NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446016 |
2kl7   |
16386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kl7
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 776
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 192.094
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0399
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.282 0.062 15 0 "[ . 1 . 2]"
1 5 GLU 1.208 0.127 4 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 1.557 0.127 4 0 "[ . 1 . 2]"
1 8 THR 0.164 0.105 18 0 "[ . 1 . 2]"
1 9 ILE 0.039 0.039 2 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.039 0.039 2 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.946 0.117 13 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.085 0.054 7 0 "[ . 1 . 2]"
1 17 MET 2.003 0.138 20 0 "[ . 1 . 2]"
1 18 LYS 1.190 0.117 13 0 "[ . 1 . 2]"
1 19 CYS 0.060 0.038 7 0 "[ . 1 . 2]"
1 20 ILE 0.324 0.043 9 0 "[ . 1 . 2]"
1 21 ASN 0.053 0.034 17 0 "[ . 1 . 2]"
1 23 TYR 1.100 0.155 12 0 "[ . 1 . 2]"
1 24 GLY 0.043 0.034 17 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.222 0.033 5 0 "[ . 1 . 2]"
1 27 LEU 0.060 0.038 7 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.348 0.070 7 0 "[ . 1 . 2]"
1 30 PRO 0.049 0.032 5 0 "[ . 1 . 2]"
1 31 ARG 0.155 0.054 7 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.060 0.060 7 0 "[ . 1 . 2]"
1 34 ALA 0.072 0.046 14 0 "[ . 1 . 2]"
1 35 VAL 0.174 0.069 9 0 "[ . 1 . 2]"
1 36 ILE 0.843 0.126 14 0 "[ . 1 . 2]"
1 37 ASN 0.476 0.099 8 0 "[ . 1 . 2]"
1 38 ASP 0.168 0.047 2 0 "[ . 1 . 2]"
1 39 LEU 1.048 0.124 16 0 "[ . 1 . 2]"
1 40 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.027 0.017 10 0 "[ . 1 . 2]"
1 53 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.457 0.126 14 0 "[ . 1 . 2]"
1 55 ASN 0.342 0.083 20 0 "[ . 1 . 2]"
1 56 PRO 0.060 0.060 7 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TYR 0.018 0.010 13 0 "[ . 1 . 2]"
1 62 GLU 0.365 0.064 11 0 "[ . 1 . 2]"
1 63 PRO 0.203 0.083 20 0 "[ . 1 . 2]"
1 64 ASP 1.861 0.138 20 0 "[ . 1 . 2]"
1 65 ASP 0.007 0.007 7 0 "[ . 1 . 2]"
1 66 GLN 0.287 0.224 18 0 "[ . 1 . 2]"
1 67 ASP 0.100 0.059 1 0 "[ . 1 . 2]"
1 68 SER 0.415 0.224 18 0 "[ . 1 . 2]"
1 69 CYS 0.071 0.059 1 0 "[ . 1 . 2]"
1 70 VAL 0.012 0.012 20 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 VAL QG 5.130 . 5.900 4.097 3.112 4.959 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP QB 1 3 VAL H 4.290 . 4.930 2.668 1.813 4.058 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP QB 1 3 VAL HB 4.830 . 5.550 4.605 3.741 5.483 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP QB 1 3 VAL QG 5.040 . 5.800 3.504 2.376 4.524 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL HB 3.560 . 4.090 3.054 2.518 3.864 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL H 1 3 VAL MG1 4.130 . 4.750 2.639 1.917 4.018 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 3 VAL QG 3.240 . 3.730 2.141 1.887 2.605 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL H 1 3 VAL MG2 4.130 . 4.750 3.227 1.977 4.002 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HA 1 4 ASN H 3.210 . 3.690 2.401 2.132 3.494 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL HB 1 4 ASN H 4.470 . 5.140 4.080 2.681 4.560 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL QG 1 4 ASN H 4.340 . 4.990 2.809 2.110 3.534 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL MG1 1 4 ASN H 4.970 . 5.720 3.599 2.224 4.277 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL MG2 1 4 ASN H 4.970 . 5.720 3.345 2.124 4.360 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASN H 1 4 ASN QB 3.420 . 3.930 2.678 2.319 3.136 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASN H 1 5 GLU HA 5.120 . 5.890 4.947 4.480 5.419 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASN H 1 5 GLU HG2 5.500 . 6.330 5.851 4.868 6.348 0.018 3 0 "[ . 1 . 2]" 1
17 1 4 ASN HA 1 5 GLU H 3.080 . 3.540 2.297 2.125 2.585 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN HA 1 5 GLU HG3 4.400 . 5.060 3.680 3.255 4.045 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASN HA 1 7 LEU QD 4.520 . 5.200 3.993 2.654 5.189 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASN QB 1 5 GLU HG2 5.340 . 6.140 5.844 5.091 6.194 0.054 4 0 "[ . 1 . 2]" 1
21 1 4 ASN QB 1 7 LEU QD 4.020 . 4.620 3.865 3.127 4.682 0.062 15 0 "[ . 1 . 2]" 1
22 1 4 ASN HB2 1 5 GLU H 4.100 . 4.720 3.885 3.041 4.524 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASN HB3 1 5 GLU H 4.100 . 4.720 3.458 2.114 4.361 . 0 0 "[ . 1 . 2]" 1
24 1 4 ASN QD 1 7 LEU QD 4.270 . 4.910 3.799 1.889 4.971 0.061 13 0 "[ . 1 . 2]" 1
25 1 5 GLU H 1 5 GLU HB2 3.350 . 3.850 2.582 2.398 2.798 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU H 1 5 GLU HB3 3.860 . 4.440 3.668 3.588 3.853 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLU H 1 5 GLU HG2 4.120 . 4.740 3.503 3.194 3.930 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLU H 1 5 GLU HG3 4.330 . 4.980 2.389 2.061 2.917 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLU H 1 7 LEU QD 4.880 . 5.610 2.659 1.818 3.447 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLU HA 1 5 GLU HG2 3.660 . 4.210 2.605 2.505 2.755 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU HA 1 5 GLU HG3 3.800 . 4.370 3.202 2.985 3.325 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLU HA 1 6 CYS H 3.170 . 3.650 2.642 2.378 2.902 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLU HA 1 7 LEU QD 4.870 . 5.600 3.992 3.626 4.596 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLU HB2 1 6 CYS H 4.470 . 5.140 3.224 2.605 4.499 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU HB2 1 7 LEU H 4.420 . 5.080 2.929 2.544 3.700 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLU HB2 1 7 LEU HB2 4.920 . 5.660 5.209 4.669 5.757 0.097 4 0 "[ . 1 . 2]" 1
37 1 5 GLU HB2 1 7 LEU HB3 4.770 . 5.490 3.850 3.033 4.464 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLU HB2 1 7 LEU QD 4.510 . 5.190 1.942 1.701 2.504 0.099 10 0 "[ . 1 . 2]" 1
39 1 5 GLU HB2 1 7 LEU HG 5.300 . 6.100 4.165 2.053 5.073 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLU HB3 1 5 GLU HG2 2.860 . 3.290 2.464 2.413 2.511 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLU HB3 1 5 GLU HG3 2.990 . 3.440 3.014 3.010 3.018 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLU HB3 1 6 CYS H 4.190 . 4.820 2.309 1.827 4.464 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLU HB3 1 7 LEU HB3 4.540 . 5.220 4.706 3.912 5.347 0.127 4 0 "[ . 1 . 2]" 1
44 1 5 GLU HB3 1 7 LEU MD1 5.490 . 6.310 4.977 4.172 5.258 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLU HB3 1 7 LEU QD 4.250 . 4.890 3.225 2.751 3.709 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU HB3 1 7 LEU MD2 5.490 . 6.310 3.275 2.769 3.825 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLU HG2 1 6 CYS H 4.840 . 5.570 4.244 4.013 5.122 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLU HG2 1 7 LEU QD 4.720 . 5.430 4.227 3.942 4.486 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLU HG3 1 6 CYS H 5.340 . 6.140 4.779 4.580 5.138 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLU HG3 1 7 LEU MD1 4.660 . 5.360 4.891 4.211 5.389 0.029 5 0 "[ . 1 . 2]" 1
51 1 5 GLU HG3 1 7 LEU QD 4.080 . 4.690 3.330 2.984 3.754 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLU HG3 1 7 LEU MD2 4.660 . 5.360 3.398 3.015 3.979 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU HG3 1 7 LEU HG 5.500 . 6.330 5.901 4.021 6.412 0.082 10 0 "[ . 1 . 2]" 1
54 1 6 CYS H 1 6 CYS HB2 3.770 . 4.340 2.672 2.311 3.672 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS H 1 6 CYS QB 3.210 . 3.690 2.483 2.272 3.432 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS H 1 6 CYS HB3 3.770 . 4.340 3.261 2.517 4.127 . 0 0 "[ . 1 . 2]" 1
57 1 6 CYS H 1 7 LEU H 4.410 . 5.070 2.937 2.552 3.604 . 0 0 "[ . 1 . 2]" 1
58 1 6 CYS H 1 7 LEU QD 4.310 . 4.960 3.732 3.196 4.602 . 0 0 "[ . 1 . 2]" 1
59 1 6 CYS HA 1 7 LEU H 3.510 . 4.040 3.193 2.496 3.539 . 0 0 "[ . 1 . 2]" 1
60 1 6 CYS HA 1 7 LEU QD 4.530 . 5.210 4.252 3.813 4.797 . 0 0 "[ . 1 . 2]" 1
61 1 6 CYS HA 1 8 THR H 4.750 . 5.460 3.277 2.972 3.606 . 0 0 "[ . 1 . 2]" 1
62 1 6 CYS QB 1 7 LEU H 3.710 . 4.270 3.497 2.709 4.040 . 0 0 "[ . 1 . 2]" 1
63 1 6 CYS QB 1 7 LEU HA 4.880 . 5.610 4.285 3.843 4.674 . 0 0 "[ . 1 . 2]" 1
64 1 6 CYS QB 1 7 LEU HB3 5.340 . 6.140 4.819 3.901 5.692 . 0 0 "[ . 1 . 2]" 1
65 1 6 CYS QB 1 7 LEU QD 5.280 . 6.070 4.463 3.797 5.156 . 0 0 "[ . 1 . 2]" 1
66 1 6 CYS QB 1 8 THR MG 5.290 . 6.080 4.509 3.656 5.083 . 0 0 "[ . 1 . 2]" 1
