NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400188 |
1ujx   |
10104 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ujx
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 1833
_Distance_constraint_stats_list.Viol_count 2427
_Distance_constraint_stats_list.Viol_total 2527.690
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0521
_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 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 0.102 0.098 18 0 "[ . 1 . 2]"
1 11 LEU 0.135 0.098 18 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.354 0.111 9 0 "[ . 1 . 2]"
1 14 ARG 1.255 0.269 6 0 "[ . 1 . 2]"
1 15 GLY 0.518 0.264 19 0 "[ . 1 . 2]"
1 16 ARG 0.514 0.060 14 0 "[ . 1 . 2]"
1 17 LEU 4.474 0.157 8 0 "[ . 1 . 2]"
1 18 TRP 3.773 0.975 1 1 "[+ . 1 . 2]"
1 19 LEU 0.327 0.040 19 0 "[ . 1 . 2]"
1 20 GLN 1.138 0.975 1 1 "[+ . 1 . 2]"
1 21 SER 2.658 0.487 19 0 "[ . 1 . 2]"
1 22 PRO 1.781 0.232 19 0 "[ . 1 . 2]"
1 23 THR 3.158 0.747 19 1 "[ . 1 . +2]"
1 24 GLY 1.210 0.747 19 1 "[ . 1 . +2]"
1 25 GLY 3.039 0.360 19 0 "[ . 1 . 2]"
1 26 PRO 3.851 0.487 19 0 "[ . 1 . 2]"
1 27 PRO 0.552 0.270 19 0 "[ . 1 . 2]"
1 28 PRO 0.062 0.017 10 0 "[ . 1 . 2]"
1 29 ILE 0.244 0.020 13 0 "[ . 1 . 2]"
1 30 PHE 0.200 0.022 16 0 "[ . 1 . 2]"
1 31 LEU 0.913 0.085 20 0 "[ . 1 . 2]"
1 32 PRO 0.569 0.085 20 0 "[ . 1 . 2]"
1 33 SER 4.203 0.401 12 0 "[ . 1 . 2]"
1 34 ASP 0.945 0.206 18 0 "[ . 1 . 2]"
1 35 GLY 0.113 0.021 16 0 "[ . 1 . 2]"
1 36 GLN 1.026 0.206 18 0 "[ . 1 . 2]"
1 37 ALA 5.561 0.382 2 0 "[ . 1 . 2]"
1 38 LEU 0.361 0.033 6 0 "[ . 1 . 2]"
1 39 VAL 1.881 0.139 12 0 "[ . 1 . 2]"
1 40 LEU 0.563 0.058 18 0 "[ . 1 . 2]"
1 41 GLY 0.297 0.037 13 0 "[ . 1 . 2]"
1 42 ARG 4.945 0.578 12 1 "[ . 1 + . 2]"
1 43 GLY 0.951 0.210 13 0 "[ . 1 . 2]"
1 44 PRO 0.501 0.465 17 0 "[ . 1 . 2]"
1 45 LEU 4.641 0.144 7 0 "[ . 1 . 2]"
1 46 THR 7.244 0.267 19 0 "[ . 1 . 2]"
1 47 GLN 3.474 0.628 17 1 "[ . 1 . + 2]"
1 48 VAL 2.359 0.088 5 0 "[ . 1 . 2]"
1 49 THR 2.010 0.154 20 0 "[ . 1 . 2]"
1 50 ASP 0.015 0.015 4 0 "[ . 1 . 2]"
1 51 ARG 0.883 0.219 17 0 "[ . 1 . 2]"
1 52 LYS 0.352 0.044 10 0 "[ . 1 . 2]"
1 53 CYS 2.528 0.578 12 1 "[ . 1 + . 2]"
1 54 SER 4.446 0.617 19 4 "[ *.* 1 - . +2]"
1 55 ARG 0.433 0.044 15 0 "[ . 1 . 2]"
1 56 ASN 0.911 0.143 16 0 "[ . 1 . 2]"
1 57 GLN 3.647 0.617 19 4 "[ *.* 1 - . +2]"
1 58 VAL 0.514 0.117 18 0 "[ . 1 . 2]"
1 59 GLU 4.838 0.382 2 0 "[ . 1 . 2]"
1 60 LEU 0.447 0.048 4 0 "[ . 1 . 2]"
1 61 ILE 4.121 0.197 14 0 "[ . 1 . 2]"
1 62 ALA 2.141 0.087 20 0 "[ . 1 . 2]"
1 63 ASP 1.496 0.092 3 0 "[ . 1 . 2]"
1 64 PRO 5.447 0.401 12 0 "[ . 1 . 2]"
1 65 GLU 0.424 0.125 20 0 "[ . 1 . 2]"
1 66 SER 0.779 0.281 13 0 "[ . 1 . 2]"
1 67 ARG 1.577 0.369 6 0 "[ . 1 . 2]"
1 68 THR 1.420 0.281 13 0 "[ . 1 . 2]"
1 69 VAL 0.913 0.108 20 0 "[ . 1 . 2]"
1 70 ALA 0.043 0.020 2 0 "[ . 1 . 2]"
1 71 VAL 0.102 0.028 18 0 "[ . 1 . 2]"
1 72 LYS 8.722 0.897 3 4 "[ + . *-*1 . 2]"
1 73 GLN 6.285 0.815 18 1 "[ . 1 . + 2]"
1 74 LEU 4.727 0.897 3 4 "[ + . *-*1 . 2]"
1 75 GLY 3.844 0.660 18 1 "[ . 1 . + 2]"
1 76 VAL 3.495 0.147 8 0 "[ . 1 . 2]"
1 77 ASN 2.383 0.147 8 0 "[ . 1 . 2]"
1 78 PRO 2.052 0.344 20 0 "[ . 1 . 2]"
1 79 SER 3.622 0.815 18 2 "[ . 1 . + -]"
1 80 THR 0.903 0.104 20 0 "[ . 1 . 2]"
1 81 VAL 0.071 0.019 20 0 "[ . 1 . 2]"
1 82 GLY 1.026 0.066 6 0 "[ . 1 . 2]"
1 83 VAL 0.984 0.066 6 0 "[ . 1 . 2]"
1 84 GLN 0.524 0.069 4 0 "[ . 1 . 2]"
1 85 GLU 5.998 0.527 2 4 "[ + * * 1 - . 2]"
1 86 LEU 4.585 0.747 20 1 "[ . 1 . +]"
1 87 LYS 5.023 0.324 15 0 "[ . 1 . 2]"
1 88 PRO 2.725 0.741 18 1 "[ . 1 . + 2]"
1 89 GLY 2.797 0.735 18 3 "[ . -*1 . + 2]"
1 90 LEU 6.097 0.324 15 0 "[ . 1 . 2]"
1 91 SER 1.695 0.066 3 0 "[ . 1 . 2]"
1 92 GLY 0.182 0.066 3 0 "[ . 1 . 2]"
1 93 SER 0.026 0.007 3 0 "[ . 1 . 2]"
1 94 LEU 0.446 0.034 13 0 "[ . 1 . 2]"
1 95 SER 0.928 0.467 19 0 "[ . 1 . 2]"
1 96 LEU 2.114 0.467 19 0 "[ . 1 . 2]"
1 97 GLY 0.606 0.046 13 0 "[ . 1 . 2]"
1 98 ASP 0.219 0.016 5 0 "[ . 1 . 2]"
1 99 VAL 1.849 0.119 20 0 "[ . 1 . 2]"
1 100 LEU 2.588 0.107 20 0 "[ . 1 . 2]"
1 101 TYR 4.568 0.282 12 0 "[ . 1 . 2]"
1 102 LEU 5.137 0.118 6 0 "[ . 1 . 2]"
1 103 VAL 8.239 0.679 16 5 "[ . -* * *.+ 2]"
1 104 ASN 9.504 0.679 16 5 "[ . -* * *.+ 2]"
1 105 GLY 3.002 0.282 12 0 "[ . 1 . 2]"
1 106 LEU 2.069 0.300 10 0 "[ . 1 . 2]"
1 107 TYR 3.806 0.119 20 0 "[ . 1 . 2]"
1 108 PRO 1.126 0.045 2 0 "[ . 1 . 2]"
1 109 LEU 0.933 0.107 20 0 "[ . 1 . 2]"
1 110 THR 0.124 0.034 13 0 "[ . 1 . 2]"
1 111 LEU 1.244 0.119 20 0 "[ . 1 . 2]"
1 112 ARG 0.172 0.017 14 0 "[ . 1 . 2]"
1 113 TRP 0.126 0.021 9 0 "[ . 1 . 2]"
1 114 SER 1.198 0.341 7 0 "[ . 1 . 2]"
1 115 GLY 1.305 0.341 7 0 "[ . 1 . 2]"
1 116 PRO 0.264 0.121 1 0 "[ . 1 . 2]"
1 117 SER 0.000 0.000 15 0 "[ . 1 . 2]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 GLY 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 8 MET H 1 8 MET HG3 . . 5.490 4.171 3.331 5.146 . 0 0 "[ . 1 . 2]" 1
2 1 9 SER QB 1 10 GLN H . . 5.040 3.253 2.151 4.036 . 0 0 "[ . 1 . 2]" 1
3 1 10 GLN H 1 10 GLN QG . . 4.960 3.571 1.969 4.365 . 0 0 "[ . 1 . 2]" 1
4 1 10 GLN H 1 11 LEU H . . 4.110 3.593 1.978 4.081 . 0 0 "[ . 1 . 2]" 1
5 1 10 GLN HA 1 11 LEU H . . 3.450 2.429 2.213 3.548 0.098 18 0 "[ . 1 . 2]" 1
6 1 10 GLN HB2 1 11 LEU H . . 4.890 4.295 2.153 4.735 . 0 0 "[ . 1 . 2]" 1
7 1 10 GLN HB3 1 11 LEU H . . 5.230 4.154 2.073 4.725 . 0 0 "[ . 1 . 2]" 1
8 1 11 LEU H 1 11 LEU HB2 . . 4.040 2.510 2.006 3.414 . 0 0 "[ . 1 . 2]" 1
9 1 11 LEU H 1 11 LEU MD2 . . 5.230 4.044 3.227 4.467 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU H 1 11 LEU HG . . 3.480 2.983 1.981 3.448 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU HA 1 11 LEU MD2 . . 3.430 2.603 2.035 3.463 0.033 3 0 "[ . 1 . 2]" 1
12 1 11 LEU HA 1 11 LEU HG . . 3.430 2.571 2.156 3.093 . 0 0 "[ . 1 . 2]" 1
13 1 11 LEU HB3 1 12 GLY H . . 4.660 3.208 2.256 4.283 . 0 0 "[ . 1 . 2]" 1
14 1 11 LEU MD1 1 12 GLY H . . 5.500 4.744 3.947 5.387 . 0 0 "[ . 1 . 2]" 1
15 1 12 GLY H 1 13 SER H . . 4.330 3.596 2.232 4.330 . 0 0 "[ . 1 . 2]" 1
16 1 12 GLY QA 1 13 SER H . . 3.370 2.325 2.174 2.614 . 0 0 "[ . 1 . 2]" 1
17 1 13 SER H 1 13 SER HB3 . . 4.120 3.262 2.293 4.081 . 0 0 "[ . 1 . 2]" 1
18 1 13 SER H 1 14 ARG H . . 5.070 4.009 2.008 4.644 . 0 0 "[ . 1 . 2]" 1
