1 28 ASN HA 1 30 ASN H 3.355 . 4.910 4.449 4.368 4.722 . 0 0 "[ . 1 . 2 .]" 1
513 1 28 ASN HA 1 34 VAL MG1 4.165 . 6.530 4.254 4.044 4.412 . 0 0 "[ . 1 . 2 .]" 1
514 1 28 ASN HA 1 34 VAL MG2 3.775 . 5.750 3.336 3.191 3.455 . 0 0 "[ . 1 . 2 .]" 1
515 1 28 ASN HB2 1 28 ASN HD21 2.860 . 3.920 2.445 2.409 2.477 . 0 0 "[ . 1 . 2 .]" 1
516 1 28 ASN HB2 1 28 ASN QD 2.620 . 3.440 2.405 2.372 2.434 . 0 0 "[ . 1 . 2 .]" 1
517 1 28 ASN HB2 1 28 ASN HD22 2.860 . 3.920 3.566 3.551 3.579 . 0 0 "[ . 1 . 2 .]" 1
518 1 28 ASN HB2 1 29 GLU H 2.255 . 2.710 2.003 1.990 2.040 . 0 0 "[ . 1 . 2 .]" 1
519 1 28 ASN HB2 1 30 ASN H 2.890 . 3.980 3.114 3.032 3.394 . 0 0 "[ . 1 . 2 .]" 1
520 1 28 ASN HB2 1 34 VAL MG1 3.715 . 5.630 3.578 3.339 3.838 . 0 0 "[ . 1 . 2 .]" 1
521 1 28 ASN HB2 1 34 VAL MG2 3.360 . 4.920 3.838 3.537 3.954 . 0 0 "[ . 1 . 2 .]" 1
522 1 28 ASN HB3 1 28 ASN HD21 2.735 . 3.670 2.642 2.607 2.682 . 0 0 "[ . 1 . 2 .]" 1
523 1 28 ASN HB3 1 28 ASN QD 2.495 . 3.190 2.584 2.552 2.620 . 0 0 "[ . 1 . 2 .]" 1
524 1 28 ASN HB3 1 28 ASN HD22 2.735 . 3.670 3.651 3.635 3.670 . 0 0 "[ . 1 . 2 .]" 1
525 1 28 ASN HB3 1 29 GLU H 2.675 . 3.550 3.541 3.532 3.557 0.007 12 0 "[ . 1 . 2 .]" 1
526 1 28 ASN HB3 1 31 GLY H 3.170 . 4.540 4.571 4.544 4.600 0.060 6 0 "[ . 1 . 2 .]" 1
527 1 28 ASN HB3 1 32 HIS H 3.555 . 5.310 4.754 4.575 4.911 . 0 0 "[ . 1 . 2 .]" 1
528 1 28 ASN HB3 1 34 VAL MG1 2.970 . 4.140 2.274 1.976 2.494 . 0 0 "[ . 1 . 2 .]" 1
529 1 28 ASN HB3 1 34 VAL MG2 2.895 . 3.990 2.403 2.031 2.549 . 0 0 "[ . 1 . 2 .]" 1
530 1 28 ASN QD 1 30 ASN H 3.930 . 6.060 3.070 2.932 3.167 . 0 0 "[ . 1 . 2 .]" 1
531 1 28 ASN QD 1 32 HIS H 3.030 . 4.260 2.931 2.791 3.082 . 0 0 "[ . 1 . 2 .]" 1
532 1 28 ASN QD 1 32 HIS QB 3.260 . 4.720 2.673 2.491 2.811 . 0 0 "[ . 1 . 2 .]" 1
533 1 28 ASN QD 1 34 VAL MG1 3.290 . 4.780 2.773 2.489 3.069 . 0 0 "[ . 1 . 2 .]" 1
534 1 28 ASN HD21 1 32 HIS H 3.355 . 4.910 4.343 4.204 4.513 . 0 0 "[ . 1 . 2 .]" 1