67 1 6 CYS HB2 1 7 LEU H 4.360 . 5.010 3.929 2.773 4.640 . 0 0 "[ . 1 . 2]" 1
68 1 6 CYS HB3 1 7 LEU H 4.360 . 5.010 4.110 3.121 4.611 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU H 1 7 LEU HB2 3.940 . 4.530 3.648 3.567 3.799 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU H 1 7 LEU HB3 3.170 . 3.650 2.634 2.360 3.417 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU H 1 7 LEU MD1 4.750 . 5.460 3.658 2.367 4.041 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU H 1 7 LEU QD 3.740 . 4.300 1.984 1.773 2.824 0.027 13 0 "[ . 1 . 2]" 1
73 1 7 LEU H 1 7 LEU MD2 4.750 . 5.460 2.178 1.775 3.890 0.025 13 0 "[ . 1 . 2]" 1
74 1 7 LEU H 1 7 LEU HG 4.170 . 4.800 3.264 1.793 3.762 0.007 12 0 "[ . 1 . 2]" 1
75 1 7 LEU H 1 8 THR H 3.850 . 4.430 2.695 2.313 3.698 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU H 1 8 THR MG 4.810 . 5.530 4.064 3.536 5.220 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU HA 1 7 LEU MD1 4.280 . 4.920 4.031 3.609 4.141 . 0 0 "[ . 1 . 2]" 1
78 1 7 LEU HA 1 7 LEU QD 3.520 . 4.050 3.374 3.344 3.417 . 0 0 "[ . 1 . 2]" 1
79 1 7 LEU HA 1 7 LEU MD2 4.280 . 4.920 3.675 3.531 4.112 . 0 0 "[ . 1 . 2]" 1
80 1 7 LEU HB2 1 7 LEU MD1 3.250 . 3.740 2.323 2.274 2.379 . 0 0 "[ . 1 . 2]" 1
81 1 7 LEU HB2 1 7 LEU QD 2.800 . 3.220 2.243 2.140 2.302 . 0 0 "[ . 1 . 2]" 1
82 1 7 LEU HB2 1 7 LEU MD2 3.250 . 3.740 3.074 2.448 3.230 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU HB2 1 8 THR H 4.610 . 5.300 4.414 4.053 4.569 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU HB3 1 7 LEU MD1 3.290 . 3.780 2.579 2.367 3.227 . 0 0 "[ . 1 . 2]" 1
85 1 7 LEU HB3 1 7 LEU QD 2.850 . 3.280 2.159 2.132 2.240 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU HB3 1 7 LEU MD2 3.290 . 3.780 2.367 2.249 2.448 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU HB3 1 8 THR H 4.770 . 5.490 4.395 4.133 4.640 . 0 0 "[ . 1 . 2]" 1
88 1 7 LEU HB3 1 8 THR MG 5.500 . 6.330 5.824 5.507 6.005 . 0 0 "[ . 1 . 2]" 1
89 1 7 LEU QD 1 8 THR H 4.170 . 4.800 2.824 2.192 4.112 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU QD 1 8 THR HA 4.280 . 4.920 3.539 2.721 4.108 . 0 0 "[ . 1 . 2]" 1
91 1 7 LEU QD 1 8 THR HB 4.620 . 5.310 3.651 2.821 5.325 0.015 11 0 "[ . 1 . 2]" 1
92 1 7 LEU HG 1 8 THR H 5.160 . 5.930 3.839 3.219 4.659 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU HG 1 8 THR HA 4.920 . 5.660 3.971 3.207 5.481 . 0 0 "[ . 1 . 2]" 1
94 1 8 THR H 1 8 THR MG 3.600 . 4.140 2.005 1.926 2.146 . 0 0 "[ . 1 . 2]" 1
95 1 8 THR H 1 9 ILE H 4.770 . 5.490 4.579 4.449 4.655 . 0 0 "[ . 1 . 2]" 1
96 1 8 THR HA 1 8 THR MG 3.400 . 3.910 3.223 3.214 3.228 . 0 0 "[ . 1 . 2]" 1
97 1 8 THR HA 1 9 ILE H 3.070 . 3.530 2.438 2.122 2.659 . 0 0 "[ . 1 . 2]" 1
98 1 8 THR HA 1 9 ILE HB 5.170 . 5.950 4.848 4.528 5.169 . 0 0 "[ . 1 . 2]" 1
99 1 8 THR HA 1 9 ILE MD 4.710 . 5.420 4.200 3.944 4.561 . 0 0 "[ . 1 . 2]" 1
100 1 8 THR HA 1 9 ILE HG12 4.870 . 5.600 3.717 3.511 3.934 . 0 0 "[ . 1 . 2]" 1
101 1 8 THR HB 1 9 ILE H 3.840 . 4.420 3.737 3.526 4.276 . 0 0 "[ . 1 . 2]" 1
102 1 8 THR MG 1 9 ILE H 3.950 . 4.540 3.369 3.014 4.195 . 0 0 "[ . 1 . 2]" 1
103 1 8 THR MG 1 10 PRO HA 5.240 . 6.030 4.193 3.904 4.550 . 0 0 "[ . 1 . 2]" 1
104 1 8 THR MG 1 10 PRO HB3 5.500 . 6.330 5.657 4.826 6.329 . 0 0 "[ . 1 . 2]" 1
105 1 8 THR MG 1 10 PRO HD3 5.160 . 5.930 4.618 4.143 4.991 . 0 0 "[ . 1 . 2]" 1
106 1 8 THR MG 1 68 SER QB 5.340 . 6.140 4.983 2.877 6.245 0.105 18 0 "[ . 1 . 2]" 1
107 1 9 ILE H 1 9 ILE HB 3.340 . 3.840 2.489 2.439 2.537 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE H 1 9 ILE MD 4.390 . 5.050 3.361 3.202 3.561 . 0 0 "[ . 1 . 2]" 1
109 1 9 ILE H 1 9 ILE HG12 3.640 . 4.190 2.330 2.157 2.538 . 0 0 "[ . 1 . 2]" 1
110 1 9 ILE H 1 9 ILE HG13 4.020 . 4.620 3.746 3.629 3.868 . 0 0 "[ . 1 . 2]" 1
111 1 9 ILE H 1 9 ILE MG 3.890 . 4.470 3.785 3.762 3.808 . 0 0 "[ . 1 . 2]" 1
112 1 9 ILE H 1 10 PRO HD2 4.870 . 5.600 5.139 4.841 5.441 . 0 0 "[ . 1 . 2]" 1
113 1 9 ILE H 1 10 PRO HD3 5.050 . 5.810 4.749 4.470 5.057 . 0 0 "[ . 1 . 2]" 1
114 1 9 ILE HA 1 9 ILE HG12 4.170 . 4.800 3.089 3.018 3.130 . 0 0 "[ . 1 . 2]" 1
115 1 9 ILE HA 1 9 ILE MG 3.390 . 3.900 2.439 2.404 2.479 . 0 0 "[ . 1 . 2]" 1
116 1 9 ILE HA 1 10 PRO HD2 3.030 . 3.480 2.465 2.076 2.793 . 0 0 "[ . 1 . 2]" 1
117 1 9 ILE HA 1 10 PRO HD3 2.750 . 3.160 2.145 1.808 2.525 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE HB 1 9 ILE MD 3.330 . 3.830 3.245 3.239 3.249 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE HB 1 10 PRO HD2 4.230 . 4.860 4.345 4.107 4.662 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE HB 1 10 PRO HD3 4.970 . 5.720 4.828 4.566 5.133 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE MD 1 10 PRO HD2 4.630 . 5.320 3.243 2.819 3.631 . 0 0 "[ . 1 . 2]" 1
122 1 9 ILE HG12 1 9 ILE MG 3.390 . 3.900 3.217 3.210 3.223 . 0 0 "[ . 1 . 2]" 1
123 1 9 ILE HG13 1 9 ILE MG 3.320 . 3.820 2.359 2.334 2.380 . 0 0 "[ . 1 . 2]" 1
124 1 9 ILE HG13 1 11 GLU QG 5.340 . 6.140 4.893 4.235 6.179 0.039 2 0 "[ . 1 . 2]" 1
125 1 9 ILE MG 1 10 PRO HA 4.700 . 5.400 4.188 4.072 4.442 . 0 0 "[ . 1 . 2]" 1
126 1 9 ILE MG 1 10 PRO HD2 3.620 . 4.160 2.132 1.849 2.439 . 0 0 "[ . 1 . 2]" 1
127 1 9 ILE MG 1 10 PRO HD3 3.720 . 4.280 3.233 2.915 3.616 . 0 0 "[ . 1 . 2]" 1
128 1 9 ILE MG 1 11 GLU H 4.340 . 4.990 3.708 2.466 4.939 . 0 0 "[ . 1 . 2]" 1
129 1 9 ILE MG 1 11 GLU HA 4.790 . 5.510 3.853 3.201 4.666 . 0 0 "[ . 1 . 2]" 1
130 1 9 ILE MG 1 11 GLU HG2 5.210 . 5.990 3.424 2.619 4.829 . 0 0 "[ . 1 . 2]" 1
131 1 9 ILE MG 1 11 GLU QG 4.440 . 5.110 2.875 1.830 4.307 . 0 0 "[ . 1 . 2]" 1
132 1 9 ILE MG 1 11 GLU HG3 5.210 . 5.990 3.166 1.845 4.841 . 0 0 "[ . 1 . 2]" 1
133 1 10 PRO HA 1 11 GLU H 3.060 . 3.520 2.447 2.204 2.917 . 0 0 "[ . 1 . 2]" 1
134 1 10 PRO HA 1 11 GLU HA 4.550 . 5.230 4.554 4.473 4.650 . 0 0 "[ . 1 . 2]" 1
135 1 10 PRO HA 1 12 ALA MB 5.500 . 6.330 4.327 3.947 4.923 . 0 0 "[ . 1 . 2]" 1
136 1 10 PRO HB3 1 12 ALA MB 5.500 . 6.330 5.118 4.165 5.953 . 0 0 "[ . 1 . 2]" 1
137 1 10 PRO HD2 1 11 GLU H 5.250 . 6.040 4.921 4.107 5.488 . 0 0 "[ . 1 . 2]" 1
138 1 10 PRO HD3 1 11 GLU H 5.440 . 6.260 5.094 4.691 5.387 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLU H 1 11 GLU HB2 3.070 . 3.530 2.473 2.372 2.598 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLU H 1 11 GLU QG 3.520 . 4.050 2.423 2.099 2.708 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLU H 1 12 ALA H 4.680 . 5.380 2.551 2.408 2.677 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLU HA 1 11 GLU HG2 3.960 . 4.550 2.547 2.384 2.712 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLU HA 1 11 GLU QG 3.340 . 3.840 2.438 2.309 2.560 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLU HA 1 11 GLU HG3 3.960 . 4.550 3.119 3.010 3.235 . 0 0 "[ . 1 . 2]" 1
145 1 11 GLU HA 1 12 ALA MB 5.070 . 5.830 4.859 4.659 4.990 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLU HB2 1 12 ALA H 4.330 . 4.980 3.453 2.710 3.746 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLU HB2 1 12 ALA HA 4.820 . 5.540 4.655 4.213 5.079 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLU HB2 1 12 ALA MB 4.640 . 5.340 4.114 3.518 4.569 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLU HB3 1 12 ALA HA 5.280 . 6.070 4.685 4.348 4.958 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLU QG 1 12 ALA H 4.720 . 5.430 4.335 3.933 4.501 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA H 1 13 CYS H 4.970 . 5.720 4.531 4.427 4.609 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA HA 1 13 CYS H 3.540 . 4.070 2.458 2.311 2.532 . 0 0 "[ . 1 . 2]" 1
153 1 12 ALA HA 1 13 CYS HA 4.380 . 5.040 4.394 4.360 4.428 . 0 0 "[ . 1 . 2]" 1
154 1 12 ALA MB 1 13 CYS H 3.770 . 4.340 2.312 2.174 2.608 . 0 0 "[ . 1 . 2]" 1
155 1 12 ALA MB 1 13 CYS HA 4.340 . 4.990 4.182 4.127 4.263 . 0 0 "[ . 1 . 2]" 1
156 1 12 ALA MB 1 13 CYS HB2 4.500 . 5.180 4.371 4.203 4.664 . 0 0 "[ . 1 . 2]" 1
157 1 12 ALA MB 1 14 LYS H 5.030 . 5.780 5.158 5.067 5.280 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA MB 1 14 LYS HA 5.500 . 6.330 4.893 4.607 5.231 . 0 0 "[ . 1 . 2]" 1
159 1 12 ALA MB 1 18 LYS HB2 4.250 . 4.890 2.508 2.061 3.331 . 0 0 "[ . 1 . 2]" 1
160 1 12 ALA MB 1 18 LYS HD2 4.290 . 4.930 2.294 1.827 3.133 . 0 0 "[ . 1 . 2]" 1
161 1 12 ALA MB 1 18 LYS QD 3.690 . 4.240 2.217 1.805 3.003 . 0 0 "[ . 1 . 2]" 1
162 1 12 ALA MB 1 18 LYS HD3 4.290 . 4.930 3.044 2.694 3.854 . 0 0 "[ . 1 . 2]" 1
163 1 12 ALA MB 1 18 LYS QE 4.850 . 5.580 4.007 3.542 4.719 . 0 0 "[ . 1 . 2]" 1
164 1 12 ALA MB 1 26 TYR QE 4.440 . 5.110 3.979 3.150 4.860 . 0 0 "[ . 1 . 2]" 1