19 1 13 SER HA 1 13 SER HB3 . . 3.030 2.642 2.385 3.051 0.021 20 0 "[ . 1 . 2]" 1
20 1 13 SER HA 1 14 ARG H . . 3.520 2.638 2.215 3.631 0.111 9 0 "[ . 1 . 2]" 1
21 1 13 SER HB2 1 14 ARG H . . 4.330 3.651 2.296 4.320 . 0 0 "[ . 1 . 2]" 1
22 1 13 SER HB3 1 14 ARG H . . 4.320 3.429 2.254 4.319 . 0 0 "[ . 1 . 2]" 1
23 1 14 ARG H 1 14 ARG QB . . 3.720 2.605 2.155 3.337 . 0 0 "[ . 1 . 2]" 1
24 1 14 ARG H 1 14 ARG QD . . 5.040 3.872 2.247 4.775 . 0 0 "[ . 1 . 2]" 1
25 1 14 ARG H 1 14 ARG HG2 . . 4.620 3.776 2.241 4.611 . 0 0 "[ . 1 . 2]" 1
26 1 14 ARG H 1 14 ARG HG3 . . 3.690 3.196 1.995 3.959 0.269 6 0 "[ . 1 . 2]" 1
27 1 14 ARG HA 1 14 ARG QD . . 4.210 3.759 2.695 4.194 . 0 0 "[ . 1 . 2]" 1
28 1 14 ARG HA 1 14 ARG HG2 . . 3.970 2.725 2.071 3.586 . 0 0 "[ . 1 . 2]" 1
29 1 14 ARG HA 1 14 ARG HG3 . . 4.040 2.850 2.140 3.972 . 0 0 "[ . 1 . 2]" 1
30 1 14 ARG HA 1 15 GLY H . . 3.370 2.697 2.251 3.357 . 0 0 "[ . 1 . 2]" 1
31 1 14 ARG QB 1 15 GLY H . . 4.130 2.650 1.932 3.777 . 0 0 "[ . 1 . 2]" 1
32 1 14 ARG QB 1 113 TRP HH2 . . 4.620 3.708 2.881 4.447 . 0 0 "[ . 1 . 2]" 1
33 1 14 ARG QB 1 113 TRP HZ2 . . 4.460 3.750 2.338 4.357 . 0 0 "[ . 1 . 2]" 1
34 1 14 ARG HG3 1 15 GLY H . . 4.960 4.619 3.898 5.224 0.264 19 0 "[ . 1 . 2]" 1
35 1 15 GLY H 1 16 ARG H . . 4.890 4.417 3.570 4.673 . 0 0 "[ . 1 . 2]" 1
36 1 15 GLY H 1 16 ARG QG . . 5.500 5.005 3.725 5.514 0.014 2 0 "[ . 1 . 2]" 1
37 1 15 GLY H 1 113 TRP HE1 . . 5.230 4.784 3.953 5.238 0.008 9 0 "[ . 1 . 2]" 1
38 1 15 GLY H 1 113 TRP HH2 . . 5.040 3.565 2.384 5.061 0.021 9 0 "[ . 1 . 2]" 1
39 1 15 GLY H 1 113 TRP HZ2 . . 4.460 2.953 1.968 4.093 . 0 0 "[ . 1 . 2]" 1
40 1 15 GLY HA2 1 113 TRP HZ2 . . 4.210 3.954 3.678 4.143 . 0 0 "[ . 1 . 2]" 1
41 1 15 GLY HA3 1 16 ARG H . . 3.480 2.706 2.345 3.375 . 0 0 "[ . 1 . 2]" 1
42 1 15 GLY HA3 1 113 TRP HD1 . . 4.850 4.596 4.245 4.857 0.007 20 0 "[ . 1 . 2]" 1
43 1 15 GLY HA3 1 113 TRP HE1 . . 3.940 3.042 2.478 3.396 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLY HA3 1 113 TRP HH2 . . 4.040 3.801 3.486 4.042 0.002 6 0 "[ . 1 . 2]" 1
45 1 15 GLY HA3 1 113 TRP HZ2 . . 3.540 2.509 2.122 2.854 . 0 0 "[ . 1 . 2]" 1
46 1 16 ARG H 1 16 ARG HB2 . . 4.120 3.095 2.284 3.837 . 0 0 "[ . 1 . 2]" 1
47 1 16 ARG H 1 16 ARG QG . . 4.320 2.928 1.969 4.174 . 0 0 "[ . 1 . 2]" 1
48 1 16 ARG H 1 17 LEU H . . 5.490 4.318 4.187 4.565 . 0 0 "[ . 1 . 2]" 1
49 1 16 ARG H 1 113 TRP HA . . 5.500 4.256 3.670 5.271 . 0 0 "[ . 1 . 2]" 1
50 1 16 ARG H 1 113 TRP HE1 . . 5.490 4.864 4.319 5.484 . 0 0 "[ . 1 . 2]" 1
51 1 16 ARG H 1 114 SER H . . 4.050 2.443 1.892 3.260 . 0 0 "[ . 1 . 2]" 1
52 1 16 ARG H 1 114 SER HB2 . . 4.850 3.435 2.992 3.713 . 0 0 "[ . 1 . 2]" 1
53 1 16 ARG HA 1 16 ARG QG . . 3.800 2.810 1.994 3.436 . 0 0 "[ . 1 . 2]" 1
54 1 16 ARG HA 1 17 LEU H . . 3.140 2.288 2.248 2.378 . 0 0 "[ . 1 . 2]" 1
55 1 16 ARG HB2 1 16 ARG QD . . 3.710 2.802 1.982 3.387 . 0 0 "[ . 1 . 2]" 1
56 1 16 ARG HB2 1 16 ARG HE . . 5.500 4.290 3.228 5.310 . 0 0 "[ . 1 . 2]" 1
57 1 16 ARG HB2 1 17 LEU H . . 4.460 3.865 2.948 4.417 . 0 0 "[ . 1 . 2]" 1
58 1 16 ARG HB2 1 18 TRP HD1 . . 4.620 3.722 2.818 4.628 0.008 12 0 "[ . 1 . 2]" 1
59 1 16 ARG HB2 1 30 PHE QD . . 4.210 2.995 2.300 3.994 . 0 0 "[ . 1 . 2]" 1
60 1 16 ARG HB2 1 30 PHE QE . . 4.460 3.522 2.383 4.331 . 0 0 "[ . 1 . 2]" 1
61 1 16 ARG HB2 1 114 SER HB2 . . 4.850 3.941 2.415 4.822 . 0 0 "[ . 1 . 2]" 1
62 1 16 ARG HB2 1 114 SER HB3 . . 4.620 3.379 2.139 4.627 0.007 17 0 "[ . 1 . 2]" 1
63 1 16 ARG HB3 1 16 ARG QD . . 3.800 2.430 2.072 3.245 . 0 0 "[ . 1 . 2]" 1
64 1 16 ARG HB3 1 16 ARG HE . . 5.490 4.087 3.278 4.719 . 0 0 "[ . 1 . 2]" 1
65 1 16 ARG HB3 1 17 LEU H . . 4.210 3.524 3.138 4.037 . 0 0 "[ . 1 . 2]" 1
66 1 16 ARG HB3 1 30 PHE QD . . 3.910 2.955 2.169 3.926 0.016 10 0 "[ . 1 . 2]" 1
67 1 16 ARG QD 1 17 LEU H . . 5.230 4.501 3.569 5.244 0.014 17 0 "[ . 1 . 2]" 1
68 1 16 ARG QD 1 30 PHE QD . . 4.320 3.508 1.989 4.326 0.006 15 0 "[ . 1 . 2]" 1
69 1 16 ARG QG 1 18 TRP HD1 . . 4.620 4.248 2.906 4.680 0.060 14 0 "[ . 1 . 2]" 1
70 1 16 ARG QG 1 30 PHE QD . . 4.320 3.046 1.978 3.982 . 0 0 "[ . 1 . 2]" 1
71 1 16 ARG QG 1 30 PHE QE . . 4.320 3.441 1.977 4.331 0.011 12 0 "[ . 1 . 2]" 1
72 1 17 LEU H 1 17 LEU HB2 . . 3.540 2.344 2.219 2.440 . 0 0 "[ . 1 . 2]" 1
73 1 17 LEU H 1 17 LEU HB3 . . 4.000 3.548 3.495 3.578 . 0 0 "[ . 1 . 2]" 1
74 1 17 LEU H 1 17 LEU MD1 . . 3.800 2.983 2.566 3.473 . 0 0 "[ . 1 . 2]" 1
75 1 17 LEU H 1 17 LEU MD2 . . 3.970 4.052 4.016 4.085 0.115 7 0 "[ . 1 . 2]" 1
76 1 17 LEU H 1 17 LEU HG . . 3.920 2.742 2.628 2.938 . 0 0 "[ . 1 . 2]" 1
77 1 17 LEU H 1 18 TRP H . . 5.230 4.618 4.599 4.631 . 0 0 "[ . 1 . 2]" 1
78 1 17 LEU H 1 18 TRP HD1 . . 4.620 4.414 4.159 4.634 0.014 20 0 "[ . 1 . 2]" 1
79 1 17 LEU H 1 113 TRP HZ3 . . 5.230 4.829 4.389 5.235 0.005 9 0 "[ . 1 . 2]" 1
80 1 17 LEU HA 1 17 LEU MD1 . . 3.970 3.840 3.810 3.857 . 0 0 "[ . 1 . 2]" 1
81 1 17 LEU HA 1 17 LEU MD2 . . 3.140 2.577 2.182 2.882 . 0 0 "[ . 1 . 2]" 1
82 1 17 LEU HA 1 17 LEU HG . . 3.970 2.602 2.570 2.644 . 0 0 "[ . 1 . 2]" 1
83 1 17 LEU HA 1 18 TRP H . . 3.120 2.332 2.244 2.440 . 0 0 "[ . 1 . 2]" 1
84 1 17 LEU HA 1 18 TRP HD1 . . 4.040 3.312 2.856 3.629 . 0 0 "[ . 1 . 2]" 1
85 1 17 LEU HA 1 111 LEU QD . . 4.210 3.500 3.125 3.958 . 0 0 "[ . 1 . 2]" 1
86 1 17 LEU HA 1 112 ARG H . . 5.490 4.638 4.263 5.066 . 0 0 "[ . 1 . 2]" 1
87 1 17 LEU HA 1 113 TRP HE3 . . 4.320 3.735 3.352 4.061 . 0 0 "[ . 1 . 2]" 1
88 1 17 LEU HA 1 114 SER H . . 4.460 3.585 3.221 3.850 . 0 0 "[ . 1 . 2]" 1
89 1 17 LEU HB2 1 17 LEU MD1 . . 3.090 2.111 1.970 2.257 . 0 0 "[ . 1 . 2]" 1
90 1 17 LEU HB2 1 18 TRP H . . 4.660 3.986 3.740 4.190 . 0 0 "[ . 1 . 2]" 1
91 1 17 LEU HB2 1 62 ALA MB . . 3.710 2.177 1.960 2.391 . 0 0 "[ . 1 . 2]" 1
92 1 17 LEU HB3 1 17 LEU MD2 . . 2.940 2.162 2.057 2.276 . 0 0 "[ . 1 . 2]" 1
93 1 17 LEU HB3 1 18 TRP H . . 4.070 2.832 2.540 3.103 . 0 0 "[ . 1 . 2]" 1
94 1 17 LEU HB3 1 111 LEU QD . . 3.250 2.387 2.044 2.915 . 0 0 "[ . 1 . 2]" 1
95 1 17 LEU MD1 1 62 ALA HA . . 4.040 2.572 2.035 2.891 . 0 0 "[ . 1 . 2]" 1
96 1 17 LEU MD1 1 62 ALA MB . . 2.910 2.271 1.895 2.594 . 0 0 "[ . 1 . 2]" 1
97 1 17 LEU MD1 1 63 ASP H . . 3.850 2.146 1.898 2.363 . 0 0 "[ . 1 . 2]" 1