535 1 28 ASN HD21 1 32 HIS HB2 4.000 . 6.200 4.756 4.306 5.430 . 0 0 "[ . 1 . 2 .]" 1
536 1 28 ASN HD21 1 32 HIS HB3 4.000 . 6.200 4.396 3.900 4.784 . 0 0 "[ . 1 . 2 .]" 1
537 1 28 ASN HD21 1 34 VAL MG1 3.465 . 5.130 2.915 2.604 3.273 . 0 0 "[ . 1 . 2 .]" 1
538 1 28 ASN HD22 1 32 HIS H 3.355 . 4.910 2.980 2.832 3.137 . 0 0 "[ . 1 . 2 .]" 1
539 1 28 ASN HD22 1 32 HIS HB2 4.000 . 6.200 3.144 2.719 3.802 . 0 0 "[ . 1 . 2 .]" 1
540 1 28 ASN HD22 1 32 HIS HB3 4.000 . 6.200 3.186 2.560 3.656 . 0 0 "[ . 1 . 2 .]" 1
541 1 28 ASN HD22 1 34 VAL MG1 3.465 . 5.130 3.476 3.165 3.740 . 0 0 "[ . 1 . 2 .]" 1
542 1 28 ASN OD1 1 32 HIS H 1.875 . 2.050 1.946 1.803 2.067 0.017 3 0 "[ . 1 . 2 .]" 1
543 1 28 ASN OD1 1 32 HIS N 2.875 2.700 3.050 2.686 2.673 2.695 0.027 3 0 "[ . 1 . 2 .]" 1
544 1 29 GLU H 1 29 GLU HB2 2.660 . 3.520 2.644 2.069 3.579 0.059 21 0 "[ . 1 . 2 .]" 1
545 1 29 GLU H 1 29 GLU QB 2.535 . 3.270 2.330 2.045 2.651 . 0 0 "[ . 1 . 2 .]" 1
546 1 29 GLU H 1 29 GLU HB3 2.660 . 3.520 3.241 2.473 3.574 0.054 15 0 "[ . 1 . 2 .]" 1
547 1 29 GLU H 1 29 GLU HG2 2.890 . 3.980 2.926 1.998 3.982 0.002 14 0 "[ . 1 . 2 .]" 1
548 1 29 GLU H 1 29 GLU HG3 2.890 . 3.980 3.202 2.440 3.991 0.011 10 0 "[ . 1 . 2 .]" 1
549 1 29 GLU H 1 30 ASN H 2.595 . 3.390 2.625 2.526 2.738 . 0 0 "[ . 1 . 2 .]" 1
550 1 29 GLU HA 1 29 GLU HG2 2.875 . 3.950 2.812 2.029 3.844 . 0 0 "[ . 1 . 2 .]" 1
551 1 29 GLU HA 1 29 GLU HG3 2.875 . 3.950 3.431 2.574 3.890 . 0 0 "[ . 1 . 2 .]" 1
552 1 29 GLU HA 1 30 ASN H 2.720 . 3.640 3.499 3.489 3.547 . 0 0 "[ . 1 . 2 .]" 1
553 1 29 GLU QG 1 30 ASN H 3.625 . 5.450 3.732 2.063 4.579 . 0 0 "[ . 1 . 2 .]" 1
554 1 30 ASN H 1 30 ASN HB2 2.395 . 2.990 2.402 2.264 2.653 . 0 0 "[ . 1 . 2 .]" 1
555 1 30 ASN H 1 30 ASN HB3 2.720 . 3.640 3.581 3.543 3.610 . 0 0 "[ . 1 . 2 .]" 1
556 1 30 ASN H 1 30 ASN QD 3.790 . 5.780 3.846 2.331 4.460 . 0 0 "[ . 1 . 2 .]" 1
557 1 30 ASN H 1 31 GLY H 2.270 . 2.740 2.480 2.386 2.582 . 0 0 "[ . 1 . 2 .]" 1