165 1 12 ALA MB 1 64 ASP HB3 4.780 . 5.500 4.715 4.141 5.194 . 0 0 "[ . 1 . 2]" 1
166 1 12 ALA MB 1 66 GLN HE21 4.830 . 5.550 3.331 2.169 4.703 . 0 0 "[ . 1 . 2]" 1
167 1 12 ALA MB 1 66 GLN HE22 3.990 . 4.590 2.975 1.907 4.359 . 0 0 "[ . 1 . 2]" 1
168 1 12 ALA MB 1 66 GLN HG3 4.890 . 5.620 4.249 2.994 5.048 . 0 0 "[ . 1 . 2]" 1
169 1 13 CYS H 1 13 CYS HB3 4.180 . 4.810 3.652 3.600 3.685 . 0 0 "[ . 1 . 2]" 1
170 1 13 CYS H 1 14 LYS H 4.690 . 5.390 4.539 4.514 4.561 . 0 0 "[ . 1 . 2]" 1
171 1 13 CYS HA 1 14 LYS H 3.390 . 3.900 2.214 2.165 2.250 . 0 0 "[ . 1 . 2]" 1
172 1 13 CYS HA 1 14 LYS HA 4.480 . 5.150 4.345 4.268 4.432 . 0 0 "[ . 1 . 2]" 1
173 1 13 CYS HA 1 16 GLU H 5.150 . 5.920 5.072 4.765 5.198 . 0 0 "[ . 1 . 2]" 1
174 1 13 CYS HB2 1 14 LYS H 4.580 . 5.270 4.153 4.081 4.225 . 0 0 "[ . 1 . 2]" 1
175 1 13 CYS HB2 1 16 GLU H 4.260 . 4.900 3.898 3.378 4.107 . 0 0 "[ . 1 . 2]" 1
176 1 13 CYS HB2 1 16 GLU HB2 4.290 . 4.930 2.258 1.921 3.195 . 0 0 "[ . 1 . 2]" 1
177 1 13 CYS HB2 1 16 GLU HB3 4.870 . 5.600 3.491 3.070 4.316 . 0 0 "[ . 1 . 2]" 1
178 1 13 CYS HB2 1 16 GLU HG2 5.500 . 6.330 5.215 4.862 6.189 . 0 0 "[ . 1 . 2]" 1
179 1 13 CYS HB2 1 16 GLU HG3 4.940 . 5.680 4.494 4.042 5.530 . 0 0 "[ . 1 . 2]" 1
180 1 13 CYS HB2 1 18 LYS HA 4.710 . 5.420 4.681 4.194 4.900 . 0 0 "[ . 1 . 2]" 1
181 1 13 CYS HB2 1 18 LYS HB2 4.830 . 5.550 4.677 3.772 4.890 . 0 0 "[ . 1 . 2]" 1
182 1 13 CYS HB2 1 18 LYS HB3 5.500 . 6.330 6.221 5.431 6.358 0.028 13 0 "[ . 1 . 2]" 1
183 1 13 CYS HB3 1 14 LYS H 4.820 . 5.540 3.098 2.913 3.272 . 0 0 "[ . 1 . 2]" 1
184 1 13 CYS HB3 1 16 GLU H 4.440 . 5.110 3.936 3.273 4.297 . 0 0 "[ . 1 . 2]" 1
185 1 13 CYS HB3 1 16 GLU HA 5.100 . 5.870 5.344 4.955 5.688 . 0 0 "[ . 1 . 2]" 1
186 1 13 CYS HB3 1 16 GLU HB2 4.530 . 5.210 2.416 2.082 2.798 . 0 0 "[ . 1 . 2]" 1
187 1 13 CYS HB3 1 16 GLU HG2 4.960 . 5.700 4.914 4.473 5.641 . 0 0 "[ . 1 . 2]" 1
188 1 13 CYS HB3 1 18 LYS HB2 5.500 . 6.330 6.308 5.500 6.447 0.117 13 0 "[ . 1 . 2]" 1
189 1 14 LYS H 1 14 LYS HB2 3.160 . 3.630 2.607 2.493 2.717 . 0 0 "[ . 1 . 2]" 1
190 1 14 LYS H 1 14 LYS HB3 3.400 . 3.910 2.500 2.380 2.571 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS H 1 14 LYS HG2 4.870 . 5.600 4.458 4.372 4.509 . 0 0 "[ . 1 . 2]" 1
192 1 14 LYS H 1 14 LYS QG 4.170 . 4.800 3.993 3.967 4.014 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS H 1 14 LYS HG3 4.870 . 5.600 4.508 4.446 4.571 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS H 1 15 GLY H 4.890 . 5.620 4.535 4.484 4.602 . 0 0 "[ . 1 . 2]" 1
195 1 14 LYS HA 1 14 LYS QD 4.130 . 4.750 3.994 3.921 4.073 . 0 0 "[ . 1 . 2]" 1
196 1 14 LYS HA 1 14 LYS HG2 3.690 . 4.240 3.174 3.089 3.243 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS HA 1 14 LYS HG3 3.690 . 4.240 2.560 2.468 2.696 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS HA 1 15 GLY H 3.460 . 3.980 2.171 2.144 2.202 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS HA 1 15 GLY HA3 4.510 . 5.190 4.443 4.423 4.478 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS HA 1 16 GLU H 4.120 . 4.740 3.450 3.207 3.889 . 0 0 "[ . 1 . 2]" 1
201 1 14 LYS HB2 1 14 LYS QD 3.470 . 3.990 2.373 2.290 2.476 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS HB2 1 14 LYS HE2 5.210 . 5.990 4.662 4.650 4.688 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS HB2 1 14 LYS HE3 5.210 . 5.990 4.313 4.237 4.425 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS HB2 1 15 GLY H 4.580 . 5.270 4.292 4.144 4.384 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS HB3 1 15 GLY H 4.850 . 5.580 4.250 4.120 4.370 . 0 0 "[ . 1 . 2]" 1
206 1 14 LYS HB3 1 15 GLY HA2 5.500 . 6.330 5.720 5.631 5.868 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS HB3 1 15 GLY HA3 4.840 . 5.570 4.800 4.720 4.916 . 0 0 "[ . 1 . 2]" 1
208 1 14 LYS HB3 1 16 GLU H 5.220 . 6.000 5.060 4.654 5.185 . 0 0 "[ . 1 . 2]" 1
209 1 14 LYS QE 1 14 LYS QG 3.010 . 3.460 2.155 2.137 2.172 . 0 0 "[ . 1 . 2]" 1
210 1 14 LYS QG 1 15 GLY H 4.690 . 5.390 2.889 2.571 3.055 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS QG 1 15 GLY HA2 4.730 . 5.440 4.007 3.794 4.200 . 0 0 "[ . 1 . 2]" 1
212 1 14 LYS QG 1 15 GLY HA3 4.900 . 5.640 3.555 3.307 3.797 . 0 0 "[ . 1 . 2]" 1
213 1 14 LYS QG 1 16 GLU H 4.960 . 5.700 4.647 4.461 4.808 . 0 0 "[ . 1 . 2]" 1
214 1 14 LYS HG2 1 15 GLY H 5.450 . 6.270 3.277 2.995 3.458 . 0 0 "[ . 1 . 2]" 1
215 1 14 LYS HG2 1 15 GLY HA2 5.500 . 6.330 4.271 4.012 4.501 . 0 0 "[ . 1 . 2]" 1
216 1 14 LYS HG3 1 15 GLY H 5.450 . 6.270 3.216 2.785 3.436 . 0 0 "[ . 1 . 2]" 1
217 1 14 LYS HG3 1 15 GLY HA2 5.500 . 6.330 4.855 4.535 5.132 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLY H 1 16 GLU H 3.780 . 4.350 2.631 2.441 3.147 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLY H 1 16 GLU HG3 5.370 . 6.180 4.972 4.701 5.193 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLY HA2 1 16 GLU HG3 4.850 . 5.580 4.723 4.550 5.071 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLU H 1 16 GLU HB2 3.510 . 4.040 2.722 2.541 2.807 . 0 0 "[ . 1 . 2]" 1
222 1 16 GLU H 1 16 GLU HB3 3.990 . 4.590 3.821 3.637 3.880 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLU H 1 16 GLU HG2 3.900 . 4.490 4.035 3.493 4.240 . 0 0 "[ . 1 . 2]" 1
224 1 16 GLU H 1 16 GLU HG3 3.800 . 4.370 3.009 2.282 3.336 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLU H 1 17 MET H 4.740 . 5.450 4.474 4.442 4.615 . 0 0 "[ . 1 . 2]" 1
226 1 16 GLU HA 1 16 GLU HG2 3.470 . 3.990 2.582 2.479 2.685 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLU HA 1 16 GLU HG3 3.790 . 4.360 3.114 2.976 3.287 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLU HA 1 17 MET H 3.370 . 3.880 2.423 2.337 2.512 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLU HA 1 31 ARG HB3 4.480 . 5.150 4.202 3.450 4.832 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU HA 1 31 ARG QD 4.370 . 5.030 4.147 3.524 4.798 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU HA 1 31 ARG HG2 5.500 . 6.330 5.423 5.043 6.054 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLU HA 1 31 ARG HG3 4.400 . 5.060 4.318 3.787 4.901 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLU HB2 1 17 MET H 3.550 . 4.080 3.643 3.533 3.804 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLU HB2 1 28 CYS HB3 4.410 . 5.070 3.162 2.586 3.860 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLU HB3 1 17 MET H 3.290 . 3.780 2.512 2.352 2.819 . 0 0 "[ . 1 . 2]" 1
236 1 16 GLU HB3 1 28 CYS HB3 4.490 . 5.160 3.035 2.432 3.733 . 0 0 "[ . 1 . 2]" 1
237 1 16 GLU HB3 1 29 LEU H 4.330 . 4.980 3.756 2.884 4.200 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLU HG2 1 17 MET H 4.690 . 5.390 4.166 3.967 4.406 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLU HG2 1 30 PRO HA 3.620 . 4.160 2.879 2.008 3.768 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLU HG2 1 31 ARG H 4.200 . 4.830 3.409 2.460 4.165 . 0 0 "[ . 1 . 2]" 1
241 1 16 GLU HG2 1 31 ARG QD 5.340 . 6.140 5.527 4.479 6.194 0.054 7 0 "[ . 1 . 2]" 1
242 1 16 GLU HG3 1 17 MET H 5.500 . 6.330 4.926 4.834 5.068 . 0 0 "[ . 1 . 2]" 1
243 1 17 MET H 1 17 MET HB2 3.640 . 4.190 2.519 2.401 2.608 . 0 0 "[ . 1 . 2]" 1
244 1 17 MET H 1 17 MET HB3 3.760 . 4.320 3.660 3.626 3.680 . 0 0 "[ . 1 . 2]" 1
245 1 17 MET H 1 17 MET ME 4.270 . 4.910 3.689 3.435 4.661 . 0 0 "[ . 1 . 2]" 1
246 1 17 MET H 1 17 MET HG3 4.300 . 4.950 2.497 2.288 2.812 . 0 0 "[ . 1 . 2]" 1
247 1 17 MET H 1 28 CYS HB3 5.500 . 6.330 4.593 4.252 4.820 . 0 0 "[ . 1 . 2]" 1
248 1 17 MET H 1 29 LEU H 4.010 . 4.610 3.284 2.848 3.569 . 0 0 "[ . 1 . 2]" 1
249 1 17 MET H 1 29 LEU HB2 4.840 . 5.570 3.912 3.580 4.249 . 0 0 "[ . 1 . 2]" 1
250 1 17 MET HA 1 17 MET ME 4.340 . 4.990 4.323 3.969 4.405 . 0 0 "[ . 1 . 2]" 1
251 1 17 MET HA 1 17 MET HG2 3.570 . 4.110 2.556 2.440 2.628 . 0 0 "[ . 1 . 2]" 1
252 1 17 MET HA 1 18 LYS H 2.890 . 3.320 2.218 2.141 2.282 . 0 0 "[ . 1 . 2]" 1
253 1 17 MET HA 1 18 LYS HB2 4.670 . 5.370 4.488 4.322 4.610 . 0 0 "[ . 1 . 2]" 1
254 1 17 MET HA 1 29 LEU H 5.180 . 5.960 4.761 4.599 4.962 . 0 0 "[ . 1 . 2]" 1
255 1 17 MET HA 1 29 LEU HB2 5.260 . 6.050 5.490 5.162 5.727 . 0 0 "[ . 1 . 2]" 1
256 1 17 MET HB2 1 17 MET ME 3.300 . 3.800 2.007 1.911 2.719 . 0 0 "[ . 1 . 2]" 1
257 1 17 MET HB2 1 18 LYS H 4.020 . 4.620 3.933 3.723 4.055 . 0 0 "[ . 1 . 2]" 1
258 1 17 MET HB2 1 18 LYS HA 4.990 . 5.740 4.964 4.844 5.175 . 0 0 "[ . 1 . 2]" 1
259 1 17 MET HB2 1 29 LEU H 4.450 . 5.120 3.224 2.919 3.493 . 0 0 "[ . 1 . 2]" 1
260 1 17 MET HB2 1 29 LEU HB2 4.320 . 4.970 2.691 2.359 2.980 . 0 0 "[ . 1 . 2]" 1
261 1 17 MET HB2 1 29 LEU HB3 4.290 . 4.930 4.188 3.710 4.360 . 0 0 "[ . 1 . 2]" 1