98 1 17 LEU MD1 1 64 PRO HA . . 3.140 2.409 2.143 2.829 . 0 0 "[ . 1 . 2]" 1
99 1 17 LEU MD1 1 64 PRO HB3 . . 4.120 2.812 2.534 3.181 . 0 0 "[ . 1 . 2]" 1
100 1 17 LEU MD1 1 64 PRO HG3 . . 4.210 3.402 3.191 3.845 . 0 0 "[ . 1 . 2]" 1
101 1 17 LEU MD1 1 67 ARG H . . 4.270 4.063 3.706 4.290 0.020 20 0 "[ . 1 . 2]" 1
102 1 17 LEU MD1 1 67 ARG HA . . 3.360 2.953 2.467 3.205 . 0 0 "[ . 1 . 2]" 1
103 1 17 LEU MD1 1 68 THR H . . 3.750 3.316 2.645 3.705 . 0 0 "[ . 1 . 2]" 1
104 1 17 LEU MD1 1 111 LEU QD . . 4.040 3.356 3.125 3.484 . 0 0 "[ . 1 . 2]" 1
105 1 17 LEU MD1 1 113 TRP HZ3 . . 3.910 3.028 2.527 3.829 . 0 0 "[ . 1 . 2]" 1
106 1 17 LEU MD2 1 18 TRP H . . 3.910 3.503 3.066 3.770 . 0 0 "[ . 1 . 2]" 1
107 1 17 LEU MD2 1 67 ARG H . . 4.620 4.628 4.561 4.660 0.040 13 0 "[ . 1 . 2]" 1
108 1 17 LEU MD2 1 67 ARG HA . . 3.450 2.739 2.683 2.801 . 0 0 "[ . 1 . 2]" 1
109 1 17 LEU MD2 1 96 LEU MD2 . . 3.220 2.586 2.235 3.131 . 0 0 "[ . 1 . 2]" 1
110 1 17 LEU MD2 1 96 LEU HG . . 4.850 2.793 2.502 3.118 . 0 0 "[ . 1 . 2]" 1
111 1 17 LEU MD2 1 111 LEU QD . . 3.320 1.893 1.675 2.199 . 0 0 "[ . 1 . 2]" 1
112 1 17 LEU MD2 1 113 TRP HA . . 3.910 3.150 2.853 3.290 . 0 0 "[ . 1 . 2]" 1
113 1 17 LEU MD2 1 113 TRP HB2 . . 3.480 2.370 2.087 2.753 . 0 0 "[ . 1 . 2]" 1
114 1 17 LEU MD2 1 113 TRP HB3 . . 4.210 3.780 3.348 4.212 0.002 3 0 "[ . 1 . 2]" 1
115 1 17 LEU MD2 1 113 TRP HE3 . . 3.320 2.325 1.975 2.707 . 0 0 "[ . 1 . 2]" 1
116 1 17 LEU MD2 1 114 SER H . . 4.890 4.854 4.582 4.924 0.034 8 0 "[ . 1 . 2]" 1
117 1 17 LEU HG 1 18 TRP H . . 4.530 4.639 4.579 4.687 0.157 8 0 "[ . 1 . 2]" 1
118 1 17 LEU HG 1 62 ALA MB . . 4.320 4.189 3.772 4.320 0.000 2 0 "[ . 1 . 2]" 1
119 1 17 LEU HG 1 64 PRO HA . . 4.120 4.079 3.731 4.145 0.025 19 0 "[ . 1 . 2]" 1
120 1 17 LEU HG 1 113 TRP HE3 . . 3.910 2.084 1.991 2.365 . 0 0 "[ . 1 . 2]" 1
121 1 17 LEU HG 1 113 TRP HZ3 . . 4.120 3.205 2.811 3.529 . 0 0 "[ . 1 . 2]" 1
122 1 18 TRP H 1 18 TRP HD1 . . 3.750 3.498 3.070 3.727 . 0 0 "[ . 1 . 2]" 1
123 1 18 TRP H 1 19 LEU H . . 5.130 4.303 4.253 4.332 . 0 0 "[ . 1 . 2]" 1
124 1 18 TRP H 1 19 LEU QD . . 5.350 3.769 3.350 4.346 . 0 0 "[ . 1 . 2]" 1
125 1 18 TRP H 1 31 LEU HG . . 5.490 4.035 3.602 4.535 . 0 0 "[ . 1 . 2]" 1
126 1 18 TRP H 1 111 LEU QD . . 3.750 2.718 2.493 2.949 . 0 0 "[ . 1 . 2]" 1
127 1 18 TRP H 1 112 ARG H . . 3.940 2.873 2.647 3.229 . 0 0 "[ . 1 . 2]" 1
128 1 18 TRP H 1 112 ARG HA . . 4.960 4.856 4.641 4.969 0.009 11 0 "[ . 1 . 2]" 1
129 1 18 TRP H 1 112 ARG HB2 . . 5.230 3.876 3.500 4.381 . 0 0 "[ . 1 . 2]" 1
130 1 18 TRP H 1 113 TRP HA . . 4.320 3.582 3.259 3.827 . 0 0 "[ . 1 . 2]" 1
131 1 18 TRP H 1 114 SER H . . 5.490 5.028 4.816 5.187 . 0 0 "[ . 1 . 2]" 1
132 1 18 TRP HA 1 19 LEU H . . 3.380 2.467 2.355 2.604 . 0 0 "[ . 1 . 2]" 1
133 1 18 TRP HA 1 29 ILE H . . 5.490 5.079 4.646 5.490 . 0 0 "[ . 1 . 2]" 1
134 1 18 TRP HA 1 30 PHE H . . 5.500 5.100 4.857 5.289 . 0 0 "[ . 1 . 2]" 1
135 1 18 TRP HA 1 30 PHE HA . . 3.600 2.731 2.353 3.101 . 0 0 "[ . 1 . 2]" 1
136 1 18 TRP HA 1 31 LEU H . . 3.970 2.602 2.359 2.906 . 0 0 "[ . 1 . 2]" 1
137 1 18 TRP HA 1 31 LEU MD2 . . 3.850 2.609 2.300 3.036 . 0 0 "[ . 1 . 2]" 1
138 1 18 TRP HA 1 31 LEU HG . . 3.970 2.548 2.135 2.830 . 0 0 "[ . 1 . 2]" 1
139 1 18 TRP HB2 1 18 TRP HE3 . . 3.970 2.486 2.380 2.555 . 0 0 "[ . 1 . 2]" 1
140 1 18 TRP HB2 1 19 LEU H . . 3.810 2.543 2.242 2.816 . 0 0 "[ . 1 . 2]" 1
141 1 18 TRP HB2 1 29 ILE H . . 4.960 3.941 3.698 4.137 . 0 0 "[ . 1 . 2]" 1
142 1 18 TRP HB2 1 30 PHE HA . . 4.320 3.078 2.744 3.322 . 0 0 "[ . 1 . 2]" 1
143 1 18 TRP HB2 1 30 PHE QD . . 4.620 4.183 3.574 4.508 . 0 0 "[ . 1 . 2]" 1
144 1 18 TRP HB2 1 31 LEU H . . 4.660 4.422 4.130 4.661 0.001 17 0 "[ . 1 . 2]" 1
145 1 18 TRP HB3 1 18 TRP HD1 . . 3.850 2.750 2.700 2.858 . 0 0 "[ . 1 . 2]" 1
146 1 18 TRP HB3 1 19 LEU H . . 3.970 3.769 3.588 3.920 . 0 0 "[ . 1 . 2]" 1
147 1 18 TRP HB3 1 29 ILE H . . 5.490 5.299 4.966 5.498 0.008 11 0 "[ . 1 . 2]" 1
148 1 18 TRP HB3 1 30 PHE HA . . 3.850 2.060 1.988 2.418 . 0 0 "[ . 1 . 2]" 1
149 1 18 TRP HB3 1 30 PHE QD . . 4.040 3.216 2.755 3.675 . 0 0 "[ . 1 . 2]" 1
150 1 18 TRP HB3 1 31 LEU H . . 4.570 3.498 3.238 3.740 . 0 0 "[ . 1 . 2]" 1
151 1 18 TRP HD1 1 113 TRP HA . . 4.040 3.622 2.866 4.061 0.021 14 0 "[ . 1 . 2]" 1
152 1 18 TRP HD1 1 114 SER H . . 3.750 3.172 2.436 3.593 . 0 0 "[ . 1 . 2]" 1
153 1 18 TRP HD1 1 114 SER HB2 . . 4.040 3.029 2.321 3.758 . 0 0 "[ . 1 . 2]" 1
154 1 18 TRP HD1 1 114 SER HB3 . . 4.210 3.846 3.354 4.192 . 0 0 "[ . 1 . 2]" 1
155 1 18 TRP HE1 1 112 ARG HB2 . . 4.710 4.516 3.865 4.727 0.017 14 0 "[ . 1 . 2]" 1
156 1 18 TRP HE1 1 112 ARG HB3 . . 4.490 4.035 3.273 4.342 . 0 0 "[ . 1 . 2]" 1
157 1 18 TRP HE1 1 113 TRP H . . 5.350 4.273 3.556 4.916 . 0 0 "[ . 1 . 2]" 1
158 1 18 TRP HE1 1 113 TRP HA . . 5.130 3.582 3.081 3.952 . 0 0 "[ . 1 . 2]" 1
159 1 18 TRP HE1 1 114 SER H . . 4.570 2.737 2.252 3.209 . 0 0 "[ . 1 . 2]" 1
160 1 18 TRP HE1 1 114 SER HA . . 4.770 2.393 1.952 2.979 . 0 0 "[ . 1 . 2]" 1
161 1 18 TRP HE1 1 114 SER HB2 . . 3.850 2.158 1.945 2.733 . 0 0 "[ . 1 . 2]" 1
162 1 18 TRP HE1 1 114 SER HB3 . . 4.210 3.420 2.727 4.147 . 0 0 "[ . 1 . 2]" 1
163 1 18 TRP HE3 1 19 LEU H . . 4.620 3.231 2.902 3.523 . 0 0 "[ . 1 . 2]" 1
164 1 18 TRP HE3 1 21 SER H . . 5.350 5.101 4.696 5.364 0.014 17 0 "[ . 1 . 2]" 1
165 1 18 TRP HE3 1 28 PRO HA . . 3.850 3.533 3.155 3.861 0.011 16 0 "[ . 1 . 2]" 1
166 1 18 TRP HE3 1 28 PRO HB2 . . 4.320 2.815 2.149 3.404 . 0 0 "[ . 1 . 2]" 1
167 1 18 TRP HE3 1 28 PRO HB3 . . 3.710 2.608 2.001 3.120 . 0 0 "[ . 1 . 2]" 1
168 1 18 TRP HE3 1 29 ILE H . . 4.460 4.352 4.009 4.480 0.020 13 0 "[ . 1 . 2]" 1
169 1 18 TRP HH2 1 20 GLN HB2 . . 4.210 3.510 3.080 3.850 . 0 0 "[ . 1 . 2]" 1
170 1 18 TRP HH2 1 20 GLN HE21 . . 4.460 2.897 2.040 4.026 . 0 0 "[ . 1 . 2]" 1
171 1 18 TRP HH2 1 20 GLN HG3 . . 4.120 3.671 2.525 5.095 0.975 1 1 "[+ . 1 . 2]" 1
172 1 18 TRP HH2 1 112 ARG HG3 . . 4.620 3.168 2.766 3.953 . 0 0 "[ . 1 . 2]" 1
173 1 18 TRP HZ2 1 112 ARG HB2 . . 4.620 3.897 3.534 4.226 . 0 0 "[ . 1 . 2]" 1
174 1 18 TRP HZ2 1 112 ARG HB3 . . 4.320 3.081 2.599 3.622 . 0 0 "[ . 1 . 2]" 1
175 1 18 TRP HZ2 1 112 ARG HG3 . . 4.620 4.378 3.918 4.623 0.003 17 0 "[ . 1 . 2]" 1