558 1 30 ASN H 1 32 HIS H 2.970 . 4.140 3.947 3.888 4.035 . 0 0 "[ . 1 . 2 .]" 1
559 1 30 ASN HA 1 32 HIS H 3.295 . 4.790 4.716 4.636 4.809 0.019 23 0 "[ . 1 . 2 .]" 1
560 1 30 ASN HB2 1 30 ASN QD 2.785 . 3.770 2.826 2.139 3.342 . 0 0 "[ . 1 . 2 .]" 1
561 1 30 ASN HB2 1 31 GLY H 3.000 . 4.200 2.943 2.897 3.010 . 0 0 "[ . 1 . 2 .]" 1
562 1 30 ASN HB2 1 32 HIS H 3.170 . 4.540 2.874 2.690 3.116 . 0 0 "[ . 1 . 2 .]" 1
563 1 31 GLY H 1 31 GLY HA2 2.380 . 2.960 2.408 2.390 2.434 . 0 0 "[ . 1 . 2 .]" 1
564 1 31 GLY H 1 31 GLY QA 2.220 . 2.640 2.305 2.291 2.326 . 0 0 "[ . 1 . 2 .]" 1
565 1 31 GLY H 1 31 GLY HA3 2.380 . 2.960 2.946 2.939 2.953 . 0 0 "[ . 1 . 2 .]" 1
566 1 31 GLY H 1 32 HIS H 2.270 . 2.740 2.269 2.196 2.333 . 0 0 "[ . 1 . 2 .]" 1
567 1 32 HIS H 1 32 HIS HB2 2.535 . 3.270 2.349 2.130 2.808 . 0 0 "[ . 1 . 2 .]" 1
568 1 32 HIS H 1 32 HIS QB 2.360 . 2.920 2.232 2.101 2.389 . 0 0 "[ . 1 . 2 .]" 1
569 1 32 HIS H 1 32 HIS HB3 2.535 . 3.270 2.983 2.493 3.278 0.008 25 0 "[ . 1 . 2 .]" 1
570 1 32 HIS H 1 33 THR H 3.200 . 4.600 4.585 4.552 4.612 0.012 15 0 "[ . 1 . 2 .]" 1
571 1 32 HIS HA 1 33 THR H 2.255 . 2.710 2.336 2.290 2.353 . 0 0 "[ . 1 . 2 .]" 1
572 1 32 HIS QB 1 33 THR H 3.040 . 4.280 3.125 2.862 3.410 . 0 0 "[ . 1 . 2 .]" 1
573 1 32 HIS HB2 1 33 THR H 3.140 . 4.480 4.099 3.887 4.215 . 0 0 "[ . 1 . 2 .]" 1
574 1 32 HIS HB3 1 33 THR H 3.140 . 4.480 3.262 2.919 3.756 . 0 0 "[ . 1 . 2 .]" 1
575 1 33 THR H 1 33 THR HB 2.350 . 2.900 2.546 2.529 2.582 . 0 0 "[ . 1 . 2 .]" 1
576 1 33 THR H 1 33 THR MG 3.155 . 4.510 3.761 3.758 3.764 . 0 0 "[ . 1 . 2 .]" 1
577 1 33 THR HA 1 33 THR MG 2.615 . 3.430 2.456 2.404 2.478 . 0 0 "[ . 1 . 2 .]" 1
578 1 33 THR HA 1 34 VAL H 2.130 . 2.460 2.159 2.133 2.212 . 0 0 "[ . 1 . 2 .]" 1
579 1 33 THR HA 1 34 VAL MG2 3.390 . 4.980 3.524 3.325 3.711 . 0 0 "[ . 1 . 2 .]" 1
580 1 33 THR HB 1 34 VAL H 3.075 . 4.350 4.081 3.932 4.167 . 0 0 "[ . 1 . 2 .]" 1