262 1 17 MET HB2 1 29 LEU MD2 5.030 . 5.780 5.355 5.073 5.652 . 0 0 "[ . 1 . 2]" 1
263 1 17 MET HB2 1 31 ARG HA 4.510 . 5.190 4.573 3.880 5.117 . 0 0 "[ . 1 . 2]" 1
264 1 17 MET HB3 1 18 LYS H 3.630 . 4.170 2.899 2.626 3.145 . 0 0 "[ . 1 . 2]" 1
265 1 17 MET HB3 1 29 LEU H 4.670 . 5.370 4.485 4.087 4.674 . 0 0 "[ . 1 . 2]" 1
266 1 17 MET HB3 1 29 LEU HB3 5.130 . 5.900 5.782 5.033 5.970 0.070 7 0 "[ . 1 . 2]" 1
267 1 17 MET HB3 1 29 LEU MD1 4.990 . 5.740 4.932 4.157 5.346 . 0 0 "[ . 1 . 2]" 1
268 1 17 MET HB3 1 31 ARG HA 5.410 . 6.220 5.454 4.745 6.259 0.039 13 0 "[ . 1 . 2]" 1
269 1 17 MET ME 1 17 MET HG3 3.660 . 4.210 2.633 2.538 3.398 . 0 0 "[ . 1 . 2]" 1
270 1 17 MET ME 1 18 LYS H 4.640 . 5.340 5.004 4.400 5.229 . 0 0 "[ . 1 . 2]" 1
271 1 17 MET ME 1 29 LEU H 5.120 . 5.890 4.142 3.846 4.883 . 0 0 "[ . 1 . 2]" 1
272 1 17 MET ME 1 29 LEU HB2 3.510 . 4.040 2.555 2.170 3.354 . 0 0 "[ . 1 . 2]" 1
273 1 17 MET ME 1 29 LEU HB3 3.650 . 4.200 3.239 2.691 4.236 0.036 10 0 "[ . 1 . 2]" 1
274 1 17 MET ME 1 29 LEU MD1 3.370 . 3.880 2.967 2.313 3.450 . 0 0 "[ . 1 . 2]" 1
275 1 17 MET ME 1 29 LEU HG 4.470 . 5.140 4.308 3.892 5.016 . 0 0 "[ . 1 . 2]" 1
276 1 17 MET ME 1 31 ARG HA 4.060 . 4.670 3.538 2.956 4.465 . 0 0 "[ . 1 . 2]" 1
277 1 17 MET ME 1 63 PRO HA 4.820 . 5.540 5.354 4.971 5.564 0.024 9 0 "[ . 1 . 2]" 1
278 1 17 MET ME 1 64 ASP H 5.500 . 6.330 6.386 6.072 6.468 0.138 20 0 "[ . 1 . 2]" 1
279 1 17 MET HG2 1 18 LYS H 4.150 . 4.770 4.263 4.010 4.486 . 0 0 "[ . 1 . 2]" 1
280 1 17 MET HG3 1 29 LEU H 5.500 . 6.330 5.053 4.849 5.272 . 0 0 "[ . 1 . 2]" 1
281 1 17 MET HG3 1 29 LEU HB2 4.560 . 5.240 4.475 4.074 4.883 . 0 0 "[ . 1 . 2]" 1
282 1 17 MET HG3 1 29 LEU HB3 5.060 . 5.820 5.421 5.016 5.745 . 0 0 "[ . 1 . 2]" 1
283 1 17 MET HG3 1 31 ARG HA 4.640 . 5.340 2.513 1.793 3.415 0.007 15 0 "[ . 1 . 2]" 1
284 1 17 MET HG3 1 31 ARG HG2 5.110 . 5.880 4.886 4.129 5.727 . 0 0 "[ . 1 . 2]" 1
285 1 18 LYS H 1 18 LYS HB2 3.480 . 4.000 2.884 2.760 3.012 . 0 0 "[ . 1 . 2]" 1
286 1 18 LYS H 1 18 LYS HB3 3.830 . 4.400 2.408 2.337 2.536 . 0 0 "[ . 1 . 2]" 1
287 1 18 LYS H 1 18 LYS QG 4.530 . 5.210 3.983 3.944 4.042 . 0 0 "[ . 1 . 2]" 1
288 1 18 LYS H 1 19 CYS H 4.860 . 5.590 4.315 4.240 4.406 . 0 0 "[ . 1 . 2]" 1
289 1 18 LYS H 1 64 ASP H 4.750 . 5.460 4.185 3.895 4.521 . 0 0 "[ . 1 . 2]" 1
290 1 18 LYS H 1 64 ASP HB3 4.540 . 5.220 4.512 4.016 4.940 . 0 0 "[ . 1 . 2]" 1
291 1 18 LYS HA 1 18 LYS HD2 5.100 . 5.870 4.447 4.278 4.562 . 0 0 "[ . 1 . 2]" 1
292 1 18 LYS HA 1 18 LYS QD 4.480 . 5.150 4.069 3.971 4.141 . 0 0 "[ . 1 . 2]" 1
293 1 18 LYS HA 1 18 LYS HD3 5.100 . 5.870 4.718 4.665 4.749 . 0 0 "[ . 1 . 2]" 1
294 1 18 LYS HA 1 18 LYS QE 5.500 . 6.330 4.807 4.735 4.892 . 0 0 "[ . 1 . 2]" 1
295 1 18 LYS HA 1 18 LYS QG 3.770 . 4.340 2.567 2.498 2.640 . 0 0 "[ . 1 . 2]" 1
296 1 18 LYS HA 1 19 CYS H 2.990 . 3.440 2.160 2.135 2.183 . 0 0 "[ . 1 . 2]" 1
297 1 18 LYS HA 1 19 CYS QB 4.740 . 5.450 4.500 4.309 4.582 . 0 0 "[ . 1 . 2]" 1
298 1 18 LYS HA 1 28 CYS HA 3.810 . 4.380 2.812 2.481 3.179 . 0 0 "[ . 1 . 2]" 1
299 1 18 LYS HA 1 29 LEU H 4.270 . 4.910 3.978 3.647 4.257 . 0 0 "[ . 1 . 2]" 1
300 1 18 LYS HA 1 29 LEU HG 5.500 . 6.330 5.599 5.024 5.985 . 0 0 "[ . 1 . 2]" 1
301 1 18 LYS HA 1 64 ASP HB2 5.500 . 6.330 6.017 5.739 6.347 0.017 8 0 "[ . 1 . 2]" 1
302 1 18 LYS HA 1 64 ASP HB3 4.830 . 5.550 5.009 4.680 5.255 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS HB2 1 18 LYS QE 4.760 . 5.470 4.031 3.994 4.092 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS HB2 1 19 CYS H 4.310 . 4.960 4.368 4.239 4.439 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS HB2 1 64 ASP H 5.390 . 6.200 5.215 4.824 5.805 . 0 0 "[ . 1 . 2]" 1
306 1 18 LYS HB2 1 64 ASP HB3 4.190 . 4.820 4.130 3.792 4.560 . 0 0 "[ . 1 . 2]" 1
307 1 18 LYS HB3 1 18 LYS QD 3.680 . 4.230 2.341 2.286 2.459 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS HB3 1 19 CYS H 4.670 . 5.370 4.427 4.371 4.477 . 0 0 "[ . 1 . 2]" 1
309 1 18 LYS HB3 1 19 CYS HA 5.230 . 6.010 5.043 4.975 5.130 . 0 0 "[ . 1 . 2]" 1
310 1 18 LYS HB3 1 64 ASP HA 5.460 . 6.280 5.342 4.943 5.805 . 0 0 "[ . 1 . 2]" 1
311 1 18 LYS HB3 1 64 ASP HB2 4.220 . 4.850 4.166 3.586 4.767 . 0 0 "[ . 1 . 2]" 1
312 1 18 LYS HB3 1 64 ASP HB3 4.110 . 4.730 2.604 2.135 3.093 . 0 0 "[ . 1 . 2]" 1
313 1 18 LYS QD 1 20 ILE MD 4.420 . 5.080 3.700 3.353 4.342 . 0 0 "[ . 1 . 2]" 1
314 1 18 LYS QD 1 64 ASP HB2 4.270 . 4.910 3.469 2.816 3.867 . 0 0 "[ . 1 . 2]" 1
315 1 18 LYS QD 1 64 ASP HB3 4.100 . 4.720 2.305 1.982 2.764 . 0 0 "[ . 1 . 2]" 1
316 1 18 LYS HD2 1 64 ASP HB3 4.910 . 5.650 3.956 3.697 4.339 . 0 0 "[ . 1 . 2]" 1
317 1 18 LYS HD3 1 64 ASP HB3 4.910 . 5.650 2.321 1.990 2.796 . 0 0 "[ . 1 . 2]" 1
318 1 18 LYS QE 1 20 ILE HB 5.410 . 5.850 4.107 3.873 4.464 . 0 0 "[ . 1 . 2]" 1
319 1 18 LYS QE 1 20 ILE MD 4.340 . 4.840 1.998 1.757 2.871 0.043 9 0 "[ . 1 . 2]" 1
320 1 18 LYS QE 1 20 ILE MG 3.350 . 3.850 1.960 1.803 2.111 . 0 0 "[ . 1 . 2]" 1
321 1 18 LYS QE 1 26 TYR HB2 4.170 . 4.800 4.445 4.163 4.609 . 0 0 "[ . 1 . 2]" 1
322 1 18 LYS QE 1 26 TYR QD 4.610 . 5.060 2.502 1.890 2.825 . 0 0 "[ . 1 . 2]" 1
323 1 18 LYS QG 1 19 CYS H . . 4.270 3.238 3.040 3.364 . 0 0 "[ . 1 . 2]" 1
324 1 18 LYS QG 1 19 CYS HA 4.890 . 5.620 3.941 3.772 4.059 . 0 0 "[ . 1 . 2]" 1
325 1 18 LYS QG 1 26 TYR HB2 5.140 . 5.910 5.118 4.846 5.512 . 0 0 "[ . 1 . 2]" 1
326 1 18 LYS QG 1 26 TYR QD 4.610 . 5.300 2.874 2.474 3.736 . 0 0 "[ . 1 . 2]" 1
327 1 18 LYS QG 1 26 TYR QE 4.880 . 5.610 1.992 1.768 3.072 0.032 14 0 "[ . 1 . 2]" 1
328 1 18 LYS QG 1 64 ASP HB2 4.870 . 5.600 3.176 2.782 3.542 . 0 0 "[ . 1 . 2]" 1
329 1 18 LYS QG 1 64 ASP HB3 4.850 . 5.580 2.602 2.406 2.935 . 0 0 "[ . 1 . 2]" 1
330 1 19 CYS H 1 19 CYS QB 3.360 . 3.860 2.533 2.367 2.585 . 0 0 "[ . 1 . 2]" 1
331 1 19 CYS H 1 20 ILE MG 4.840 . 5.570 3.820 3.663 4.141 . 0 0 "[ . 1 . 2]" 1
332 1 19 CYS H 1 26 TYR HA 4.990 . 5.740 5.116 4.810 5.496 . 0 0 "[ . 1 . 2]" 1
333 1 19 CYS H 1 27 LEU QB 4.500 . 5.180 3.495 3.201 3.965 . 0 0 "[ . 1 . 2]" 1
334 1 19 CYS H 1 27 LEU QD 5.500 . 5.770 4.911 4.666 5.273 . 0 0 "[ . 1 . 2]" 1
335 1 19 CYS H 1 28 CYS HA 4.160 . 4.780 3.058 2.844 3.419 . 0 0 "[ . 1 . 2]" 1
336 1 19 CYS H 1 29 LEU MD1 4.770 . 5.490 5.008 4.679 5.346 . 0 0 "[ . 1 . 2]" 1
337 1 19 CYS H 1 29 LEU MD2 5.280 . 6.070 5.454 4.991 5.974 . 0 0 "[ . 1 . 2]" 1
338 1 19 CYS HA 1 20 ILE H 3.220 . 3.700 2.170 2.142 2.195 . 0 0 "[ . 1 . 2]" 1
339 1 19 CYS HA 1 20 ILE MG 4.650 . 5.350 3.893 3.802 4.012 . 0 0 "[ . 1 . 2]" 1
340 1 19 CYS HA 1 61 TYR HB2 5.500 . 6.330 5.412 5.099 5.672 . 0 0 "[ . 1 . 2]" 1
341 1 19 CYS HA 1 61 TYR HB3 4.690 . 5.390 4.024 3.849 4.239 . 0 0 "[ . 1 . 2]" 1
342 1 19 CYS HA 1 62 GLU H 4.640 . 5.340 4.406 3.843 4.952 . 0 0 "[ . 1 . 2]" 1
343 1 19 CYS HA 1 62 GLU HA 5.210 . 5.990 5.072 4.679 5.371 . 0 0 "[ . 1 . 2]" 1
344 1 19 CYS HA 1 63 PRO HA 3.500 . 4.030 2.763 2.463 3.137 . 0 0 "[ . 1 . 2]" 1
345 1 19 CYS HA 1 63 PRO HB3 5.450 . 6.270 4.747 4.286 5.256 . 0 0 "[ . 1 . 2]" 1
346 1 19 CYS HA 1 64 ASP H 3.740 . 4.300 3.393 3.033 3.781 . 0 0 "[ . 1 . 2]" 1
347 1 19 CYS HA 1 64 ASP HB2 5.050 . 5.810 4.649 4.317 5.046 . 0 0 "[ . 1 . 2]" 1
348 1 19 CYS QB 1 20 ILE H 4.780 . 5.380 3.431 3.259 3.542 . 0 0 "[ . 1 . 2]" 1
349 1 19 CYS QB 1 20 ILE HA 4.840 . 5.570 4.189 4.120 4.241 . 0 0 "[ . 1 . 2]" 1
350 1 19 CYS QB 1 27 LEU QB 4.430 . 4.850 2.116 1.762 2.599 0.038 7 0 "[ . 1 . 2]" 1
351 1 19 CYS QB 1 27 LEU QD 3.820 . 4.390 3.193 2.822 3.734 . 0 0 "[ . 1 . 2]" 1
352 1 19 CYS QB 1 27 LEU HG 4.680 . 5.380 4.240 3.822 4.767 . 0 0 "[ . 1 . 2]" 1
353 1 19 CYS QB 1 29 LEU MD1 3.750 . 4.310 3.381 2.892 3.783 . 0 0 "[ . 1 . 2]" 1
354 1 19 CYS QB 1 29 LEU MD2 4.680 . 5.380 4.164 3.634 4.715 . 0 0 "[ . 1 . 2]" 1
355 1 19 CYS QB 1 61 TYR HA 5.080 . 5.840 4.703 4.155 5.181 . 0 0 "[ . 1 . 2]" 1
356 1 19 CYS QB 1 61 TYR HB2 3.650 . 4.200 3.337 3.080 3.566 . 0 0 "[ . 1 . 2]" 1
357 1 19 CYS QB 1 61 TYR HB3 3.860 . 4.190 2.444 2.106 2.851 . 0 0 "[ . 1 . 2]" 1
358 1 19 CYS QB 1 61 TYR QD 4.450 . 4.900 3.572 3.320 3.866 . 0 0 "[ . 1 . 2]" 1
359 1 19 CYS QB 1 61 TYR QE 5.500 . 6.330 5.041 4.669 5.403 . 0 0 "[ . 1 . 2]" 1
360 1 19 CYS QB 1 62 GLU H 4.440 . 5.110 4.265 3.756 4.930 . 0 0 "[ . 1 . 2]" 1
361 1 20 ILE H 1 20 ILE MD 4.340 . 4.990 3.950 3.824 4.023 . 0 0 "[ . 1 . 2]" 1
362 1 20 ILE H 1 20 ILE HG12 4.180 . 4.810 2.329 2.152 2.423 . 0 0 "[ . 1 . 2]" 1
363 1 20 ILE H 1 20 ILE HG13 4.690 . 5.390 3.002 2.873 3.135 . 0 0 "[ . 1 . 2]" 1
364 1 20 ILE H 1 20 ILE MG 3.850 . 4.430 2.978 2.904 3.054 . 0 0 "[ . 1 . 2]" 1