176 1 18 TRP HZ3 1 20 GLN HB2 . . 4.040 2.219 1.994 3.003 . 0 0 "[ . 1 . 2]" 1
177 1 18 TRP HZ3 1 20 GLN HB3 . . 4.620 3.768 3.517 4.265 . 0 0 "[ . 1 . 2]" 1
178 1 18 TRP HZ3 1 20 GLN HG2 . . 4.460 3.783 3.391 4.416 . 0 0 "[ . 1 . 2]" 1
179 1 18 TRP HZ3 1 20 GLN HG3 . . 4.040 2.387 2.075 3.882 . 0 0 "[ . 1 . 2]" 1
180 1 18 TRP HZ3 1 21 SER H . . 4.960 4.694 3.985 4.964 0.004 15 0 "[ . 1 . 2]" 1
181 1 19 LEU H 1 19 LEU HB2 . . 3.780 2.599 2.461 2.729 . 0 0 "[ . 1 . 2]" 1
182 1 19 LEU H 1 19 LEU QD . . 4.320 2.600 1.932 3.323 . 0 0 "[ . 1 . 2]" 1
183 1 19 LEU H 1 19 LEU HG . . 4.020 3.364 2.399 4.060 0.040 19 0 "[ . 1 . 2]" 1
184 1 19 LEU H 1 20 GLN H . . 5.490 4.540 4.434 4.597 . 0 0 "[ . 1 . 2]" 1
185 1 19 LEU H 1 28 PRO HA . . 4.960 4.228 3.953 4.493 . 0 0 "[ . 1 . 2]" 1
186 1 19 LEU H 1 28 PRO HB3 . . 5.230 4.989 4.491 5.236 0.006 13 0 "[ . 1 . 2]" 1
187 1 19 LEU H 1 29 ILE H . . 4.220 3.310 2.907 3.576 . 0 0 "[ . 1 . 2]" 1
188 1 19 LEU H 1 29 ILE HB . . 3.900 3.766 3.493 3.905 0.005 6 0 "[ . 1 . 2]" 1
189 1 19 LEU H 1 29 ILE MG . . 4.460 4.352 4.133 4.473 0.013 17 0 "[ . 1 . 2]" 1
190 1 19 LEU H 1 30 PHE HA . . 4.530 4.253 3.878 4.552 0.022 16 0 "[ . 1 . 2]" 1
191 1 19 LEU H 1 31 LEU H . . 4.770 4.563 4.163 4.778 0.008 13 0 "[ . 1 . 2]" 1
192 1 19 LEU H 1 31 LEU MD2 . . 4.020 3.217 2.955 3.456 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU HA 1 19 LEU QD . . 3.180 2.168 1.929 2.494 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU HA 1 20 GLN H . . 3.390 2.280 2.191 2.338 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU HA 1 111 LEU HA . . 4.120 2.625 2.337 2.802 . 0 0 "[ . 1 . 2]" 1
196 1 19 LEU HA 1 112 ARG H . . 4.770 3.053 2.699 3.376 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU HB3 1 20 GLN H . . 4.620 2.989 2.802 3.365 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU HB3 1 109 LEU QD . . 3.210 2.337 2.022 2.769 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU QD 1 20 GLN H . . 4.040 3.687 3.529 3.843 . 0 0 "[ . 1 . 2]" 1
200 1 19 LEU QD 1 29 ILE HB . . 3.570 2.949 2.261 3.538 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU QD 1 31 LEU MD1 . . 3.630 2.226 2.077 2.452 . 0 0 "[ . 1 . 2]" 1
202 1 19 LEU QD 1 31 LEU MD2 . . 3.120 1.870 1.643 2.570 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU QD 1 109 LEU HB3 . . 4.040 2.857 1.952 3.904 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU QD 1 110 THR H . . 4.620 4.474 4.380 4.546 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU QD 1 111 LEU H . . 4.180 3.922 3.789 4.082 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU QD 1 111 LEU HA . . 3.210 2.168 1.970 2.367 . 0 0 "[ . 1 . 2]" 1
207 1 19 LEU QD 1 111 LEU HB2 . . 3.600 2.843 2.670 2.917 . 0 0 "[ . 1 . 2]" 1
208 1 19 LEU QD 1 111 LEU HB3 . . 4.120 4.084 3.985 4.112 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU QD 1 111 LEU QD . . 2.550 2.162 1.882 2.523 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU QD 1 112 ARG H . . 3.570 3.304 3.047 3.553 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU HG 1 20 GLN H . . 5.130 5.058 4.873 5.147 0.017 20 0 "[ . 1 . 2]" 1
212 1 20 GLN H 1 20 GLN HB2 . . 4.020 2.803 2.596 2.974 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLN H 1 20 GLN HB3 . . 3.780 2.677 2.479 2.812 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLN H 1 20 GLN HG2 . . 4.890 4.530 4.319 4.737 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLN H 1 110 THR H . . 3.830 3.129 2.268 3.596 . 0 0 "[ . 1 . 2]" 1
216 1 20 GLN H 1 110 THR HB . . 4.320 3.109 2.905 3.376 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLN H 1 111 LEU HA . . 4.890 3.872 3.401 4.219 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLN H 1 112 ARG H . . 4.890 4.280 3.542 4.731 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLN H 1 112 ARG HE . . 5.230 5.056 4.704 5.238 0.008 20 0 "[ . 1 . 2]" 1
220 1 20 GLN H 1 112 ARG HG3 . . 5.230 4.099 3.809 4.360 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLN HB2 1 21 SER H . . 4.770 4.595 4.280 4.678 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLN HB2 1 110 THR HB . . 4.120 3.891 3.301 4.128 0.008 15 0 "[ . 1 . 2]" 1
223 1 20 GLN HB2 1 112 ARG HE . . 5.130 3.891 3.552 4.353 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLN HB2 1 112 ARG HG3 . . 4.320 2.010 1.995 2.132 . 0 0 "[ . 1 . 2]" 1
225 1 20 GLN HB3 1 21 SER H . . 4.890 4.415 4.197 4.564 . 0 0 "[ . 1 . 2]" 1
226 1 20 GLN HB3 1 110 THR H . . 4.460 4.032 3.365 4.465 0.005 5 0 "[ . 1 . 2]" 1
227 1 20 GLN HB3 1 110 THR HB . . 3.600 2.441 1.995 2.828 . 0 0 "[ . 1 . 2]" 1
228 1 20 GLN HB3 1 110 THR MG . . 4.620 3.287 2.796 3.809 . 0 0 "[ . 1 . 2]" 1
229 1 20 GLN HB3 1 112 ARG HE . . 4.620 3.526 2.886 3.992 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLN HB3 1 112 ARG HG3 . . 4.620 3.012 2.567 3.429 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLN HG2 1 21 SER H . . 4.210 3.790 3.272 4.296 0.086 1 0 "[ . 1 . 2]" 1
232 1 20 GLN HG3 1 21 SER H . . 4.320 3.770 2.665 4.218 . 0 0 "[ . 1 . 2]" 1
233 1 21 SER H 1 21 SER HB2 . . 4.120 3.389 3.182 3.511 . 0 0 "[ . 1 . 2]" 1
234 1 21 SER H 1 21 SER HB3 . . 3.800 3.163 2.913 3.513 . 0 0 "[ . 1 . 2]" 1
235 1 21 SER H 1 21 SER HG . . 4.040 2.696 2.238 3.244 . 0 0 "[ . 1 . 2]" 1
236 1 21 SER H 1 22 PRO HD2 . . 4.960 5.010 4.995 5.050 0.090 19 0 "[ . 1 . 2]" 1
237 1 21 SER H 1 22 PRO HD3 . . 5.130 4.715 4.594 4.744 . 0 0 "[ . 1 . 2]" 1
238 1 21 SER H 1 109 LEU QD . . 4.830 4.002 3.599 4.713 . 0 0 "[ . 1 . 2]" 1
239 1 21 SER HA 1 22 PRO HD2 . . 3.410 2.638 2.449 2.665 . 0 0 "[ . 1 . 2]" 1
240 1 21 SER HA 1 22 PRO HD3 . . 3.180 1.980 1.940 1.989 . 0 0 "[ . 1 . 2]" 1
241 1 21 SER HA 1 22 PRO HG2 . . 4.620 4.596 4.471 4.615 . 0 0 "[ . 1 . 2]" 1
242 1 21 SER HA 1 109 LEU QD . . 3.670 3.090 2.796 3.436 . 0 0 "[ . 1 . 2]" 1
243 1 21 SER HA 1 110 THR H . . 5.230 3.955 3.454 4.381 . 0 0 "[ . 1 . 2]" 1
244 1 21 SER HB2 1 22 PRO HD2 . . 3.360 2.698 2.395 3.179 . 0 0 "[ . 1 . 2]" 1
245 1 21 SER HB2 1 22 PRO HD3 . . 3.800 3.673 3.425 4.032 0.232 19 0 "[ . 1 . 2]" 1
246 1 21 SER HB2 1 26 PRO HD3 . . 4.620 4.193 3.422 5.107 0.487 19 0 "[ . 1 . 2]" 1
247 1 21 SER HB2 1 26 PRO HG2 . . 4.460 4.062 3.711 4.395 . 0 0 "[ . 1 . 2]" 1