581 1 33 THR HB 1 35 TYR QE 4.715 . 7.630 5.386 4.835 5.776 . 0 0 "[ . 1 . 2 .]" 1
582 1 33 THR MG 1 34 VAL H 2.660 . 3.520 2.468 2.126 2.663 . 0 0 "[ . 1 . 2 .]" 1
583 1 33 THR MG 1 34 VAL HA 3.235 . 4.670 3.520 3.369 3.683 . 0 0 "[ . 1 . 2 .]" 1
584 1 33 THR MG 1 35 TYR QD 4.505 . 7.210 4.229 3.594 4.713 . 0 0 "[ . 1 . 2 .]" 1
585 1 33 THR MG 1 35 TYR QE 4.315 . 6.830 3.650 2.931 4.330 . 0 0 "[ . 1 . 2 .]" 1
586 1 34 VAL H 1 34 VAL HB 2.970 . 4.140 3.847 3.793 3.927 . 0 0 "[ . 1 . 2 .]" 1
587 1 34 VAL H 1 34 VAL MG1 2.955 . 4.110 3.160 3.017 3.283 . 0 0 "[ . 1 . 2 .]" 1
588 1 34 VAL H 1 34 VAL MG2 2.615 . 3.430 2.244 2.061 2.484 . 0 0 "[ . 1 . 2 .]" 1
589 1 34 VAL H 1 35 TYR H 3.170 . 4.540 4.405 4.374 4.424 . 0 0 "[ . 1 . 2 .]" 1
590 1 34 VAL HA 1 34 VAL MG1 2.720 . 3.640 2.248 2.133 2.379 . 0 0 "[ . 1 . 2 .]" 1
591 1 34 VAL HA 1 35 TYR H 2.130 . 2.460 2.507 2.489 2.524 0.064 12 0 "[ . 1 . 2 .]" 1
592 1 34 VAL HA 1 35 TYR HA 3.465 . 5.130 4.427 4.410 4.446 . 0 0 "[ . 1 . 2 .]" 1
593 1 34 VAL HA 1 35 TYR HB2 3.495 . 5.190 4.818 4.395 4.972 . 0 0 "[ . 1 . 2 .]" 1
594 1 34 VAL HA 1 35 TYR QD 4.365 . 6.930 3.694 2.815 4.238 . 0 0 "[ . 1 . 2 .]" 1
595 1 34 VAL HA 1 35 TYR QE 4.715 . 7.630 4.295 3.487 4.814 . 0 0 "[ . 1 . 2 .]" 1
596 1 34 VAL HB 1 35 TYR H 2.440 . 3.080 2.140 2.081 2.205 . 0 0 "[ . 1 . 2 .]" 1
597 1 34 VAL HB 1 36 TYR QD 4.380 . 6.960 3.207 2.974 3.382 . 0 0 "[ . 1 . 2 .]" 1
598 1 34 VAL MG1 1 35 TYR H 3.065 . 4.330 3.507 3.373 3.580 . 0 0 "[ . 1 . 2 .]" 1
599 1 34 VAL MG1 1 36 TYR QE 4.205 . 6.610 3.451 3.242 3.588 . 0 0 "[ . 1 . 2 .]" 1
600 1 34 VAL MG2 1 35 TYR H 3.185 . 4.570 3.300 3.222 3.437 . 0 0 "[ . 1 . 2 .]" 1
601 1 34 VAL MG2 1 36 TYR QE 3.740 . 5.680 2.201 1.955 2.827 . 0 0 "[ . 1 . 2 .]" 1
602 1 35 TYR H 1 35 TYR HB2 2.315 . 2.830 2.743 2.440 2.830 0.000 17 0 "[ . 1 . 2 .]" 1
603 1 35 TYR H 1 35 TYR HB3 2.800 . 3.800 3.786 3.637 3.828 0.028 17 0 "[ . 1 . 2 .]" 1