365 1 20 ILE H 1 61 TYR HA 5.050 . 5.810 4.749 4.205 5.204 . 0 0 "[ . 1 . 2]" 1
366 1 20 ILE H 1 61 TYR HB3 5.090 . 5.850 3.829 3.478 4.123 . 0 0 "[ . 1 . 2]" 1
367 1 20 ILE H 1 62 GLU H 3.510 . 4.040 3.261 2.739 3.588 . 0 0 "[ . 1 . 2]" 1
368 1 20 ILE H 1 64 ASP H 4.360 . 5.010 3.894 3.378 4.308 . 0 0 "[ . 1 . 2]" 1
369 1 20 ILE H 1 64 ASP HB2 5.500 . 6.330 3.771 3.257 4.478 . 0 0 "[ . 1 . 2]" 1
370 1 20 ILE HA 1 20 ILE MD 4.500 . 5.180 4.202 4.196 4.208 . 0 0 "[ . 1 . 2]" 1
371 1 20 ILE HA 1 20 ILE MG 3.520 . 4.050 2.348 2.320 2.406 . 0 0 "[ . 1 . 2]" 1
372 1 20 ILE HA 1 26 TYR HA 3.520 . 4.050 2.988 2.759 3.178 . 0 0 "[ . 1 . 2]" 1
373 1 20 ILE HA 1 26 TYR HB2 5.280 . 6.070 4.978 4.546 5.325 . 0 0 "[ . 1 . 2]" 1
374 1 20 ILE HA 1 27 LEU H 4.190 . 4.820 3.516 3.195 3.671 . 0 0 "[ . 1 . 2]" 1
375 1 20 ILE HA 1 61 TYR QD 4.030 . 4.630 2.491 2.163 2.706 . 0 0 "[ . 1 . 2]" 1
376 1 20 ILE HA 1 61 TYR QE 4.540 . 5.220 3.685 3.400 3.957 . 0 0 "[ . 1 . 2]" 1
377 1 20 ILE HB 1 20 ILE MD 3.400 . 3.910 2.426 2.399 2.455 . 0 0 "[ . 1 . 2]" 1
378 1 20 ILE HB 1 21 ASN H 4.790 . 5.510 2.509 2.420 2.773 . 0 0 "[ . 1 . 2]" 1
379 1 20 ILE HB 1 25 GLY QA 5.230 . 6.010 4.993 4.773 5.198 . 0 0 "[ . 1 . 2]" 1
380 1 20 ILE HB 1 26 TYR HA 4.990 . 5.740 3.918 3.582 4.447 . 0 0 "[ . 1 . 2]" 1
381 1 20 ILE MD 1 20 ILE MG 3.170 . 3.650 1.969 1.939 2.012 . 0 0 "[ . 1 . 2]" 1
382 1 20 ILE MD 1 21 ASN H 4.660 . 5.360 4.332 4.195 4.648 . 0 0 "[ . 1 . 2]" 1
383 1 20 ILE MD 1 24 GLY HA2 5.080 . 5.840 4.870 3.918 5.657 . 0 0 "[ . 1 . 2]" 1
384 1 20 ILE MD 1 26 TYR HB2 5.500 . 6.330 5.332 4.917 6.065 . 0 0 "[ . 1 . 2]" 1
385 1 20 ILE MD 1 26 TYR QD 4.840 . 5.570 4.312 4.103 5.194 . 0 0 "[ . 1 . 2]" 1
386 1 20 ILE MD 1 26 TYR QE 5.500 . 6.330 5.295 4.819 6.272 . 0 0 "[ . 1 . 2]" 1
387 1 20 ILE MD 1 64 ASP HA 4.190 . 4.820 3.862 3.341 4.323 . 0 0 "[ . 1 . 2]" 1
388 1 20 ILE MD 1 64 ASP HB2 4.130 . 4.750 2.431 2.170 2.852 . 0 0 "[ . 1 . 2]" 1
389 1 20 ILE MD 1 64 ASP HB3 4.510 . 5.190 3.545 3.282 4.132 . 0 0 "[ . 1 . 2]" 1
390 1 20 ILE MD 1 65 ASP H 5.200 . 5.980 5.237 4.595 5.728 . 0 0 "[ . 1 . 2]" 1
391 1 20 ILE HG12 1 20 ILE MG 3.410 . 3.920 2.398 2.367 2.427 . 0 0 "[ . 1 . 2]" 1
392 1 20 ILE HG12 1 62 GLU HG2 4.900 . 5.640 4.677 4.038 5.249 . 0 0 "[ . 1 . 2]" 1
393 1 20 ILE HG12 1 62 GLU HG3 4.950 . 5.690 4.106 3.363 4.539 . 0 0 "[ . 1 . 2]" 1
394 1 20 ILE HG12 1 64 ASP HA 4.720 . 5.430 4.114 3.549 4.656 . 0 0 "[ . 1 . 2]" 1
395 1 20 ILE HG12 1 64 ASP HB2 4.920 . 5.660 2.104 1.768 2.943 0.032 13 0 "[ . 1 . 2]" 1
396 1 20 ILE HG13 1 62 GLU H 4.810 . 5.530 4.235 3.765 4.560 . 0 0 "[ . 1 . 2]" 1
397 1 20 ILE HG13 1 62 GLU HG3 4.570 . 5.260 3.453 2.815 3.816 . 0 0 "[ . 1 . 2]" 1
398 1 20 ILE HG13 1 64 ASP HB2 5.500 . 6.330 3.444 2.942 4.352 . 0 0 "[ . 1 . 2]" 1
399 1 20 ILE MG 1 25 GLY H 5.500 . 6.330 5.264 5.016 5.516 . 0 0 "[ . 1 . 2]" 1
400 1 20 ILE MG 1 25 GLY QA 5.340 . 6.140 4.604 4.492 4.840 . 0 0 "[ . 1 . 2]" 1
401 1 20 ILE MG 1 26 TYR HA 4.090 . 4.700 1.940 1.767 2.468 0.033 5 0 "[ . 1 . 2]" 1
402 1 20 ILE MG 1 26 TYR HB2 3.450 . 3.970 2.979 2.646 3.442 . 0 0 "[ . 1 . 2]" 1
403 1 20 ILE MG 1 26 TYR QD 4.780 . 5.500 2.205 1.967 2.744 . 0 0 "[ . 1 . 2]" 1
404 1 20 ILE MG 1 62 GLU H 5.340 . 6.140 5.415 5.126 5.637 . 0 0 "[ . 1 . 2]" 1
405 1 20 ILE MG 1 62 GLU HG2 5.500 . 6.330 5.787 5.346 6.257 . 0 0 "[ . 1 . 2]" 1
406 1 20 ILE MG 1 62 GLU HG3 5.500 . 6.330 5.682 5.157 5.944 . 0 0 "[ . 1 . 2]" 1
407 1 20 ILE MG 1 64 ASP H 4.830 . 5.550 4.665 4.364 5.000 . 0 0 "[ . 1 . 2]" 1
408 1 20 ILE MG 1 64 ASP HA 5.040 . 5.800 5.485 4.829 5.840 0.040 19 0 "[ . 1 . 2]" 1
409 1 20 ILE MG 1 64 ASP HB2 3.790 . 4.360 3.440 2.782 3.824 . 0 0 "[ . 1 . 2]" 1
410 1 20 ILE MG 1 64 ASP HB3 4.060 . 4.670 3.867 3.458 4.557 . 0 0 "[ . 1 . 2]" 1
411 1 21 ASN H 1 24 GLY HA2 4.200 . 4.830 4.524 4.179 4.864 0.034 17 0 "[ . 1 . 2]" 1
412 1 21 ASN H 1 24 GLY HA3 5.500 . 6.330 5.672 5.443 5.929 . 0 0 "[ . 1 . 2]" 1
413 1 21 ASN H 1 25 GLY H 4.160 . 4.780 3.260 3.037 3.497 . 0 0 "[ . 1 . 2]" 1
414 1 21 ASN HA 1 61 TYR HA 3.760 . 4.320 3.132 2.048 3.745 . 0 0 "[ . 1 . 2]" 1
415 1 21 ASN HA 1 62 GLU H 4.680 . 5.380 3.221 2.883 3.634 . 0 0 "[ . 1 . 2]" 1
416 1 21 ASN HB2 1 61 TYR QE 5.500 . 6.330 5.214 4.377 5.910 . 0 0 "[ . 1 . 2]" 1
417 1 21 ASN HB3 1 61 TYR H 4.800 . 5.520 4.603 4.349 5.307 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASN HB3 1 61 TYR HA 4.240 . 4.880 2.352 1.790 3.096 0.010 13 0 "[ . 1 . 2]" 1
419 1 21 ASN HB3 1 61 TYR QD 5.090 . 5.850 3.277 2.953 3.936 . 0 0 "[ . 1 . 2]" 1
420 1 21 ASN HB3 1 61 TYR QE 5.320 . 6.120 4.043 3.057 4.781 . 0 0 "[ . 1 . 2]" 1
421 1 21 ASN HB3 1 62 GLU H 5.050 . 5.810 3.889 3.244 5.035 . 0 0 "[ . 1 . 2]" 1
422 1 21 ASN HD22 1 23 TYR QB 4.700 . 5.400 2.832 2.572 3.147 . 0 0 "[ . 1 . 2]" 1
423 1 21 ASN HD22 1 25 GLY H 4.290 . 4.930 3.036 2.759 3.305 . 0 0 "[ . 1 . 2]" 1
424 1 21 ASN HD22 1 25 GLY QA 3.860 . 4.440 2.748 2.197 3.206 . 0 0 "[ . 1 . 2]" 1
425 1 23 TYR H 1 25 GLY H 4.510 . 5.190 3.808 3.477 4.125 . 0 0 "[ . 1 . 2]" 1
426 1 23 TYR HA 1 23 TYR HE1 4.340 . 4.990 4.980 4.676 5.145 0.155 12 0 "[ . 1 . 2]" 1
427 1 23 TYR HA 1 25 GLY H 4.990 . 5.740 4.842 4.686 4.993 . 0 0 "[ . 1 . 2]" 1
428 1 23 TYR QB 1 25 GLY H 4.160 . 4.780 3.000 2.687 3.221 . 0 0 "[ . 1 . 2]" 1
429 1 25 GLY H 1 26 TYR H 4.780 . 5.500 4.612 4.484 4.653 . 0 0 "[ . 1 . 2]" 1
430 1 25 GLY QA 1 26 TYR H 3.040 . 3.500 2.171 2.117 2.244 . 0 0 "[ . 1 . 2]" 1
431 1 25 GLY QA 1 26 TYR HB2 5.280 . 6.070 4.294 4.084 4.458 . 0 0 "[ . 1 . 2]" 1
432 1 25 GLY QA 1 26 TYR HB3 5.340 . 6.140 4.223 4.126 4.366 . 0 0 "[ . 1 . 2]" 1
433 1 26 TYR H 1 26 TYR HB3 4.140 . 4.760 2.567 2.418 2.687 . 0 0 "[ . 1 . 2]" 1
434 1 26 TYR H 1 26 TYR QD 4.520 . 5.200 4.237 4.173 4.332 . 0 0 "[ . 1 . 2]" 1
435 1 26 TYR H 1 27 LEU QD 5.020 . 5.770 4.097 3.807 4.361 . 0 0 "[ . 1 . 2]" 1
436 1 26 TYR H 1 27 LEU HG 4.870 . 5.600 4.104 3.911 4.372 . 0 0 "[ . 1 . 2]" 1
437 1 26 TYR HA 1 26 TYR QE 5.200 . 5.980 4.720 4.648 4.820 . 0 0 "[ . 1 . 2]" 1
438 1 26 TYR HA 1 27 LEU H 3.160 . 3.630 2.156 2.131 2.173 . 0 0 "[ . 1 . 2]" 1
439 1 26 TYR HA 1 61 TYR QD 4.790 . 5.510 4.559 3.819 5.017 . 0 0 "[ . 1 . 2]" 1
440 1 26 TYR HA 1 61 TYR QE 4.280 . 4.920 4.341 3.570 4.928 0.008 1 0 "[ . 1 . 2]" 1
441 1 26 TYR HB2 1 27 LEU H 4.620 . 5.310 4.223 4.092 4.363 . 0 0 "[ . 1 . 2]" 1
442 1 26 TYR HB3 1 27 LEU H 4.990 . 5.740 4.339 4.255 4.470 . 0 0 "[ . 1 . 2]" 1
443 1 26 TYR HB3 1 27 LEU QD 4.470 . 5.140 4.794 4.674 4.975 . 0 0 "[ . 1 . 2]" 1
444 1 26 TYR QD 1 27 LEU H 4.580 . 5.270 3.513 3.045 3.803 . 0 0 "[ . 1 . 2]" 1
445 1 26 TYR QD 1 27 LEU HA 4.090 . 4.700 4.059 3.405 4.481 . 0 0 "[ . 1 . 2]" 1
446 1 26 TYR QD 1 28 CYS H 4.980 . 5.730 5.230 4.813 5.469 . 0 0 "[ . 1 . 2]" 1
447 1 26 TYR QE 1 27 LEU H 5.500 . 6.330 4.621 4.298 4.998 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU H 1 27 LEU QD 4.810 . 5.420 3.605 3.447 3.690 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU H 1 27 LEU HG 3.360 . 3.860 3.237 2.967 3.396 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU H 1 28 CYS H 4.840 . 5.570 4.430 4.347 4.465 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU H 1 61 TYR QE 5.050 . 5.810 4.695 4.038 5.286 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU HA 1 27 LEU QD 3.490 . 4.010 2.040 1.955 2.097 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU HA 1 28 CYS H 2.860 . 3.290 2.293 2.204 2.365 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU HA 1 28 CYS HB2 4.960 . 5.700 4.540 4.471 4.610 . 0 0 "[ . 1 . 2]" 1
455 1 27 LEU HA 1 29 LEU MD2 4.980 . 5.730 5.259 4.564 5.693 . 0 0 "[ . 1 . 2]" 1
456 1 27 LEU QB 1 28 CYS H 3.940 . 4.150 2.773 2.549 3.047 . 0 0 "[ . 1 . 2]" 1
457 1 27 LEU QB 1 28 CYS HA 4.820 . 5.540 4.046 3.912 4.201 . 0 0 "[ . 1 . 2]" 1
458 1 27 LEU QB 1 29 LEU MD1 4.740 . 5.450 4.146 3.511 4.681 . 0 0 "[ . 1 . 2]" 1
459 1 27 LEU QB 1 29 LEU MD2 . . 4.810 3.324 2.633 3.789 . 0 0 "[ . 1 . 2]" 1
460 1 27 LEU QB 1 61 TYR QE 5.500 . 6.330 4.476 3.943 4.855 . 0 0 "[ . 1 . 2]" 1
461 1 27 LEU QD 1 28 CYS H 4.200 . 4.830 3.381 3.259 3.568 . 0 0 "[ . 1 . 2]" 1
462 1 27 LEU QD 1 29 LEU MD1 4.220 . 4.850 4.077 3.204 4.718 . 0 0 "[ . 1 . 2]" 1
463 1 27 LEU QD 1 29 LEU MD2 3.490 . 4.010 3.409 2.592 3.799 . 0 0 "[ . 1 . 2]" 1
464 1 27 LEU QD 1 29 LEU HG 4.450 . 5.120 4.293 3.739 4.861 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU QD 1 61 TYR QD 5.040 . 5.800 3.208 2.993 3.706 . 0 0 "[ . 1 . 2]" 1
466 1 27 LEU QD 1 61 TYR QE 4.470 . 5.110 3.005 2.805 3.234 . 0 0 "[ . 1 . 2]" 1