248 1 21 SER HB2 1 109 LEU QD . . 4.460 4.101 3.404 4.382 . 0 0 "[ . 1 . 2]" 1
249 1 21 SER HB3 1 22 PRO HD2 . . 3.430 3.049 2.643 3.318 . 0 0 "[ . 1 . 2]" 1
250 1 21 SER HB3 1 22 PRO HD3 . . 3.970 3.585 3.326 3.854 . 0 0 "[ . 1 . 2]" 1
251 1 21 SER HB3 1 26 PRO HG2 . . 4.620 3.554 3.078 4.436 . 0 0 "[ . 1 . 2]" 1
252 1 21 SER HB3 1 109 LEU QD . . 4.320 2.745 2.038 3.037 . 0 0 "[ . 1 . 2]" 1
253 1 21 SER HG 1 26 PRO HD2 . . 4.620 3.073 2.664 3.535 . 0 0 "[ . 1 . 2]" 1
254 1 21 SER HG 1 26 PRO HG2 . . 4.320 2.882 2.363 3.212 . 0 0 "[ . 1 . 2]" 1
255 1 21 SER HG 1 26 PRO HG3 . . 4.850 4.551 4.108 4.866 0.016 10 0 "[ . 1 . 2]" 1
256 1 21 SER HG 1 109 LEU QD . . 3.850 3.664 3.432 3.819 . 0 0 "[ . 1 . 2]" 1
257 1 22 PRO HA 1 23 THR H . . 3.070 2.387 2.151 2.475 . 0 0 "[ . 1 . 2]" 1
258 1 22 PRO HB2 1 23 THR H . . 3.950 2.858 2.614 3.740 . 0 0 "[ . 1 . 2]" 1
259 1 22 PRO HB3 1 23 THR H . . 3.810 3.483 3.351 4.034 0.224 19 0 "[ . 1 . 2]" 1
260 1 22 PRO HD2 1 23 THR H . . 5.490 5.449 5.401 5.520 0.030 13 0 "[ . 1 . 2]" 1
261 1 22 PRO HD2 1 109 LEU QD . . 4.320 3.985 3.697 4.213 . 0 0 "[ . 1 . 2]" 1
262 1 22 PRO HD3 1 109 LEU QD . . 4.620 3.739 3.385 4.179 . 0 0 "[ . 1 . 2]" 1
263 1 22 PRO HG2 1 23 THR H . . 5.230 4.828 4.646 5.377 0.147 19 0 "[ . 1 . 2]" 1
264 1 23 THR H 1 23 THR HB . . 3.340 2.720 2.205 3.374 0.034 7 0 "[ . 1 . 2]" 1
265 1 23 THR H 1 23 THR MG . . 4.120 3.325 2.122 4.070 . 0 0 "[ . 1 . 2]" 1
266 1 23 THR H 1 24 GLY H . . 4.710 4.187 2.658 4.674 . 0 0 "[ . 1 . 2]" 1
267 1 23 THR HA 1 23 THR MG . . 3.270 2.874 2.365 3.243 . 0 0 "[ . 1 . 2]" 1
268 1 23 THR HA 1 24 GLY H . . 3.330 2.589 2.285 3.401 0.071 10 0 "[ . 1 . 2]" 1
269 1 23 THR HA 1 25 GLY H . . 4.040 3.876 3.353 4.289 0.249 17 0 "[ . 1 . 2]" 1
270 1 23 THR HB 1 24 GLY H . . 4.320 4.044 3.648 4.346 0.026 17 0 "[ . 1 . 2]" 1
271 1 23 THR MG 1 24 GLY H . . 4.040 2.889 1.807 4.159 0.119 19 0 "[ . 1 . 2]" 1
272 1 23 THR MG 1 24 GLY HA3 . . 4.460 3.661 3.152 5.207 0.747 19 1 "[ . 1 . +2]" 1
273 1 23 THR MG 1 25 GLY H . . 5.490 3.733 1.902 5.121 . 0 0 "[ . 1 . 2]" 1
274 1 24 GLY H 1 25 GLY H . . 3.650 3.041 2.680 3.623 . 0 0 "[ . 1 . 2]" 1
275 1 25 GLY H 1 26 PRO HD3 . . 4.770 4.567 3.281 4.806 0.036 1 0 "[ . 1 . 2]" 1
276 1 25 GLY HA2 1 26 PRO HD2 . . 3.600 3.438 3.074 3.960 0.360 19 0 "[ . 1 . 2]" 1
277 1 25 GLY HA2 1 26 PRO HD3 . . 3.850 2.685 2.256 3.823 . 0 0 "[ . 1 . 2]" 1
278 1 25 GLY HA3 1 26 PRO HD2 . . 3.240 2.372 2.194 3.302 0.062 19 0 "[ . 1 . 2]" 1
279 1 25 GLY HA3 1 26 PRO HD3 . . 3.750 2.447 1.977 2.798 . 0 0 "[ . 1 . 2]" 1
280 1 26 PRO HA 1 27 PRO HD2 . . 2.990 2.910 2.667 2.959 . 0 0 "[ . 1 . 2]" 1
281 1 26 PRO HA 1 47 GLN HE21 . . 5.040 4.130 3.122 4.720 . 0 0 "[ . 1 . 2]" 1
282 1 26 PRO HA 1 47 GLN HE22 . . 5.350 5.086 4.542 5.361 0.011 10 0 "[ . 1 . 2]" 1
283 1 26 PRO HB2 1 27 PRO HD3 . . 3.380 3.174 3.076 3.650 0.270 19 0 "[ . 1 . 2]" 1
284 1 26 PRO HB2 1 46 THR HA . . 4.850 3.772 3.201 4.048 . 0 0 "[ . 1 . 2]" 1
285 1 26 PRO HB3 1 27 PRO HD3 . . 3.600 3.193 3.125 3.534 . 0 0 "[ . 1 . 2]" 1
286 1 26 PRO HB3 1 47 GLN HE21 . . 5.350 3.253 1.924 3.995 . 0 0 "[ . 1 . 2]" 1
287 1 26 PRO HB3 1 47 GLN HE22 . . 5.230 4.705 2.956 5.229 . 0 0 "[ . 1 . 2]" 1
288 1 26 PRO HD3 1 47 GLN HB2 . . 4.460 2.549 2.002 3.814 . 0 0 "[ . 1 . 2]" 1
289 1 26 PRO HG2 1 46 THR HA . . 4.040 2.396 1.995 3.077 . 0 0 "[ . 1 . 2]" 1
290 1 26 PRO HG2 1 46 THR MG . . 4.320 4.153 3.806 4.361 0.041 17 0 "[ . 1 . 2]" 1
291 1 26 PRO HG3 1 46 THR HA . . 3.800 2.372 2.043 3.201 . 0 0 "[ . 1 . 2]" 1
292 1 26 PRO HG3 1 46 THR HB . . 4.620 4.213 3.741 4.629 0.009 13 0 "[ . 1 . 2]" 1
293 1 26 PRO HG3 1 47 GLN HB2 . . 4.620 2.649 2.059 3.115 . 0 0 "[ . 1 . 2]" 1
294 1 26 PRO HG3 1 47 GLN HG2 . . 4.620 2.923 2.502 3.610 . 0 0 "[ . 1 . 2]" 1
295 1 26 PRO HG3 1 47 GLN HG3 . . 4.320 2.459 2.021 4.655 0.335 17 0 "[ . 1 . 2]" 1
296 1 27 PRO HA 1 28 PRO HD2 . . 3.060 2.938 2.768 2.957 . 0 0 "[ . 1 . 2]" 1
297 1 27 PRO HA 1 28 PRO HD3 . . 3.380 2.171 2.052 2.185 . 0 0 "[ . 1 . 2]" 1
298 1 27 PRO HB2 1 28 PRO HD2 . . 3.510 2.029 1.984 2.421 . 0 0 "[ . 1 . 2]" 1
299 1 27 PRO HB2 1 28 PRO HD3 . . 3.540 3.118 3.078 3.456 . 0 0 "[ . 1 . 2]" 1
300 1 27 PRO HB3 1 28 PRO HD2 . . 3.630 2.768 2.751 2.926 . 0 0 "[ . 1 . 2]" 1
301 1 27 PRO HB3 1 28 PRO HD3 . . 3.540 3.153 3.126 3.389 . 0 0 "[ . 1 . 2]" 1
302 1 27 PRO HD3 1 47 GLN HE21 . . 5.350 4.671 3.764 5.201 . 0 0 "[ . 1 . 2]" 1
303 1 28 PRO HA 1 29 ILE H . . 3.120 2.160 2.149 2.183 . 0 0 "[ . 1 . 2]" 1
304 1 28 PRO HB2 1 29 ILE H . . 4.620 3.926 3.583 4.081 . 0 0 "[ . 1 . 2]" 1
305 1 28 PRO HB2 1 30 PHE QE . . 4.040 3.577 2.979 4.035 . 0 0 "[ . 1 . 2]" 1
306 1 28 PRO HB2 1 30 PHE HZ . . 4.620 4.490 3.624 4.637 0.017 10 0 "[ . 1 . 2]" 1
307 1 28 PRO HB3 1 29 ILE H . . 4.320 4.179 3.921 4.305 . 0 0 "[ . 1 . 2]" 1
308 1 29 ILE H 1 29 ILE HB . . 3.630 2.297 2.214 2.359 . 0 0 "[ . 1 . 2]" 1
309 1 29 ILE H 1 29 ILE MD . . 4.050 2.312 2.036 2.633 . 0 0 "[ . 1 . 2]" 1
310 1 29 ILE H 1 29 ILE HG12 . . 4.460 4.091 4.003 4.289 . 0 0 "[ . 1 . 2]" 1
311 1 29 ILE H 1 29 ILE HG13 . . 4.020 3.031 2.907 3.426 . 0 0 "[ . 1 . 2]" 1
312 1 29 ILE H 1 29 ILE MG . . 4.320 3.680 3.634 3.712 . 0 0 "[ . 1 . 2]" 1
313 1 29 ILE H 1 30 PHE H . . 5.130 4.550 4.406 4.617 . 0 0 "[ . 1 . 2]" 1
314 1 29 ILE HA 1 29 ILE MD . . 3.600 3.559 3.406 3.613 0.013 14 0 "[ . 1 . 2]" 1
315 1 29 ILE HA 1 29 ILE HG13 . . 3.670 2.263 2.176 2.322 . 0 0 "[ . 1 . 2]" 1
316 1 29 ILE HA 1 30 PHE H . . 2.990 2.223 2.176 2.291 . 0 0 "[ . 1 . 2]" 1
317 1 29 ILE HA 1 30 PHE QD . . 4.620 3.280 2.805 3.694 . 0 0 "[ . 1 . 2]" 1
318 1 29 ILE HB 1 29 ILE MD . . 3.080 2.059 1.948 2.135 . 0 0 "[ . 1 . 2]" 1
319 1 29 ILE HB 1 30 PHE H . . 4.770 4.290 4.065 4.519 . 0 0 "[ . 1 . 2]" 1
320 1 29 ILE MD 1 46 THR H . . 4.960 4.635 4.285 4.865 . 0 0 "[ . 1 . 2]" 1
321 1 29 ILE MD 1 46 THR HA . . 3.600 3.477 3.170 3.617 0.017 20 0 "[ . 1 . 2]" 1
322 1 29 ILE MD 1 46 THR MG . . 3.220 3.083 2.676 3.230 0.010 11 0 "[ . 1 . 2]" 1
323 1 29 ILE MD 1 47 GLN H . . 5.350 5.249 5.036 5.363 0.013 10 0 "[ . 1 . 2]" 1
324 1 29 ILE HG13 1 29 ILE MG . . 3.600 2.952 2.878 3.002 . 0 0 "[ . 1 . 2]" 1