604 1 35 TYR H 1 35 TYR QE 4.715 . 7.630 4.659 4.178 5.081 . 0 0 "[ . 1 . 2 .]" 1
605 1 35 TYR H 1 36 TYR H 3.075 . 4.350 4.335 4.288 4.364 0.014 24 0 "[ . 1 . 2 .]" 1
606 1 35 TYR HA 1 36 TYR H 2.100 . 2.400 2.158 2.154 2.168 . 0 0 "[ . 1 . 2 .]" 1
607 1 35 TYR HA 1 36 TYR HA 3.495 . 5.190 4.397 4.394 4.401 . 0 0 "[ . 1 . 2 .]" 1
608 1 35 TYR HB2 1 36 TYR H 3.125 . 4.450 4.142 4.059 4.395 . 0 0 "[ . 1 . 2 .]" 1
609 1 35 TYR HB3 1 36 TYR H 2.610 . 3.420 3.387 3.332 3.430 0.010 5 0 "[ . 1 . 2 .]" 1
610 1 36 TYR H 1 36 TYR HB2 2.720 . 3.640 2.490 2.464 2.540 . 0 0 "[ . 1 . 2 .]" 1
611 1 36 TYR H 1 36 TYR QB 2.575 . 3.350 2.447 2.421 2.493 . 0 0 "[ . 1 . 2 .]" 1
612 1 36 TYR H 1 36 TYR HB3 2.720 . 3.640 3.589 3.561 3.629 . 0 0 "[ . 1 . 2 .]" 1
613 1 36 TYR H 1 37 CYS H 3.215 . 4.630 4.470 4.456 4.477 . 0 0 "[ . 1 . 2 .]" 1
614 1 36 TYR H 1 38 ARG QG 4.090 . 6.380 4.886 4.810 4.932 . 0 0 "[ . 1 . 2 .]" 1
615 1 36 TYR HA 1 37 CYS H 2.240 . 2.680 2.404 2.372 2.415 . 0 0 "[ . 1 . 2 .]" 1
616 1 36 TYR QB 1 37 CYS H 2.640 . 3.480 2.430 2.396 2.517 . 0 0 "[ . 1 . 2 .]" 1
617 1 36 TYR QB 1 38 ARG HD3 4.090 . 6.380 3.706 3.478 3.946 . 0 0 "[ . 1 . 2 .]" 1
618 1 36 TYR QB 1 38 ARG QG 3.690 . 5.580 3.421 3.347 3.482 . 0 0 "[ . 1 . 2 .]" 1
619 1 36 TYR HB2 1 37 CYS H 2.905 . 4.010 3.853 3.826 3.914 . 0 0 "[ . 1 . 2 .]" 1
620 1 36 TYR HB2 1 38 ARG HE 3.370 . 4.940 4.785 4.446 4.948 0.008 22 0 "[ . 1 . 2 .]" 1
621 1 36 TYR HB3 1 37 CYS H 2.905 . 4.010 2.456 2.421 2.548 . 0 0 "[ . 1 . 2 .]" 1
622 1 36 TYR HB3 1 38 ARG HE 3.370 . 4.940 4.731 4.407 4.939 . 0 0 "[ . 1 . 2 .]" 1
623 1 37 CYS H 1 37 CYS HB2 2.225 . 2.650 2.343 2.335 2.349 . 0 0 "[ . 1 . 2 .]" 1
624 1 37 CYS H 1 37 CYS HB3 2.735 . 3.670 3.592 3.587 3.596 . 0 0 "[ . 1 . 2 .]" 1
625 1 37 CYS H 1 38 ARG H 3.170 . 4.540 4.494 4.483 4.503 . 0 0 "[ . 1 . 2 .]" 1
626 1 37 CYS HA 1 38 ARG H 2.180 . 2.560 2.163 2.154 2.169 . 0 0 "[ . 1 . 2 .]" 1