467 1 27 LEU HG 1 61 TYR QE 4.270 . 4.910 3.217 2.693 3.537 . 0 0 "[ . 1 . 2]" 1
468 1 28 CYS H 1 28 CYS HB2 3.350 . 3.850 2.588 2.446 2.699 . 0 0 "[ . 1 . 2]" 1
469 1 28 CYS H 1 28 CYS HB3 3.700 . 4.260 3.749 3.671 3.818 . 0 0 "[ . 1 . 2]" 1
470 1 28 CYS H 1 29 LEU H 4.630 . 5.320 4.297 4.083 4.524 . 0 0 "[ . 1 . 2]" 1
471 1 28 CYS H 1 29 LEU MD2 4.400 . 5.060 4.170 3.758 4.486 . 0 0 "[ . 1 . 2]" 1
472 1 28 CYS HA 1 29 LEU H 2.890 . 3.320 2.157 2.130 2.207 . 0 0 "[ . 1 . 2]" 1
473 1 28 CYS HA 1 29 LEU HB2 4.730 . 5.440 4.552 4.400 4.658 . 0 0 "[ . 1 . 2]" 1
474 1 28 CYS HA 1 29 LEU MD2 4.690 . 5.390 4.510 4.266 4.688 . 0 0 "[ . 1 . 2]" 1
475 1 28 CYS HA 1 29 LEU HG 4.430 . 5.090 4.007 3.854 4.193 . 0 0 "[ . 1 . 2]" 1
476 1 28 CYS HB2 1 29 LEU H 4.600 . 5.290 4.348 4.146 4.498 . 0 0 "[ . 1 . 2]" 1
477 1 28 CYS HB2 1 29 LEU MD2 5.380 . 6.190 5.281 5.016 5.564 . 0 0 "[ . 1 . 2]" 1
478 1 28 CYS HB3 1 29 LEU H 4.130 . 4.750 3.414 3.013 3.798 . 0 0 "[ . 1 . 2]" 1
479 1 29 LEU H 1 29 LEU HB2 3.420 . 3.930 2.525 2.460 2.589 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU H 1 29 LEU MD2 4.070 . 4.680 3.613 3.443 3.843 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU H 1 29 LEU HG 3.460 . 3.980 2.883 2.576 3.165 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU HA 1 29 LEU MD1 3.860 . 4.440 3.841 3.813 3.859 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU HA 1 29 LEU MD2 3.390 . 3.900 1.985 1.934 2.035 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU HA 1 29 LEU HG 3.560 . 4.090 3.170 3.072 3.245 . 0 0 "[ . 1 . 2]" 1
485 1 29 LEU HA 1 30 PRO HD2 2.980 . 3.430 2.410 2.090 2.955 . 0 0 "[ . 1 . 2]" 1
486 1 29 LEU HA 1 30 PRO HD3 3.140 . 3.610 2.448 1.989 2.644 . 0 0 "[ . 1 . 2]" 1
487 1 29 LEU HB2 1 29 LEU MD1 3.270 . 3.760 2.380 2.351 2.403 . 0 0 "[ . 1 . 2]" 1
488 1 29 LEU HB2 1 30 PRO HA 5.410 . 6.220 5.431 5.354 5.599 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU HB2 1 30 PRO HD2 4.240 . 4.880 3.716 3.407 3.953 . 0 0 "[ . 1 . 2]" 1
490 1 29 LEU HB2 1 30 PRO HD3 4.670 . 5.370 4.782 4.309 5.120 . 0 0 "[ . 1 . 2]" 1
491 1 29 LEU HB3 1 29 LEU MD1 3.320 . 3.820 2.353 2.323 2.376 . 0 0 "[ . 1 . 2]" 1
492 1 29 LEU HB3 1 29 LEU MD2 3.220 . 3.700 2.443 2.421 2.466 . 0 0 "[ . 1 . 2]" 1
493 1 29 LEU HB3 1 30 PRO HA 5.080 . 5.840 4.973 4.911 5.038 . 0 0 "[ . 1 . 2]" 1
494 1 29 LEU HB3 1 30 PRO HD2 3.720 . 4.280 2.172 1.797 2.522 0.003 19 0 "[ . 1 . 2]" 1
495 1 29 LEU HB3 1 30 PRO HD3 3.480 . 4.000 3.575 3.023 4.003 0.003 13 0 "[ . 1 . 2]" 1
496 1 29 LEU HB3 1 30 PRO HG2 4.000 . 4.600 3.823 3.429 4.632 0.032 5 0 "[ . 1 . 2]" 1
497 1 29 LEU MD1 1 30 PRO HD2 4.030 . 4.630 3.816 3.509 4.090 . 0 0 "[ . 1 . 2]" 1
498 1 29 LEU MD1 1 61 TYR HB3 5.500 . 6.330 5.407 4.738 6.048 . 0 0 "[ . 1 . 2]" 1
499 1 29 LEU MD2 1 30 PRO HD2 3.770 . 4.340 2.710 2.426 3.054 . 0 0 "[ . 1 . 2]" 1
500 1 29 LEU MD2 1 30 PRO HD3 3.520 . 4.050 3.357 2.870 3.618 . 0 0 "[ . 1 . 2]" 1
501 1 29 LEU HG 1 30 PRO HD2 4.760 . 5.470 4.599 4.413 4.986 . 0 0 "[ . 1 . 2]" 1
502 1 30 PRO HA 1 31 ARG H 2.890 . 3.320 2.252 2.180 2.371 . 0 0 "[ . 1 . 2]" 1
503 1 30 PRO HA 1 31 ARG HA 4.390 . 5.050 4.347 4.291 4.397 . 0 0 "[ . 1 . 2]" 1
504 1 30 PRO HA 1 31 ARG HB2 4.500 . 5.180 4.363 4.253 4.456 . 0 0 "[ . 1 . 2]" 1
505 1 30 PRO HB2 1 31 ARG H 3.790 . 4.360 3.275 2.814 3.739 . 0 0 "[ . 1 . 2]" 1
506 1 30 PRO HB2 1 32 SER H 4.150 . 4.770 2.447 2.266 2.769 . 0 0 "[ . 1 . 2]" 1
507 1 30 PRO HB2 1 32 SER HB2 4.460 . 5.130 3.776 2.717 4.804 . 0 0 "[ . 1 . 2]" 1
508 1 30 PRO HB2 1 32 SER QB 3.740 . 4.300 3.133 2.695 3.658 . 0 0 "[ . 1 . 2]" 1
509 1 30 PRO HB2 1 32 SER HB3 4.460 . 5.130 3.680 2.903 4.646 . 0 0 "[ . 1 . 2]" 1
510 1 30 PRO HB3 1 31 ARG H 3.790 . 4.360 3.568 2.945 3.915 . 0 0 "[ . 1 . 2]" 1
511 1 30 PRO HG2 1 31 ARG H 4.870 . 5.600 4.997 4.656 5.524 . 0 0 "[ . 1 . 2]" 1
512 1 30 PRO HG2 1 32 SER H 4.760 . 5.470 4.100 3.414 4.955 . 0 0 "[ . 1 . 2]" 1
513 1 30 PRO HG2 1 32 SER HB2 5.500 . 6.330 4.813 3.160 6.328 . 0 0 "[ . 1 . 2]" 1
514 1 30 PRO HG2 1 32 SER HB3 5.500 . 6.330 4.772 3.489 5.912 . 0 0 "[ . 1 . 2]" 1
515 1 31 ARG H 1 31 ARG HB2 3.170 . 3.650 2.506 2.431 2.576 . 0 0 "[ . 1 . 2]" 1
516 1 31 ARG H 1 31 ARG HB3 3.950 . 4.540 2.576 2.513 2.621 . 0 0 "[ . 1 . 2]" 1
517 1 31 ARG H 1 31 ARG QD 4.690 . 5.390 4.418 4.366 4.690 . 0 0 "[ . 1 . 2]" 1
518 1 31 ARG H 1 31 ARG HG2 4.710 . 5.420 4.508 4.485 4.540 . 0 0 "[ . 1 . 2]" 1
519 1 31 ARG H 1 31 ARG HG3 4.540 . 5.220 4.464 4.407 4.508 . 0 0 "[ . 1 . 2]" 1
520 1 31 ARG H 1 32 SER H 4.540 . 5.220 2.721 2.542 2.869 . 0 0 "[ . 1 . 2]" 1
521 1 31 ARG HA 1 31 ARG QD 4.410 . 5.070 4.012 3.957 4.060 . 0 0 "[ . 1 . 2]" 1
522 1 31 ARG HA 1 31 ARG HG2 3.620 . 4.160 3.065 2.959 3.179 . 0 0 "[ . 1 . 2]" 1
523 1 31 ARG HA 1 31 ARG HG3 3.510 . 4.040 2.536 2.465 2.606 . 0 0 "[ . 1 . 2]" 1
524 1 31 ARG HA 1 32 SER H 3.400 . 3.910 3.224 3.135 3.382 . 0 0 "[ . 1 . 2]" 1
525 1 31 ARG HA 1 33 ALA H 4.510 . 5.190 3.412 3.093 3.744 . 0 0 "[ . 1 . 2]" 1
526 1 31 ARG HB2 1 31 ARG HD2 3.530 . 4.060 2.528 2.322 3.698 . 0 0 "[ . 1 . 2]" 1
527 1 31 ARG HB2 1 31 ARG HD3 3.530 . 4.060 3.076 2.494 3.238 . 0 0 "[ . 1 . 2]" 1
528 1 31 ARG HB2 1 31 ARG HG3 2.580 . 2.970 2.454 2.404 2.509 . 0 0 "[ . 1 . 2]" 1
529 1 31 ARG HB2 1 32 SER H 4.630 . 5.320 4.379 4.221 4.465 . 0 0 "[ . 1 . 2]" 1
530 1 31 ARG HB3 1 31 ARG HD2 3.970 . 4.570 3.055 2.879 3.717 . 0 0 "[ . 1 . 2]" 1
531 1 31 ARG HB3 1 31 ARG QD 3.400 . 3.910 2.447 2.359 2.864 . 0 0 "[ . 1 . 2]" 1
532 1 31 ARG HB3 1 31 ARG HD3 3.970 . 4.570 2.582 2.444 2.979 . 0 0 "[ . 1 . 2]" 1
533 1 31 ARG HB3 1 32 SER H 4.790 . 5.510 3.680 3.349 3.834 . 0 0 "[ . 1 . 2]" 1
534 1 31 ARG HB3 1 32 SER HA 4.840 . 5.570 4.541 4.399 4.688 . 0 0 "[ . 1 . 2]" 1
535 1 31 ARG HG2 1 32 SER HA 5.020 . 5.770 4.637 4.399 4.837 . 0 0 "[ . 1 . 2]" 1
536 1 31 ARG HG3 1 32 SER H 5.500 . 6.330 5.221 5.140 5.322 . 0 0 "[ . 1 . 2]" 1
537 1 31 ARG HG3 1 33 ALA H 5.500 . 6.330 5.356 4.806 5.834 . 0 0 "[ . 1 . 2]" 1
538 1 32 SER H 1 32 SER QB 3.560 . 4.090 2.456 2.255 2.630 . 0 0 "[ . 1 . 2]" 1
539 1 32 SER HA 1 33 ALA H 3.520 . 4.050 3.456 3.343 3.548 . 0 0 "[ . 1 . 2]" 1
540 1 32 SER HA 1 33 ALA MB 5.000 . 5.750 4.961 4.842 5.025 . 0 0 "[ . 1 . 2]" 1
541 1 32 SER QB 1 33 ALA H 4.340 . 4.990 3.236 2.593 3.797 . 0 0 "[ . 1 . 2]" 1
542 1 32 SER HB2 1 33 ALA H 5.060 . 5.820 3.755 2.930 4.352 . 0 0 "[ . 1 . 2]" 1
543 1 32 SER HB2 1 33 ALA MB 5.500 . 6.330 4.708 3.922 5.573 . 0 0 "[ . 1 . 2]" 1
544 1 32 SER HB3 1 33 ALA H 5.060 . 5.820 3.793 2.630 4.339 . 0 0 "[ . 1 . 2]" 1
545 1 32 SER HB3 1 33 ALA MB 5.500 . 6.330 4.826 3.753 5.609 . 0 0 "[ . 1 . 2]" 1
546 1 33 ALA HA 1 34 ALA H 3.380 . 3.890 2.278 2.163 2.389 . 0 0 "[ . 1 . 2]" 1
547 1 33 ALA MB 1 34 ALA H 3.830 . 4.400 2.813 2.500 3.399 . 0 0 "[ . 1 . 2]" 1
548 1 33 ALA MB 1 54 PRO HG3 5.500 . 6.330 5.281 3.701 6.229 . 0 0 "[ . 1 . 2]" 1
549 1 33 ALA MB 1 56 PRO QG 3.910 . 4.500 3.059 2.197 4.560 0.060 7 0 "[ . 1 . 2]" 1
550 1 34 ALA H 1 54 PRO HG3 5.500 . 6.330 5.356 4.119 6.376 0.046 14 0 "[ . 1 . 2]" 1
551 1 34 ALA HA 1 35 VAL H 3.030 . 3.480 2.235 2.139 2.366 . 0 0 "[ . 1 . 2]" 1
552 1 34 ALA HA 1 35 VAL MG1 3.960 . 4.550 3.668 3.420 3.903 . 0 0 "[ . 1 . 2]" 1
553 1 34 ALA HA 1 35 VAL MG2 3.960 . 4.550 3.800 3.598 4.129 . 0 0 "[ . 1 . 2]" 1
554 1 34 ALA MB 1 35 VAL H 3.830 . 4.400 2.862 2.553 3.292 . 0 0 "[ . 1 . 2]" 1
555 1 34 ALA MB 1 35 VAL HA 4.950 . 5.690 4.347 4.182 4.640 . 0 0 "[ . 1 . 2]" 1
556 1 34 ALA MB 1 35 VAL MG1 4.680 . 5.380 4.369 2.943 4.686 . 0 0 "[ . 1 . 2]" 1
557 1 34 ALA MB 1 35 VAL QG 3.710 . 4.270 3.628 2.584 4.000 . 0 0 "[ . 1 . 2]" 1
558 1 34 ALA MB 1 35 VAL MG2 4.680 . 5.380 3.889 2.862 4.385 . 0 0 "[ . 1 . 2]" 1
559 1 34 ALA MB 1 54 PRO HG3 5.500 . 6.330 4.585 3.484 5.485 . 0 0 "[ . 1 . 2]" 1
560 1 35 VAL H 1 35 VAL HB 3.990 . 4.590 3.684 3.627 3.955 . 0 0 "[ . 1 . 2]" 1
561 1 35 VAL H 1 35 VAL QG 3.540 . 4.070 1.907 1.811 2.404 . 0 0 "[ . 1 . 2]" 1
562 1 35 VAL HA 1 35 VAL MG1 3.540 . 4.070 2.343 2.285 2.437 . 0 0 "[ . 1 . 2]" 1
563 1 35 VAL HA 1 35 VAL QG 3.040 . 3.500 2.290 2.240 2.368 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL HA 1 35 VAL MG2 3.540 . 4.070 3.221 3.216 3.234 . 0 0 "[ . 1 . 2]" 1
565 1 35 VAL HA 1 36 ILE H 2.870 . 3.300 2.922 2.192 3.369 0.069 9 0 "[ . 1 . 2]" 1
566 1 35 VAL HA 1 54 PRO HD2 4.940 . 5.680 3.432 2.402 4.718 . 0 0 "[ . 1 . 2]" 1
567 1 35 VAL HA 1 54 PRO QD 4.330 . 4.980 3.043 2.091 4.073 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL HA 1 54 PRO HD3 4.940 . 5.680 3.590 2.104 4.452 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL HB 1 36 ILE H 4.580 . 5.270 4.289 3.928 4.493 . 0 0 "[ . 1 . 2]" 1