325 1 29 ILE HG13 1 30 PHE H . . 4.420 4.341 4.223 4.422 0.002 16 0 "[ . 1 . 2]" 1
326 1 29 ILE MG 1 30 PHE H . . 3.670 2.529 1.987 3.041 . 0 0 "[ . 1 . 2]" 1
327 1 29 ILE MG 1 30 PHE QD . . 4.850 4.437 3.890 4.849 . 0 0 "[ . 1 . 2]" 1
328 1 30 PHE H 1 30 PHE HB2 . . 3.370 2.185 2.089 2.299 . 0 0 "[ . 1 . 2]" 1
329 1 30 PHE H 1 30 PHE HB3 . . 3.630 3.464 3.397 3.533 . 0 0 "[ . 1 . 2]" 1
330 1 30 PHE H 1 30 PHE QD . . 3.800 2.431 2.098 2.796 . 0 0 "[ . 1 . 2]" 1
331 1 30 PHE H 1 30 PHE QE . . 5.490 4.716 4.248 5.007 . 0 0 "[ . 1 . 2]" 1
332 1 30 PHE H 1 31 LEU H . . 5.130 4.337 4.231 4.422 . 0 0 "[ . 1 . 2]" 1
333 1 30 PHE HA 1 30 PHE QD . . 3.970 3.088 2.923 3.189 . 0 0 "[ . 1 . 2]" 1
334 1 30 PHE HA 1 31 LEU H . . 3.270 2.207 2.193 2.230 . 0 0 "[ . 1 . 2]" 1
335 1 30 PHE HA 1 31 LEU MD2 . . 4.040 3.157 2.909 3.341 . 0 0 "[ . 1 . 2]" 1
336 1 30 PHE HA 1 31 LEU HG . . 4.460 3.905 3.659 4.137 . 0 0 "[ . 1 . 2]" 1
337 1 30 PHE HB2 1 31 LEU H . . 4.620 4.532 4.458 4.598 . 0 0 "[ . 1 . 2]" 1
338 1 30 PHE HB3 1 31 LEU H . . 4.130 3.802 3.552 3.943 . 0 0 "[ . 1 . 2]" 1
339 1 30 PHE QD 1 31 LEU H . . 4.850 4.555 4.275 4.770 . 0 0 "[ . 1 . 2]" 1
340 1 31 LEU H 1 31 LEU HB3 . . 3.970 3.507 3.481 3.546 . 0 0 "[ . 1 . 2]" 1
341 1 31 LEU H 1 31 LEU MD1 . . 4.120 3.646 3.583 3.791 . 0 0 "[ . 1 . 2]" 1
342 1 31 LEU H 1 31 LEU MD2 . . 3.800 2.075 1.913 2.412 . 0 0 "[ . 1 . 2]" 1
343 1 31 LEU H 1 31 LEU HG . . 3.480 2.045 1.922 2.272 . 0 0 "[ . 1 . 2]" 1
344 1 31 LEU HB2 1 62 ALA MB . . 3.410 1.766 1.752 1.799 . 0 0 "[ . 1 . 2]" 1
345 1 31 LEU HB3 1 31 LEU MD1 . . 3.450 2.132 2.040 2.220 . 0 0 "[ . 1 . 2]" 1
346 1 31 LEU HB3 1 32 PRO HD2 . . 3.750 2.014 1.970 2.146 . 0 0 "[ . 1 . 2]" 1
347 1 31 LEU HB3 1 32 PRO HD3 . . 4.210 2.835 2.678 3.060 . 0 0 "[ . 1 . 2]" 1
348 1 31 LEU MD1 1 32 PRO HD2 . . 3.630 3.643 3.554 3.715 0.085 20 0 "[ . 1 . 2]" 1
349 1 31 LEU MD1 1 62 ALA MB . . 2.670 2.680 2.625 2.727 0.057 13 0 "[ . 1 . 2]" 1
350 1 31 LEU MD2 1 32 PRO HD2 . . 3.970 3.820 3.639 3.986 0.016 10 0 "[ . 1 . 2]" 1
351 1 31 LEU MD2 1 32 PRO HD3 . . 3.910 3.459 3.224 3.673 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU HG 1 62 ALA MB . . 3.300 3.269 3.077 3.359 0.059 15 0 "[ . 1 . 2]" 1
353 1 32 PRO HA 1 33 SER H . . 3.290 2.261 2.148 2.500 . 0 0 "[ . 1 . 2]" 1
354 1 32 PRO HB2 1 33 SER H . . 4.710 3.299 2.556 3.949 . 0 0 "[ . 1 . 2]" 1
355 1 32 PRO HB2 1 34 ASP H . . 4.320 3.220 2.771 3.459 . 0 0 "[ . 1 . 2]" 1
356 1 32 PRO HB2 1 35 GLY H . . 4.960 3.050 2.691 4.821 . 0 0 "[ . 1 . 2]" 1
357 1 32 PRO HB2 1 36 GLN H . . 4.210 2.756 2.571 2.923 . 0 0 "[ . 1 . 2]" 1
358 1 32 PRO HB3 1 33 SER H . . 4.320 3.751 3.324 4.195 . 0 0 "[ . 1 . 2]" 1
359 1 32 PRO HB3 1 34 ASP H . . 4.320 4.219 3.852 4.360 0.040 2 0 "[ . 1 . 2]" 1
360 1 32 PRO HB3 1 36 GLN H . . 4.460 4.312 4.025 4.476 0.016 19 0 "[ . 1 . 2]" 1
361 1 32 PRO HD2 1 38 LEU H . . 5.230 3.707 3.508 3.998 . 0 0 "[ . 1 . 2]" 1
362 1 32 PRO HD2 1 38 LEU HB2 . . 3.850 2.911 2.690 3.090 . 0 0 "[ . 1 . 2]" 1
363 1 32 PRO HD2 1 38 LEU HB3 . . 4.460 4.192 3.788 4.427 . 0 0 "[ . 1 . 2]" 1
364 1 32 PRO HD2 1 38 LEU MD1 . . 4.460 4.276 3.648 4.470 0.010 14 0 "[ . 1 . 2]" 1
365 1 32 PRO HD2 1 38 LEU MD2 . . 4.040 3.586 3.292 3.820 . 0 0 "[ . 1 . 2]" 1
366 1 32 PRO HD3 1 38 LEU HB2 . . 3.910 2.305 2.041 2.460 . 0 0 "[ . 1 . 2]" 1
367 1 32 PRO HD3 1 38 LEU HB3 . . 4.210 3.787 3.458 4.013 . 0 0 "[ . 1 . 2]" 1
368 1 32 PRO HD3 1 38 LEU MD1 . . 3.800 3.064 2.464 3.340 . 0 0 "[ . 1 . 2]" 1
369 1 32 PRO HD3 1 38 LEU MD2 . . 3.600 2.365 2.003 2.754 . 0 0 "[ . 1 . 2]" 1
370 1 32 PRO QG 1 38 LEU HB2 . . 3.800 3.108 2.588 3.511 . 0 0 "[ . 1 . 2]" 1
371 1 33 SER H 1 33 SER HB2 . . 3.910 3.131 2.341 3.737 . 0 0 "[ . 1 . 2]" 1
372 1 33 SER H 1 33 SER HB3 . . 4.040 3.143 2.405 3.675 . 0 0 "[ . 1 . 2]" 1
373 1 33 SER H 1 34 ASP H . . 3.940 2.179 1.873 2.571 . 0 0 "[ . 1 . 2]" 1
374 1 33 SER HA 1 64 PRO HG2 . . 4.320 4.086 3.876 4.273 . 0 0 "[ . 1 . 2]" 1
375 1 33 SER HA 1 64 PRO HG3 . . 4.210 2.956 2.669 3.275 . 0 0 "[ . 1 . 2]" 1
376 1 33 SER HB2 1 34 ASP H . . 4.040 3.592 2.930 4.175 0.135 19 0 "[ . 1 . 2]" 1
377 1 33 SER HB2 1 64 PRO HG2 . . 4.850 4.230 3.296 4.861 0.011 4 0 "[ . 1 . 2]" 1
378 1 33 SER HB2 1 64 PRO HG3 . . 4.620 3.539 2.650 4.320 . 0 0 "[ . 1 . 2]" 1
379 1 33 SER HB3 1 34 ASP H . . 4.120 4.001 3.012 4.173 0.053 14 0 "[ . 1 . 2]" 1
380 1 33 SER HB3 1 64 PRO HG2 . . 4.460 4.163 3.134 4.861 0.401 12 0 "[ . 1 . 2]" 1
381 1 33 SER HB3 1 64 PRO HG3 . . 4.620 3.203 2.254 4.226 . 0 0 "[ . 1 . 2]" 1
382 1 34 ASP H 1 34 ASP HB3 . . 4.040 3.067 2.328 3.568 . 0 0 "[ . 1 . 2]" 1
383 1 34 ASP H 1 35 GLY H . . 3.540 2.825 2.428 3.549 0.009 19 0 "[ . 1 . 2]" 1
384 1 34 ASP H 1 35 GLY HA2 . . 5.490 5.096 4.832 5.267 . 0 0 "[ . 1 . 2]" 1
385 1 34 ASP H 1 36 GLN H . . 3.990 3.932 3.475 4.019 0.029 17 0 "[ . 1 . 2]" 1
386 1 34 ASP H 1 36 GLN HB2 . . 5.230 4.652 3.595 4.962 . 0 0 "[ . 1 . 2]" 1
387 1 34 ASP HA 1 36 GLN H . . 4.960 4.687 4.367 4.816 . 0 0 "[ . 1 . 2]" 1
388 1 34 ASP HB2 1 35 GLY H . . 4.770 3.530 2.685 4.391 . 0 0 "[ . 1 . 2]" 1
389 1 34 ASP HB2 1 36 GLN H . . 5.130 3.573 2.572 4.426 . 0 0 "[ . 1 . 2]" 1
390 1 34 ASP HB2 1 36 GLN HE21 . . 5.500 3.840 2.061 5.269 . 0 0 "[ . 1 . 2]" 1
391 1 34 ASP HB2 1 36 GLN HE22 . . 5.490 4.499 2.075 5.696 0.206 18 0 "[ . 1 . 2]" 1
392 1 34 ASP HB3 1 35 GLY H . . 5.040 3.302 2.695 4.444 . 0 0 "[ . 1 . 2]" 1
393 1 35 GLY H 1 36 GLN H . . 3.500 2.090 1.900 3.062 . 0 0 "[ . 1 . 2]" 1
394 1 35 GLY H 1 36 GLN HB2 . . 4.890 3.787 3.539 4.818 . 0 0 "[ . 1 . 2]" 1
395 1 35 GLY H 1 61 ILE MG . . 4.710 4.675 4.515 4.731 0.021 16 0 "[ . 1 . 2]" 1
396 1 35 GLY HA2 1 61 ILE MG . . 3.670 3.198 2.951 3.301 . 0 0 "[ . 1 . 2]" 1
397 1 35 GLY HA3 1 61 ILE MG . . 4.210 4.120 3.886 4.215 0.005 1 0 "[ . 1 . 2]" 1
398 1 36 GLN H 1 36 GLN HB2 . . 3.200 2.169 2.101 2.289 . 0 0 "[ . 1 . 2]" 1
399 1 36 GLN H 1 36 GLN HB3 . . 3.450 3.450 3.243 3.514 0.064 16 0 "[ . 1 . 2]" 1
400 1 36 GLN H 1 36 GLN HG2 . . 3.970 3.938 3.842 4.016 0.046 15 0 "[ . 1 . 2]" 1
401 1 36 GLN H 1 36 GLN HG3 . . 3.750 3.033 2.650 3.755 0.005 19 0 "[ . 1 . 2]" 1
402 1 36 GLN H 1 37 ALA H . . 4.710 4.632 4.553 4.656 . 0 0 "[ . 1 . 2]" 1
403 1 36 GLN H 1 61 ILE MG . . 5.130 4.701 3.840 4.939 . 0 0 "[ . 1 . 2]" 1