627 1 37 CYS HA 1 38 ARG QB 4.090 . 6.380 4.356 4.328 4.382 . 0 0 "[ . 1 . 2 .]" 1
628 1 37 CYS HB2 1 38 ARG H 3.075 . 4.350 4.268 4.247 4.296 . 0 0 "[ . 1 . 2 .]" 1
629 1 37 CYS HB3 1 38 ARG H 2.720 . 3.640 3.195 3.160 3.242 . 0 0 "[ . 1 . 2 .]" 1
630 1 38 ARG H 1 38 ARG HD3 3.650 . 5.500 4.406 4.159 4.645 . 0 0 "[ . 1 . 2 .]" 1
631 1 38 ARG H 1 38 ARG QG 3.220 . 4.640 2.925 2.874 2.986 . 0 0 "[ . 1 . 2 .]" 1
632 1 38 ARG H 1 39 ALA H 3.015 . 4.230 4.273 4.262 4.281 0.051 25 0 "[ . 1 . 2 .]" 1
633 1 38 ARG H 1 39 ALA HA 3.295 . 4.790 4.805 4.793 4.815 0.025 4 0 "[ . 1 . 2 .]" 1
634 1 38 ARG HA 1 38 ARG HD2 2.315 . 2.830 2.706 2.557 2.832 0.002 25 0 "[ . 1 . 2 .]" 1
635 1 38 ARG HA 1 38 ARG HD3 2.315 . 2.830 2.605 2.506 2.711 . 0 0 "[ . 1 . 2 .]" 1
636 1 38 ARG HA 1 38 ARG QG 2.705 . 3.610 2.859 2.765 2.950 . 0 0 "[ . 1 . 2 .]" 1
637 1 38 ARG HA 1 39 ALA H 2.115 . 2.430 2.137 2.134 2.144 . 0 0 "[ . 1 . 2 .]" 1
638 1 38 ARG HA 1 39 ALA HA 3.245 . 4.690 4.353 4.347 4.365 . 0 0 "[ . 1 . 2 .]" 1
639 1 38 ARG QB 1 38 ARG HD2 2.665 . 3.530 2.182 2.110 2.264 . 0 0 "[ . 1 . 2 .]" 1
640 1 38 ARG QB 1 38 ARG HD3 2.720 . 3.640 3.144 3.122 3.170 . 0 0 "[ . 1 . 2 .]" 1
641 1 38 ARG QB 1 38 ARG HE 3.610 . 5.420 3.726 3.678 3.787 . 0 0 "[ . 1 . 2 .]" 1
642 1 38 ARG QB 1 39 ALA H 2.895 . 3.990 3.170 3.122 3.230 . 0 0 "[ . 1 . 2 .]" 1
643 1 38 ARG HD2 1 38 ARG HE 2.285 . 2.770 2.774 2.754 2.784 0.014 6 0 "[ . 1 . 2 .]" 1
644 1 38 ARG HD2 1 39 ALA H 2.875 . 3.950 3.966 3.959 3.972 0.022 16 0 "[ . 1 . 2 .]" 1
645 1 38 ARG HD3 1 38 ARG HE 2.380 . 2.960 2.819 2.807 2.837 . 0 0 "[ . 1 . 2 .]" 1
646 1 38 ARG HD3 1 39 ALA H 3.125 . 4.450 4.457 4.452 4.464 0.014 16 0 "[ . 1 . 2 .]" 1
647 1 38 ARG HE 1 38 ARG QG 2.590 . 3.380 2.126 2.107 2.150 . 0 0 "[ . 1 . 2 .]" 1
648 1 38 ARG QG 1 39 ALA H 4.090 . 6.380 4.618 4.555 4.686 . 0 0 "[ . 1 . 2 .]" 1
649 1 39 ALA H 1 39 ALA MB 2.615 . 3.430 2.159 2.087 2.244 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_