570 1 35 VAL QG 1 36 ILE H 4.340 . 4.990 3.314 2.653 3.775 . 0 0 "[ . 1 . 2]" 1
571 1 35 VAL QG 1 54 PRO HG3 4.960 . 5.700 3.840 3.015 4.678 . 0 0 "[ . 1 . 2]" 1
572 1 36 ILE H 1 36 ILE HB 3.830 . 4.400 3.681 3.598 3.908 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE H 1 36 ILE HG12 4.050 . 4.660 3.410 3.005 3.993 . 0 0 "[ . 1 . 2]" 1
574 1 36 ILE H 1 36 ILE HG13 4.050 . 4.660 2.476 1.764 4.078 0.036 5 0 "[ . 1 . 2]" 1
575 1 36 ILE H 1 36 ILE MG 3.600 . 4.140 2.685 1.998 3.483 . 0 0 "[ . 1 . 2]" 1
576 1 36 ILE H 1 37 ASN H 5.050 . 5.810 4.125 1.964 4.676 . 0 0 "[ . 1 . 2]" 1
577 1 36 ILE HA 1 36 ILE MD 3.780 . 4.350 3.611 3.534 3.685 . 0 0 "[ . 1 . 2]" 1
578 1 36 ILE HA 1 36 ILE QG 3.630 . 4.170 3.454 3.417 3.516 . 0 0 "[ . 1 . 2]" 1
579 1 36 ILE HA 1 36 ILE MG 3.360 . 3.860 2.286 2.214 2.465 . 0 0 "[ . 1 . 2]" 1
580 1 36 ILE HA 1 37 ASN H 3.400 . 3.910 2.713 2.220 3.605 . 0 0 "[ . 1 . 2]" 1
581 1 36 ILE HB 1 36 ILE MD 3.420 . 3.930 2.661 2.368 3.260 . 0 0 "[ . 1 . 2]" 1
582 1 36 ILE HB 1 37 ASN H 4.660 . 5.360 2.563 1.718 4.269 0.082 3 0 "[ . 1 . 2]" 1
583 1 36 ILE HB 1 37 ASN HA 5.220 . 6.000 4.718 4.366 5.606 . 0 0 "[ . 1 . 2]" 1
584 1 36 ILE MD 1 37 ASN H 4.240 . 4.880 3.339 2.062 4.677 . 0 0 "[ . 1 . 2]" 1
585 1 36 ILE MD 1 37 ASN HA 4.700 . 5.400 4.207 3.279 5.310 . 0 0 "[ . 1 . 2]" 1
586 1 36 ILE MD 1 54 PRO HA 5.340 . 6.140 5.071 3.486 6.266 0.126 14 0 "[ . 1 . 2]" 1
587 1 36 ILE MD 1 54 PRO QB 4.450 . 5.120 3.343 2.195 4.272 . 0 0 "[ . 1 . 2]" 1
588 1 36 ILE MD 1 54 PRO QD 5.350 . 6.150 4.024 2.070 5.654 . 0 0 "[ . 1 . 2]" 1
589 1 36 ILE MD 1 54 PRO HG3 4.020 . 4.620 3.576 2.283 4.686 0.066 7 0 "[ . 1 . 2]" 1
590 1 36 ILE HG12 1 36 ILE MG 3.410 . 3.920 2.561 2.230 3.219 . 0 0 "[ . 1 . 2]" 1
591 1 36 ILE HG13 1 36 ILE MG 3.410 . 3.920 2.468 2.360 2.551 . 0 0 "[ . 1 . 2]" 1
592 1 36 ILE MG 1 37 ASN H 4.350 . 5.000 3.628 3.192 4.504 . 0 0 "[ . 1 . 2]" 1
593 1 37 ASN H 1 37 ASN HB2 4.170 . 4.800 3.053 2.372 3.896 . 0 0 "[ . 1 . 2]" 1
594 1 37 ASN H 1 37 ASN HB3 4.170 . 4.800 2.954 2.421 3.663 . 0 0 "[ . 1 . 2]" 1
595 1 37 ASN H 1 38 ASP H 5.500 . 6.330 4.091 2.795 4.665 . 0 0 "[ . 1 . 2]" 1
596 1 37 ASN HA 1 39 LEU QD 5.230 . 6.010 4.423 2.422 5.735 . 0 0 "[ . 1 . 2]" 1
597 1 37 ASN QB 1 39 LEU QD 4.170 . 4.800 3.841 2.403 4.899 0.099 8 0 "[ . 1 . 2]" 1
598 1 37 ASN QD 1 39 LEU QD 4.190 . 4.820 3.723 1.866 4.905 0.085 6 0 "[ . 1 . 2]" 1
599 1 38 ASP H 1 38 ASP QB 3.600 . 4.140 2.590 2.262 2.947 . 0 0 "[ . 1 . 2]" 1
600 1 38 ASP H 1 39 LEU HA 5.500 . 6.330 5.155 4.386 5.674 . 0 0 "[ . 1 . 2]" 1
601 1 38 ASP H 1 39 LEU QD 4.420 . 5.080 3.810 2.394 5.034 . 0 0 "[ . 1 . 2]" 1
602 1 38 ASP HA 1 39 LEU H 3.240 . 3.730 2.386 2.090 3.533 . 0 0 "[ . 1 . 2]" 1
603 1 38 ASP HA 1 39 LEU HA 4.750 . 5.460 4.483 4.265 5.258 . 0 0 "[ . 1 . 2]" 1
604 1 38 ASP HA 1 39 LEU QB 5.170 . 5.950 4.651 4.360 5.468 . 0 0 "[ . 1 . 2]" 1
605 1 38 ASP HA 1 39 LEU MD1 4.410 . 5.070 3.933 2.653 5.117 0.047 2 0 "[ . 1 . 2]" 1
606 1 38 ASP HA 1 39 LEU QD 3.870 . 4.450 3.201 2.472 4.283 . 0 0 "[ . 1 . 2]" 1
607 1 38 ASP HA 1 39 LEU MD2 4.410 . 5.070 3.950 2.495 5.103 0.033 13 0 "[ . 1 . 2]" 1
608 1 38 ASP QB 1 39 LEU H 4.390 . 5.050 3.584 2.694 4.034 . 0 0 "[ . 1 . 2]" 1
609 1 38 ASP HB2 1 39 LEU H 5.110 . 5.880 4.080 2.738 4.668 . 0 0 "[ . 1 . 2]" 1
610 1 38 ASP HB3 1 39 LEU H 5.110 . 5.880 4.096 3.539 4.529 . 0 0 "[ . 1 . 2]" 1
611 1 39 LEU H 1 39 LEU QB 3.250 . 3.740 2.772 2.370 3.326 . 0 0 "[ . 1 . 2]" 1
612 1 39 LEU H 1 39 LEU MD1 5.020 . 5.770 2.744 1.731 3.927 0.069 13 0 "[ . 1 . 2]" 1
613 1 39 LEU H 1 39 LEU QD 4.350 . 5.000 2.092 1.676 3.306 0.124 16 0 "[ . 1 . 2]" 1
614 1 39 LEU H 1 39 LEU MD2 5.020 . 5.770 2.667 1.798 4.127 0.002 10 0 "[ . 1 . 2]" 1
615 1 39 LEU H 1 39 LEU HG 4.440 . 5.110 3.848 2.409 4.386 . 0 0 "[ . 1 . 2]" 1
616 1 39 LEU H 1 54 PRO HA 4.810 . 5.530 4.767 3.556 5.647 0.117 17 0 "[ . 1 . 2]" 1
617 1 39 LEU H 1 54 PRO QB 5.340 . 6.140 4.837 2.987 6.042 . 0 0 "[ . 1 . 2]" 1
618 1 39 LEU HA 1 39 LEU QD 3.420 . 3.930 2.565 1.917 3.419 . 0 0 "[ . 1 . 2]" 1
619 1 39 LEU QB 1 39 LEU HG 2.520 . 2.900 2.198 2.155 2.435 . 0 0 "[ . 1 . 2]" 1
620 1 39 LEU QD 1 54 PRO HA 5.440 . 6.260 4.267 1.966 5.891 . 0 0 "[ . 1 . 2]" 1
621 1 40 HIS HA 1 40 HIS HD2 4.550 . 5.230 3.823 2.459 4.834 . 0 0 "[ . 1 . 2]" 1
622 1 42 GLU H 1 42 GLU QB 3.690 . 4.240 2.516 2.228 3.352 . 0 0 "[ . 1 . 2]" 1
623 1 42 GLU H 1 42 GLU HG2 5.270 . 6.060 3.924 2.079 5.162 . 0 0 "[ . 1 . 2]" 1
624 1 42 GLU H 1 42 GLU QG 4.540 . 5.220 3.375 1.899 4.369 . 0 0 "[ . 1 . 2]" 1
625 1 42 GLU H 1 42 GLU HG3 5.270 . 6.060 3.905 1.907 5.103 . 0 0 "[ . 1 . 2]" 1
626 1 50 PRO HA 1 51 ALA H 3.560 . 4.090 3.478 3.309 3.612 . 0 0 "[ . 1 . 2]" 1
627 1 50 PRO QB 1 51 ALA H 3.860 . 4.440 3.341 2.776 3.718 . 0 0 "[ . 1 . 2]" 1
628 1 50 PRO HB2 1 51 ALA H 4.420 . 5.080 3.498 2.840 3.988 . 0 0 "[ . 1 . 2]" 1
629 1 50 PRO HB3 1 51 ALA H 4.420 . 5.080 4.270 3.914 4.457 . 0 0 "[ . 1 . 2]" 1
630 1 50 PRO QD 1 51 ALA H 4.190 . 4.820 2.785 1.809 3.115 . 0 0 "[ . 1 . 2]" 1
631 1 50 PRO QD 1 51 ALA MB 5.350 . 6.150 4.223 3.149 5.020 . 0 0 "[ . 1 . 2]" 1
632 1 50 PRO HG2 1 51 ALA HA 4.940 . 5.680 4.739 4.101 5.199 . 0 0 "[ . 1 . 2]" 1
633 1 50 PRO HG2 1 51 ALA MB 3.960 . 4.550 3.644 2.951 4.114 . 0 0 "[ . 1 . 2]" 1
634 1 51 ALA H 1 51 ALA MB 3.390 . 3.900 2.500 2.233 2.923 . 0 0 "[ . 1 . 2]" 1
635 1 51 ALA MB 1 52 GLN H 4.050 . 4.660 3.134 2.266 3.721 . 0 0 "[ . 1 . 2]" 1
636 1 51 ALA MB 1 52 GLN HA 5.080 . 5.840 4.216 3.924 4.481 . 0 0 "[ . 1 . 2]" 1
637 1 52 GLN H 1 52 GLN QB 3.650 . 4.200 2.574 2.254 3.421 . 0 0 "[ . 1 . 2]" 1
638 1 52 GLN H 1 52 GLN HG2 5.290 . 6.080 3.625 1.892 5.234 . 0 0 "[ . 1 . 2]" 1
639 1 52 GLN H 1 52 GLN QG 4.500 . 5.180 3.131 1.783 4.472 0.017 10 0 "[ . 1 . 2]" 1
640 1 52 GLN H 1 52 GLN HG3 5.290 . 6.080 3.819 1.790 4.875 0.010 10 0 "[ . 1 . 2]" 1
641 1 53 HIS HB3 1 54 PRO QB 5.340 . 6.140 4.973 4.647 5.386 . 0 0 "[ . 1 . 2]" 1
642 1 53 HIS HB3 1 63 PRO HB3 5.500 . 6.330 4.650 3.258 5.834 . 0 0 "[ . 1 . 2]" 1
643 1 54 PRO HG2 1 55 ASN HA 4.360 . 5.010 4.238 4.013 4.585 . 0 0 "[ . 1 . 2]" 1
644 1 55 ASN H 1 55 ASN HB2 4.140 . 4.760 3.427 3.339 3.514 . 0 0 "[ . 1 . 2]" 1
645 1 55 ASN H 1 55 ASN HB3 4.020 . 4.620 4.054 4.024 4.096 . 0 0 "[ . 1 . 2]" 1
646 1 55 ASN H 1 56 PRO HB3 5.500 . 6.330 5.598 5.245 6.263 . 0 0 "[ . 1 . 2]" 1
647 1 55 ASN H 1 63 PRO HG2 5.500 . 6.330 3.498 2.384 4.722 . 0 0 "[ . 1 . 2]" 1
648 1 55 ASN HA 1 55 ASN HD21 3.880 . 4.460 3.419 1.789 4.083 0.011 12 0 "[ . 1 . 2]" 1
649 1 55 ASN HA 1 55 ASN HD22 4.290 . 4.930 4.069 3.384 4.431 . 0 0 "[ . 1 . 2]" 1
650 1 55 ASN HA 1 63 PRO HD3 3.130 . 3.600 2.542 2.007 3.303 . 0 0 "[ . 1 . 2]" 1
651 1 55 ASN HA 1 63 PRO HG2 5.020 . 5.770 3.473 2.431 5.113 . 0 0 "[ . 1 . 2]" 1
652 1 55 ASN HA 1 63 PRO HG3 4.210 . 4.840 2.509 1.814 3.615 . 0 0 "[ . 1 . 2]" 1
653 1 55 ASN HB2 1 56 PRO HA 5.500 . 6.330 5.317 5.134 5.419 . 0 0 "[ . 1 . 2]" 1
654 1 55 ASN HB3 1 55 ASN HD22 3.690 . 4.240 3.508 3.466 3.752 . 0 0 "[ . 1 . 2]" 1
655 1 55 ASN HB3 1 56 PRO HA 5.020 . 5.770 5.220 5.088 5.347 . 0 0 "[ . 1 . 2]" 1
656 1 55 ASN HB3 1 63 PRO HD3 4.550 . 5.230 3.814 2.885 4.831 . 0 0 "[ . 1 . 2]" 1
657 1 55 ASN HD21 1 62 GLU HA 3.920 . 4.510 3.398 2.267 4.518 0.008 20 0 "[ . 1 . 2]" 1
658 1 55 ASN HD21 1 62 GLU HB3 5.380 . 6.190 4.195 3.584 5.175 . 0 0 "[ . 1 . 2]" 1
659 1 55 ASN HD21 1 63 PRO HD2 4.920 . 5.660 3.919 2.387 4.992 . 0 0 "[ . 1 . 2]" 1
660 1 55 ASN HD21 1 63 PRO HD3 4.630 . 5.320 3.343 2.005 4.316 . 0 0 "[ . 1 . 2]" 1
661 1 55 ASN HD21 1 63 PRO HG2 4.870 . 5.600 5.173 4.135 5.683 0.083 20 0 "[ . 1 . 2]" 1
662 1 55 ASN HD22 1 62 GLU HA 4.470 . 5.140 3.698 2.239 4.946 . 0 0 "[ . 1 . 2]" 1
663 1 55 ASN HD22 1 62 GLU HB3 4.790 . 5.510 3.821 2.770 4.725 . 0 0 "[ . 1 . 2]" 1
664 1 55 ASN HD22 1 62 GLU HG3 5.500 . 6.330 5.945 5.176 6.394 0.064 11 0 "[ . 1 . 2]" 1
665 1 55 ASN HD22 1 63 PRO HD3 4.540 . 5.220 3.567 2.425 4.649 . 0 0 "[ . 1 . 2]" 1
666 1 56 PRO HA 1 57 CYS H 3.450 . 3.970 3.426 3.395 3.456 . 0 0 "[ . 1 . 2]" 1
667 1 56 PRO HB2 1 57 CYS H 3.840 . 4.420 3.639 3.179 3.836 . 0 0 "[ . 1 . 2]" 1
668 1 56 PRO HB2 1 57 CYS HA 4.410 . 5.070 4.214 3.980 4.340 . 0 0 "[ . 1 . 2]" 1
669 1 56 PRO QD 1 57 CYS H 4.500 . 5.180 2.736 2.560 3.054 . 0 0 "[ . 1 . 2]" 1
670 1 56 PRO QD 1 63 PRO HB3 4.120 . 4.740 3.182 2.338 3.925 . 0 0 "[ . 1 . 2]" 1
671 1 56 PRO QG 1 57 CYS H 4.010 . 4.610 3.013 2.689 4.173 . 0 0 "[ . 1 . 2]" 1
672 1 59 PRO HA 1 60 GLY H 3.290 . 3.780 2.179 2.162 2.219 . 0 0 "[ . 1 . 2]" 1