404 1 36 GLN HA 1 36 GLN HG2 . . 3.710 2.619 1.978 3.542 . 0 0 "[ . 1 . 2]" 1
405 1 36 GLN HA 1 36 GLN HG3 . . 3.850 2.538 2.232 3.067 . 0 0 "[ . 1 . 2]" 1
406 1 36 GLN HA 1 37 ALA H . . 2.720 2.605 2.511 2.692 . 0 0 "[ . 1 . 2]" 1
407 1 36 GLN HA 1 37 ALA MB . . 3.800 3.802 3.766 3.860 0.060 6 0 "[ . 1 . 2]" 1
408 1 36 GLN HA 1 61 ILE MG . . 4.850 4.565 3.807 4.860 0.010 15 0 "[ . 1 . 2]" 1
409 1 36 GLN HB2 1 36 GLN HE22 . . 5.500 3.990 3.422 4.561 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLN HB2 1 37 ALA H . . 3.850 3.781 3.634 3.868 0.018 6 0 "[ . 1 . 2]" 1
411 1 36 GLN HB3 1 37 ALA H . . 3.560 2.329 2.125 2.479 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLN HB3 1 37 ALA MB . . 4.620 4.317 4.237 4.392 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLN HG2 1 37 ALA H . . 4.320 3.404 2.977 4.225 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLN HG3 1 37 ALA H . . 4.460 4.138 3.266 4.425 . 0 0 "[ . 1 . 2]" 1
415 1 37 ALA H 1 37 ALA MB . . 2.870 2.417 2.259 2.533 . 0 0 "[ . 1 . 2]" 1
416 1 37 ALA H 1 38 LEU H . . 4.830 4.299 4.224 4.342 . 0 0 "[ . 1 . 2]" 1
417 1 37 ALA H 1 61 ILE HG13 . . 5.490 4.896 4.637 5.302 . 0 0 "[ . 1 . 2]" 1
418 1 37 ALA HA 1 38 LEU H . . 2.910 2.191 2.186 2.205 . 0 0 "[ . 1 . 2]" 1
419 1 37 ALA HA 1 61 ILE MD . . 3.850 3.557 3.239 3.885 0.035 6 0 "[ . 1 . 2]" 1
420 1 37 ALA HA 1 61 ILE HG13 . . 3.970 2.377 1.981 3.031 . 0 0 "[ . 1 . 2]" 1
421 1 37 ALA MB 1 38 LEU H . . 3.360 3.305 3.199 3.374 0.014 16 0 "[ . 1 . 2]" 1
422 1 37 ALA MB 1 59 GLU HB2 . . 4.620 4.018 3.768 4.395 . 0 0 "[ . 1 . 2]" 1
423 1 37 ALA MB 1 59 GLU HB3 . . 3.750 3.886 3.682 4.132 0.382 2 0 "[ . 1 . 2]" 1
424 1 37 ALA MB 1 59 GLU HG2 . . 3.290 1.987 1.831 2.290 . 0 0 "[ . 1 . 2]" 1
425 1 37 ALA MB 1 59 GLU HG3 . . 3.120 2.108 1.779 2.581 . 0 0 "[ . 1 . 2]" 1
426 1 37 ALA MB 1 60 LEU H . . 4.320 4.157 3.876 4.358 0.038 20 0 "[ . 1 . 2]" 1
427 1 37 ALA MB 1 61 ILE HB . . 3.970 4.088 4.034 4.167 0.197 14 0 "[ . 1 . 2]" 1
428 1 37 ALA MB 1 61 ILE MD . . 3.320 2.151 1.836 3.099 . 0 0 "[ . 1 . 2]" 1
429 1 37 ALA MB 1 61 ILE HG12 . . 2.970 2.071 1.894 2.361 . 0 0 "[ . 1 . 2]" 1
430 1 37 ALA MB 1 61 ILE HG13 . . 3.630 1.947 1.921 1.974 . 0 0 "[ . 1 . 2]" 1
431 1 37 ALA MB 1 61 ILE MG . . 3.910 3.556 2.430 3.875 . 0 0 "[ . 1 . 2]" 1
432 1 38 LEU H 1 38 LEU HB2 . . 3.350 2.425 2.288 2.562 . 0 0 "[ . 1 . 2]" 1
433 1 38 LEU H 1 38 LEU HB3 . . 3.750 2.739 2.557 2.880 . 0 0 "[ . 1 . 2]" 1
434 1 38 LEU H 1 38 LEU MD1 . . 4.620 3.907 3.697 4.046 . 0 0 "[ . 1 . 2]" 1
435 1 38 LEU H 1 39 VAL H . . 4.830 4.296 4.213 4.523 . 0 0 "[ . 1 . 2]" 1
436 1 38 LEU H 1 39 VAL HA . . 5.230 4.991 4.923 5.106 . 0 0 "[ . 1 . 2]" 1
437 1 38 LEU H 1 60 LEU H . . 3.870 3.601 3.298 3.785 . 0 0 "[ . 1 . 2]" 1
438 1 38 LEU H 1 60 LEU HB3 . . 4.850 4.189 3.952 4.544 . 0 0 "[ . 1 . 2]" 1
439 1 38 LEU HA 1 39 VAL H . . 3.040 2.198 2.177 2.222 . 0 0 "[ . 1 . 2]" 1
440 1 38 LEU HA 1 39 VAL HB . . 4.210 4.223 4.167 4.243 0.033 6 0 "[ . 1 . 2]" 1
441 1 38 LEU HB2 1 38 LEU MD2 . . 3.510 2.266 2.173 2.396 . 0 0 "[ . 1 . 2]" 1
442 1 38 LEU HB2 1 39 VAL H . . 4.750 4.618 4.496 4.659 . 0 0 "[ . 1 . 2]" 1
443 1 38 LEU HB3 1 38 LEU MD1 . . 3.480 3.216 3.211 3.221 . 0 0 "[ . 1 . 2]" 1
444 1 38 LEU HB3 1 38 LEU MD2 . . 3.480 2.435 2.339 2.499 . 0 0 "[ . 1 . 2]" 1
445 1 38 LEU HB3 1 39 VAL H . . 4.710 4.305 3.902 4.429 . 0 0 "[ . 1 . 2]" 1
446 1 38 LEU MD1 1 39 VAL H . . 3.190 3.087 2.963 3.193 0.003 7 0 "[ . 1 . 2]" 1
447 1 38 LEU HG 1 39 VAL H . . 4.250 3.808 3.145 4.082 . 0 0 "[ . 1 . 2]" 1
448 1 39 VAL H 1 39 VAL HB . . 3.120 2.064 2.002 2.167 . 0 0 "[ . 1 . 2]" 1
449 1 39 VAL H 1 39 VAL MG1 . . 3.450 3.487 3.359 3.524 0.074 6 0 "[ . 1 . 2]" 1
450 1 39 VAL H 1 39 VAL MG2 . . 3.270 2.917 2.824 3.074 . 0 0 "[ . 1 . 2]" 1
451 1 39 VAL H 1 40 LEU QD . . 4.850 4.632 3.860 4.795 . 0 0 "[ . 1 . 2]" 1
452 1 39 VAL HA 1 39 VAL MG1 . . 3.240 2.699 2.645 2.823 . 0 0 "[ . 1 . 2]" 1
453 1 39 VAL HA 1 39 VAL MG2 . . 3.140 2.053 1.983 2.223 . 0 0 "[ . 1 . 2]" 1
454 1 39 VAL HA 1 40 LEU H . . 3.050 2.201 2.183 2.311 . 0 0 "[ . 1 . 2]" 1
455 1 39 VAL HA 1 58 VAL H . . 4.960 4.553 4.399 4.677 . 0 0 "[ . 1 . 2]" 1
456 1 39 VAL HA 1 58 VAL MG2 . . 4.620 4.595 4.452 4.653 0.033 19 0 "[ . 1 . 2]" 1
457 1 39 VAL HA 1 60 LEU H . . 4.270 3.095 2.776 3.488 . 0 0 "[ . 1 . 2]" 1
458 1 39 VAL HB 1 40 LEU H . . 4.570 4.506 4.292 4.614 0.044 9 0 "[ . 1 . 2]" 1
459 1 39 VAL MG1 1 40 LEU H . . 3.290 2.771 2.336 3.096 . 0 0 "[ . 1 . 2]" 1
460 1 39 VAL MG1 1 56 ASN HA . . 2.940 1.806 1.758 1.901 . 0 0 "[ . 1 . 2]" 1
461 1 39 VAL MG1 1 56 ASN HB2 . . 3.630 3.416 3.078 3.769 0.139 12 0 "[ . 1 . 2]" 1
462 1 39 VAL MG1 1 56 ASN HB3 . . 3.320 2.378 1.988 3.333 0.013 12 0 "[ . 1 . 2]" 1
463 1 39 VAL MG1 1 56 ASN HD21 . . 4.620 3.576 2.302 4.599 . 0 0 "[ . 1 . 2]" 1
464 1 39 VAL MG1 1 56 ASN HD22 . . 5.230 4.251 2.837 5.271 0.041 20 0 "[ . 1 . 2]" 1
465 1 39 VAL MG1 1 57 GLN H . . 3.970 3.573 3.311 3.776 . 0 0 "[ . 1 . 2]" 1
466 1 39 VAL MG1 1 58 VAL H . . 4.110 3.832 3.571 4.036 . 0 0 "[ . 1 . 2]" 1
467 1 39 VAL MG2 1 59 GLU HA . . 3.540 2.534 2.107 2.924 . 0 0 "[ . 1 . 2]" 1
468 1 39 VAL MG2 1 59 GLU HB3 . . 4.460 4.101 3.625 4.477 0.017 17 0 "[ . 1 . 2]" 1
469 1 39 VAL MG2 1 59 GLU HG2 . . 4.210 3.972 3.306 4.236 0.026 13 0 "[ . 1 . 2]" 1
470 1 39 VAL MG2 1 59 GLU HG3 . . 3.800 2.626 1.924 3.071 . 0 0 "[ . 1 . 2]" 1
471 1 39 VAL MG2 1 60 LEU H . . 4.460 4.017 3.706 4.404 . 0 0 "[ . 1 . 2]" 1
472 1 40 LEU H 1 40 LEU HB2 . . 3.570 2.308 2.153 2.561 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU H 1 40 LEU QD . . 4.460 3.381 2.559 3.615 . 0 0 "[ . 1 . 2]" 1
474 1 40 LEU H 1 40 LEU HG . . 4.460 3.780 3.098 4.518 0.058 18 0 "[ . 1 . 2]" 1
475 1 40 LEU H 1 41 GLY H . . 5.130 4.522 4.435 4.582 . 0 0 "[ . 1 . 2]" 1
476 1 40 LEU H 1 57 GLN H . . 5.040 4.570 4.184 4.793 . 0 0 "[ . 1 . 2]" 1
477 1 40 LEU H 1 57 GLN HB3 . . 5.350 4.992 4.823 5.349 . 0 0 "[ . 1 . 2]" 1
478 1 40 LEU H 1 58 VAL H . . 3.910 3.272 3.003 3.466 . 0 0 "[ . 1 . 2]" 1
479 1 40 LEU H 1 58 VAL MG2 . . 3.660 3.160 3.024 3.280 . 0 0 "[ . 1 . 2]" 1
480 1 40 LEU H 1 60 LEU H . . 5.230 3.740 3.426 4.069 . 0 0 "[ . 1 . 2]" 1