673 1 59 PRO HA 1 60 GLY HA2 4.500 . 5.180 4.467 4.421 4.508 . 0 0 "[ . 1 . 2]" 1
674 1 59 PRO HA 1 61 TYR H 3.980 . 4.580 3.405 3.258 3.613 . 0 0 "[ . 1 . 2]" 1
675 1 59 PRO HA 1 61 TYR HB2 5.500 . 6.330 5.378 5.052 5.787 . 0 0 "[ . 1 . 2]" 1
676 1 59 PRO QB 1 60 GLY H 4.010 . 4.610 3.257 3.096 3.314 . 0 0 "[ . 1 . 2]" 1
677 1 60 GLY H 1 61 TYR H 4.070 . 4.680 2.599 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
678 1 60 GLY HA2 1 61 TYR QD 4.920 . 5.660 4.913 4.620 5.304 . 0 0 "[ . 1 . 2]" 1
679 1 60 GLY HA3 1 61 TYR HB2 5.050 . 5.810 5.056 4.829 5.271 . 0 0 "[ . 1 . 2]" 1
680 1 60 GLY HA3 1 61 TYR QD 5.020 . 5.770 3.676 3.280 4.106 . 0 0 "[ . 1 . 2]" 1
681 1 61 TYR H 1 61 TYR HB2 3.560 . 4.090 2.587 2.422 2.735 . 0 0 "[ . 1 . 2]" 1
682 1 61 TYR H 1 61 TYR HB3 3.870 . 4.450 3.747 3.639 3.839 . 0 0 "[ . 1 . 2]" 1
683 1 61 TYR H 1 61 TYR QD 3.610 . 4.150 2.857 2.313 3.302 . 0 0 "[ . 1 . 2]" 1
684 1 61 TYR HA 1 62 GLU H 3.150 . 3.620 2.271 2.136 2.443 . 0 0 "[ . 1 . 2]" 1
685 1 61 TYR HB2 1 62 GLU H 4.130 . 4.750 4.014 3.629 4.473 . 0 0 "[ . 1 . 2]" 1
686 1 61 TYR HB3 1 62 GLU H 3.810 . 4.380 2.922 2.412 3.773 . 0 0 "[ . 1 . 2]" 1
687 1 61 TYR QD 1 62 GLU H 4.460 . 5.130 3.904 3.521 4.499 . 0 0 "[ . 1 . 2]" 1
688 1 62 GLU H 1 62 GLU HB2 4.130 . 4.750 3.796 3.640 3.931 . 0 0 "[ . 1 . 2]" 1
689 1 62 GLU H 1 62 GLU HG2 3.690 . 4.240 2.194 1.847 2.470 . 0 0 "[ . 1 . 2]" 1
690 1 62 GLU H 1 62 GLU HG3 4.460 . 5.130 3.211 2.902 3.485 . 0 0 "[ . 1 . 2]" 1
691 1 62 GLU HA 1 62 GLU HG3 4.020 . 4.620 3.809 3.707 3.866 . 0 0 "[ . 1 . 2]" 1
692 1 62 GLU HA 1 63 PRO HD2 3.170 . 3.650 2.745 2.283 3.221 . 0 0 "[ . 1 . 2]" 1
693 1 62 GLU HA 1 63 PRO HD3 2.780 . 3.200 2.116 1.851 2.433 . 0 0 "[ . 1 . 2]" 1
694 1 62 GLU HA 1 63 PRO HG2 5.500 . 6.330 4.565 4.435 4.679 . 0 0 "[ . 1 . 2]" 1
695 1 62 GLU HB2 1 63 PRO HD2 2.980 . 3.430 2.380 2.052 2.874 . 0 0 "[ . 1 . 2]" 1
696 1 62 GLU HB3 1 62 GLU HG2 2.630 . 3.020 2.493 2.416 2.537 . 0 0 "[ . 1 . 2]" 1
697 1 62 GLU HB3 1 63 PRO HD2 3.960 . 4.550 3.760 3.393 4.165 . 0 0 "[ . 1 . 2]" 1
698 1 62 GLU HG2 1 63 PRO HD2 4.810 . 5.530 5.048 4.718 5.494 . 0 0 "[ . 1 . 2]" 1
699 1 62 GLU HG2 1 63 PRO HD3 5.500 . 6.330 5.436 5.045 5.854 . 0 0 "[ . 1 . 2]" 1
700 1 62 GLU HG2 1 64 ASP HA 5.500 . 6.330 6.130 5.477 6.372 0.042 1 0 "[ . 1 . 2]" 1
701 1 62 GLU HG3 1 63 PRO HA 5.500 . 6.330 4.886 4.514 5.117 . 0 0 "[ . 1 . 2]" 1
702 1 62 GLU HG3 1 63 PRO HD2 4.750 . 5.460 4.134 3.739 4.749 . 0 0 "[ . 1 . 2]" 1
703 1 62 GLU HG3 1 63 PRO HD3 4.660 . 5.360 4.915 4.399 5.384 0.024 4 0 "[ . 1 . 2]" 1
704 1 63 PRO HA 1 64 ASP H 2.810 . 3.230 2.170 2.145 2.195 . 0 0 "[ . 1 . 2]" 1
705 1 63 PRO HA 1 64 ASP HB3 4.880 . 5.610 4.621 4.518 4.727 . 0 0 "[ . 1 . 2]" 1
706 1 63 PRO HB2 1 64 ASP H 3.580 . 4.120 3.700 3.342 4.015 . 0 0 "[ . 1 . 2]" 1
707 1 63 PRO HB2 1 65 ASP H 5.500 . 6.330 5.309 4.608 5.810 . 0 0 "[ . 1 . 2]" 1
708 1 63 PRO HB3 1 64 ASP H 4.150 . 4.770 3.858 3.504 4.099 . 0 0 "[ . 1 . 2]" 1
709 1 64 ASP H 1 64 ASP HB2 3.240 . 3.730 2.799 2.630 3.077 . 0 0 "[ . 1 . 2]" 1
710 1 64 ASP H 1 64 ASP HB3 3.200 . 3.680 2.503 2.431 2.623 . 0 0 "[ . 1 . 2]" 1
711 1 64 ASP H 1 65 ASP HA 5.410 . 6.220 5.169 4.960 5.340 . 0 0 "[ . 1 . 2]" 1
712 1 64 ASP HA 1 65 ASP H 2.800 . 3.220 2.201 2.154 2.281 . 0 0 "[ . 1 . 2]" 1
713 1 64 ASP HB2 1 65 ASP H 4.210 . 4.840 4.289 4.091 4.477 . 0 0 "[ . 1 . 2]" 1
714 1 65 ASP H 1 65 ASP HB2 3.070 . 3.530 2.538 2.396 2.641 . 0 0 "[ . 1 . 2]" 1
715 1 65 ASP H 1 66 GLN H 4.440 . 5.110 4.329 4.135 4.496 . 0 0 "[ . 1 . 2]" 1
716 1 65 ASP H 1 66 GLN HA 5.360 . 6.160 5.228 5.101 5.347 . 0 0 "[ . 1 . 2]" 1
717 1 65 ASP H 1 66 GLN HB3 5.500 . 6.330 5.636 5.245 6.185 . 0 0 "[ . 1 . 2]" 1
718 1 65 ASP H 1 66 GLN HG2 5.500 . 6.330 5.807 5.316 6.337 0.007 7 0 "[ . 1 . 2]" 1
719 1 65 ASP HA 1 66 GLN H 3.280 . 3.770 2.175 2.114 2.221 . 0 0 "[ . 1 . 2]" 1
720 1 65 ASP HA 1 66 GLN HG2 4.620 . 5.310 3.960 3.584 4.344 . 0 0 "[ . 1 . 2]" 1
721 1 65 ASP HB2 1 66 GLN HA 5.500 . 6.330 4.860 4.587 5.200 . 0 0 "[ . 1 . 2]" 1
722 1 65 ASP HB3 1 66 GLN H 3.750 . 4.310 3.695 3.318 3.857 . 0 0 "[ . 1 . 2]" 1
723 1 65 ASP HB3 1 66 GLN HA 5.500 . 6.330 4.789 4.438 5.079 . 0 0 "[ . 1 . 2]" 1
724 1 66 GLN H 1 66 GLN HB2 4.010 . 4.610 3.719 3.600 3.802 . 0 0 "[ . 1 . 2]" 1
725 1 66 GLN H 1 66 GLN HB3 3.330 . 3.830 3.049 2.816 3.267 . 0 0 "[ . 1 . 2]" 1
726 1 66 GLN H 1 66 GLN HG2 3.570 . 4.110 2.093 1.794 2.375 0.006 1 0 "[ . 1 . 2]" 1
727 1 66 GLN H 1 66 GLN HG3 4.110 . 4.730 2.996 2.732 3.279 . 0 0 "[ . 1 . 2]" 1
728 1 66 GLN HA 1 66 GLN HE21 4.780 . 5.500 4.295 4.140 4.961 . 0 0 "[ . 1 . 2]" 1
729 1 66 GLN HA 1 66 GLN HG2 3.810 . 4.380 3.736 3.662 3.839 . 0 0 "[ . 1 . 2]" 1
730 1 66 GLN HA 1 66 GLN HG3 3.940 . 4.530 3.800 3.695 3.857 . 0 0 "[ . 1 . 2]" 1
731 1 66 GLN HA 1 67 ASP H 3.000 . 3.450 2.190 2.127 2.330 . 0 0 "[ . 1 . 2]" 1
732 1 66 GLN HA 1 68 SER H 5.190 . 5.970 4.731 3.110 6.194 0.224 18 0 "[ . 1 . 2]" 1
733 1 66 GLN HB2 1 66 GLN HE22 4.710 . 5.420 3.623 3.391 4.351 . 0 0 "[ . 1 . 2]" 1
734 1 66 GLN HB2 1 66 GLN HG3 2.990 . 3.440 2.447 2.400 2.502 . 0 0 "[ . 1 . 2]" 1
735 1 66 GLN HB2 1 67 ASP H 4.510 . 5.190 3.506 2.612 3.994 . 0 0 "[ . 1 . 2]" 1
736 1 66 GLN HB3 1 66 GLN HE21 4.330 . 4.980 2.425 1.784 2.831 0.016 6 0 "[ . 1 . 2]" 1
737 1 66 GLN HB3 1 66 GLN HE22 5.080 . 5.840 3.689 3.396 3.905 . 0 0 "[ . 1 . 2]" 1
738 1 66 GLN HG2 1 67 ASP H 5.500 . 6.330 5.152 4.842 5.308 . 0 0 "[ . 1 . 2]" 1
739 1 66 GLN HG3 1 67 ASP H 4.850 . 5.580 4.558 3.945 4.863 . 0 0 "[ . 1 . 2]" 1
740 1 66 GLN HG3 1 67 ASP HA 4.710 . 5.420 4.752 3.957 5.406 . 0 0 "[ . 1 . 2]" 1
741 1 67 ASP H 1 68 SER H 3.770 . 4.340 3.454 2.310 4.375 0.035 18 0 "[ . 1 . 2]" 1
742 1 67 ASP HA 1 68 SER H 3.380 . 3.890 2.783 2.156 3.593 . 0 0 "[ . 1 . 2]" 1
743 1 67 ASP QB 1 68 SER H 4.240 . 4.880 3.260 1.793 3.948 0.007 19 0 "[ . 1 . 2]" 1
744 1 67 ASP QB 1 68 SER HA 4.970 . 5.720 4.346 3.835 4.776 . 0 0 "[ . 1 . 2]" 1
745 1 67 ASP QB 1 69 CYS H 5.340 . 6.140 4.624 3.349 6.199 0.059 1 0 "[ . 1 . 2]" 1
746 1 67 ASP HB2 1 68 SER H 4.830 . 5.550 3.766 2.089 4.491 . 0 0 "[ . 1 . 2]" 1
747 1 67 ASP HB3 1 68 SER H 4.830 . 5.550 3.799 1.802 4.458 . 0 0 "[ . 1 . 2]" 1
748 1 68 SER H 1 68 SER QB 3.220 . 3.700 2.669 2.257 3.342 . 0 0 "[ . 1 . 2]" 1
749 1 68 SER H 1 69 CYS H 4.250 . 4.890 3.759 2.425 4.576 . 0 0 "[ . 1 . 2]" 1
750 1 68 SER HA 1 69 CYS H 3.550 . 4.080 2.653 2.140 3.597 . 0 0 "[ . 1 . 2]" 1
751 1 68 SER QB 1 69 CYS H 4.120 . 4.740 3.246 2.054 4.060 . 0 0 "[ . 1 . 2]" 1
752 1 68 SER QB 1 69 CYS HA 4.870 . 5.600 4.525 3.741 4.883 . 0 0 "[ . 1 . 2]" 1
753 1 68 SER HB2 1 69 CYS H 4.790 . 5.510 3.744 2.067 4.654 . 0 0 "[ . 1 . 2]" 1
754 1 68 SER HB3 1 69 CYS H 4.790 . 5.510 3.852 2.387 4.622 . 0 0 "[ . 1 . 2]" 1
755 1 69 CYS H 1 69 CYS HB2 3.780 . 4.350 3.059 2.223 3.966 . 0 0 "[ . 1 . 2]" 1
756 1 69 CYS H 1 69 CYS HB3 3.780 . 4.350 3.285 2.527 4.064 . 0 0 "[ . 1 . 2]" 1
757 1 69 CYS H 1 70 VAL H 4.150 . 4.770 3.092 2.289 4.495 . 0 0 "[ . 1 . 2]" 1
758 1 69 CYS QB 1 70 VAL H 3.970 . 4.570 3.275 2.350 3.960 . 0 0 "[ . 1 . 2]" 1
759 1 69 CYS QB 1 70 VAL QG 3.910 . 4.500 3.579 2.359 4.512 0.012 20 0 "[ . 1 . 2]" 1
760 1 69 CYS HB2 1 70 VAL H 4.580 . 5.270 3.681 2.373 4.546 . 0 0 "[ . 1 . 2]" 1
761 1 69 CYS HB3 1 70 VAL H 4.580 . 5.270 3.898 2.449 4.496 . 0 0 "[ . 1 . 2]" 1
762 1 70 VAL H 1 70 VAL HB 4.010 . 4.610 3.336 2.497 3.892 . 0 0 "[ . 1 . 2]" 1
763 1 70 VAL H 1 70 VAL MG1 3.930 . 4.520 2.850 1.878 4.067 . 0 0 "[ . 1 . 2]" 1
764 1 70 VAL H 1 70 VAL QG 3.230 . 3.710 2.191 1.824 2.809 . 0 0 "[ . 1 . 2]" 1
765 1 70 VAL H 1 70 VAL MG2 3.930 . 4.520 2.664 1.888 4.106 . 0 0 "[ . 1 . 2]" 1
766 1 70 VAL HA 1 70 VAL MG1 3.550 . 4.080 2.579 2.280 3.229 . 0 0 "[ . 1 . 2]" 1
767 1 70 VAL HA 1 70 VAL MG2 3.550 . 4.080 2.812 2.328 3.227 . 0 0 "[ . 1 . 2]" 1
768 1 70 VAL HA 1 71 ASP H 2.820 . 3.240 2.304 2.150 2.689 . 0 0 "[ . 1 . 2]" 1
769 1 70 VAL HB 1 71 ASP H 4.150 . 4.770 3.414 1.938 4.463 . 0 0 "[ . 1 . 2]" 1
770 1 70 VAL QG 1 71 ASP H 3.460 . 3.980 2.939 1.895 3.744 . 0 0 "[ . 1 . 2]" 1
771 1 70 VAL QG 1 71 ASP QB 4.410 . 5.070 4.200 3.374 4.799 . 0 0 "[ . 1 . 2]" 1
772 1 70 VAL MG1 1 71 ASP H 4.560 . 5.240 3.562 2.476 4.251 . 0 0 "[ . 1 . 2]" 1
773 1 70 VAL MG2 1 71 ASP H 4.560 . 5.240 3.424 1.905 4.313 . 0 0 "[ . 1 . 2]" 1
774 1 71 ASP H 1 71 ASP HB2 3.770 . 4.340 3.047 2.311 3.876 . 0 0 "[ . 1 . 2]" 1
775 1 71 ASP H 1 71 ASP QB 3.130 . 3.600 2.609 2.284 3.145 . 0 0 "[ . 1 . 2]" 1
776 1 71 ASP H 1 71 ASP HB3 3.770 . 4.340 3.093 2.492 3.683 . 0 0 "[ . 1 . 2]" 1
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