481 1 40 LEU HA 1 40 LEU QD . . 3.020 1.991 1.871 2.201 . 0 0 "[ . 1 . 2]" 1
482 1 40 LEU HA 1 41 GLY H . . 3.070 2.510 2.370 2.602 . 0 0 "[ . 1 . 2]" 1
483 1 40 LEU HA 1 46 THR MG . . 4.210 3.873 3.487 4.185 . 0 0 "[ . 1 . 2]" 1
484 1 40 LEU HB2 1 41 GLY H . . 4.150 3.882 3.630 4.159 0.009 5 0 "[ . 1 . 2]" 1
485 1 40 LEU HB2 1 58 VAL H . . 4.660 4.137 3.783 4.541 . 0 0 "[ . 1 . 2]" 1
486 1 40 LEU HB2 1 58 VAL MG2 . . 3.070 2.700 2.453 2.999 . 0 0 "[ . 1 . 2]" 1
487 1 40 LEU HB3 1 40 LEU QD . . 3.020 2.131 2.033 2.404 . 0 0 "[ . 1 . 2]" 1
488 1 40 LEU HB3 1 41 GLY H . . 3.590 2.549 2.250 2.942 . 0 0 "[ . 1 . 2]" 1
489 1 40 LEU HB3 1 58 VAL H . . 5.490 4.715 3.927 5.122 . 0 0 "[ . 1 . 2]" 1
490 1 40 LEU HB3 1 58 VAL MG2 . . 3.710 3.401 2.740 3.722 0.012 6 0 "[ . 1 . 2]" 1
491 1 40 LEU HB3 1 102 LEU MD2 . . 3.220 2.938 2.553 3.264 0.044 20 0 "[ . 1 . 2]" 1
492 1 40 LEU QD 1 41 GLY H . . 3.800 2.999 2.595 3.501 . 0 0 "[ . 1 . 2]" 1
493 1 40 LEU QD 1 45 LEU HB3 . . 4.320 2.515 1.906 3.316 . 0 0 "[ . 1 . 2]" 1
494 1 40 LEU QD 1 46 THR MG . . 2.950 2.021 1.781 2.409 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLY H 1 42 ARG H . . 4.830 4.378 4.251 4.446 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLY H 1 45 LEU QD . . 4.770 3.971 3.398 4.415 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLY H 1 46 THR HG1 . . 4.660 3.881 2.956 4.656 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLY H 1 46 THR MG . . 3.630 2.978 2.634 3.354 . 0 0 "[ . 1 . 2]" 1
499 1 41 GLY H 1 57 GLN H . . 5.490 5.022 4.834 5.120 . 0 0 "[ . 1 . 2]" 1
500 1 41 GLY H 1 102 LEU MD2 . . 4.420 2.750 2.456 3.232 . 0 0 "[ . 1 . 2]" 1
501 1 41 GLY HA2 1 53 CYS HG . . 4.040 2.312 2.062 2.614 . 0 0 "[ . 1 . 2]" 1
502 1 41 GLY HA2 1 55 ARG HA . . 4.620 4.594 4.460 4.642 0.022 13 0 "[ . 1 . 2]" 1
503 1 41 GLY HA2 1 57 GLN H . . 4.120 3.676 3.474 3.836 . 0 0 "[ . 1 . 2]" 1
504 1 41 GLY HA2 1 57 GLN HB2 . . 4.120 3.598 3.325 3.869 . 0 0 "[ . 1 . 2]" 1
505 1 41 GLY HA2 1 57 GLN HB3 . . 3.970 3.016 2.684 3.148 . 0 0 "[ . 1 . 2]" 1
506 1 41 GLY HA2 1 58 VAL H . . 5.040 4.863 4.661 5.020 . 0 0 "[ . 1 . 2]" 1
507 1 41 GLY HA2 1 58 VAL MG2 . . 4.850 4.570 4.239 4.760 . 0 0 "[ . 1 . 2]" 1
508 1 41 GLY HA2 1 102 LEU MD1 . . 4.460 3.946 3.679 4.292 . 0 0 "[ . 1 . 2]" 1
509 1 41 GLY HA2 1 102 LEU MD2 . . 4.040 1.910 1.808 2.102 . 0 0 "[ . 1 . 2]" 1
510 1 41 GLY HA3 1 42 ARG H . . 3.390 2.356 2.264 2.453 . 0 0 "[ . 1 . 2]" 1
511 1 41 GLY HA3 1 53 CYS HB3 . . 4.320 4.316 4.234 4.357 0.037 13 0 "[ . 1 . 2]" 1
512 1 41 GLY HA3 1 55 ARG HA . . 3.970 2.984 2.859 3.056 . 0 0 "[ . 1 . 2]" 1
513 1 41 GLY HA3 1 57 GLN H . . 3.880 2.882 2.727 2.973 . 0 0 "[ . 1 . 2]" 1
514 1 41 GLY HA3 1 57 GLN HB2 . . 4.320 3.830 3.465 4.003 . 0 0 "[ . 1 . 2]" 1
515 1 41 GLY HA3 1 58 VAL H . . 4.770 4.727 4.564 4.806 0.036 8 0 "[ . 1 . 2]" 1
516 1 41 GLY HA3 1 102 LEU MD2 . . 4.460 3.313 3.177 3.459 . 0 0 "[ . 1 . 2]" 1
517 1 42 ARG H 1 42 ARG HB2 . . 3.400 2.043 2.030 2.069 . 0 0 "[ . 1 . 2]" 1
518 1 42 ARG H 1 42 ARG HB3 . . 3.670 3.307 3.269 3.352 . 0 0 "[ . 1 . 2]" 1
519 1 42 ARG H 1 42 ARG HG2 . . 4.120 4.105 3.992 4.150 0.030 4 0 "[ . 1 . 2]" 1
520 1 42 ARG H 1 42 ARG HG3 . . 4.040 3.316 3.183 3.451 . 0 0 "[ . 1 . 2]" 1
521 1 42 ARG H 1 48 VAL HB . . 4.960 4.554 4.342 4.805 . 0 0 "[ . 1 . 2]" 1
522 1 42 ARG H 1 48 VAL MG1 . . 5.490 3.801 3.370 4.131 . 0 0 "[ . 1 . 2]" 1
523 1 42 ARG H 1 53 CYS HB2 . . 4.770 4.505 4.269 4.745 . 0 0 "[ . 1 . 2]" 1
524 1 42 ARG H 1 53 CYS HB3 . . 4.830 2.791 2.573 3.060 . 0 0 "[ . 1 . 2]" 1
525 1 42 ARG H 1 53 CYS HG . . 3.730 3.569 3.277 3.730 . 0 0 "[ . 1 . 2]" 1
526 1 42 ARG H 1 54 SER H . . 5.130 3.868 3.238 4.370 . 0 0 "[ . 1 . 2]" 1
527 1 42 ARG H 1 54 SER HA . . 5.230 4.002 3.771 4.265 . 0 0 "[ . 1 . 2]" 1
528 1 42 ARG H 1 55 ARG H . . 5.500 3.832 3.531 4.027 . 0 0 "[ . 1 . 2]" 1
529 1 42 ARG H 1 55 ARG HA . . 3.270 2.779 2.577 2.961 . 0 0 "[ . 1 . 2]" 1
530 1 42 ARG H 1 55 ARG QB . . 4.890 4.807 4.589 4.905 0.015 4 0 "[ . 1 . 2]" 1
531 1 42 ARG H 1 57 GLN H . . 5.130 4.678 4.526 4.797 . 0 0 "[ . 1 . 2]" 1
532 1 42 ARG H 1 102 LEU MD2 . . 5.490 4.069 3.892 4.238 . 0 0 "[ . 1 . 2]" 1
533 1 42 ARG HA 1 42 ARG HD3 . . 4.620 4.520 4.459 4.590 . 0 0 "[ . 1 . 2]" 1
534 1 42 ARG HA 1 42 ARG HG2 . . 4.210 2.278 2.178 2.424 . 0 0 "[ . 1 . 2]" 1
535 1 42 ARG HA 1 42 ARG HG3 . . 3.190 2.651 2.484 2.786 . 0 0 "[ . 1 . 2]" 1
536 1 42 ARG HA 1 43 GLY H . . 2.940 2.327 2.278 2.389 . 0 0 "[ . 1 . 2]" 1
537 1 42 ARG HA 1 48 VAL H . . 4.210 3.832 3.591 4.031 . 0 0 "[ . 1 . 2]" 1
538 1 42 ARG HA 1 48 VAL HB . . 3.340 2.584 2.459 2.666 . 0 0 "[ . 1 . 2]" 1
539 1 42 ARG HA 1 48 VAL MG1 . . 3.850 2.464 2.075 2.669 . 0 0 "[ . 1 . 2]" 1
540 1 42 ARG HA 1 48 VAL MG2 . . 4.210 4.198 4.069 4.246 0.036 13 0 "[ . 1 . 2]" 1
541 1 42 ARG HB2 1 42 ARG HD3 . . 3.910 2.821 2.506 3.798 . 0 0 "[ . 1 . 2]" 1
542 1 42 ARG HB2 1 42 ARG HE . . 4.890 3.658 2.201 4.414 . 0 0 "[ . 1 . 2]" 1
543 1 42 ARG HB2 1 48 VAL MG1 . . 4.850 4.094 3.760 4.261 . 0 0 "[ . 1 . 2]" 1
544 1 42 ARG HB2 1 54 SER H . . 5.490 4.751 4.077 5.298 . 0 0 "[ . 1 . 2]" 1
545 1 42 ARG HB2 1 55 ARG HA . . 3.480 3.420 3.328 3.486 0.006 12 0 "[ . 1 . 2]" 1
546 1 42 ARG HB2 1 55 ARG HG2 . . 4.620 4.240 3.737 4.618 . 0 0 "[ . 1 . 2]" 1
547 1 42 ARG HB2 1 55 ARG HG3 . . 4.620 4.219 3.423 4.577 . 0 0 "[ . 1 . 2]" 1
548 1 42 ARG HB3 1 42 ARG HD3 . . 3.850 2.992 2.561 3.734 . 0 0 "[ . 1 . 2]" 1
549 1 42 ARG HB3 1 48 VAL MG1 . . 4.620 4.500 4.179 4.637 0.017 15 0 "[ . 1 . 2]" 1
550 1 42 ARG HB3 1 55 ARG HA . . 4.210 4.214 4.101 4.242 0.032 20 0 "[ . 1 . 2]" 1
551 1 42 ARG HB3 1 55 ARG HG2 . . 4.620 4.228 3.669 4.664 0.044 15 0 "[ . 1 . 2]" 1
552 1 42 ARG HD2 1 49 THR HA . . 4.040 3.061 2.721 3.731 . 0 0 "[ . 1 . 2]" 1
553 1 42 ARG HD2 1 51 ARG HA . . 3.910 3.130 2.622 3.911 0.001 10 0 "[ . 1 . 2]" 1
554 1 42 ARG HD2 1 53 CYS H . . 5.490 4.628 4.161 5.500 0.010 3 0 "[ . 1 . 2]" 1
555 1 42 ARG HD3 1 43 GLY H . . 5.500 5.507 5.256 5.710 0.210 13 0 "[ . 1 . 2]" 1
556 1 42 ARG HD3 1 49 THR HA . . 4.460 4.051 3.120 4.507 0.047 4 0 "[ . 1 . 2]" 1
557 1 42 ARG HD3 1 51 ARG HA . . 3.320 3.187 2.704 3.539 0.219 17 0 "[ . 1 . 2]" 1
558 1 42 ARG HD3 1 53 CYS H . . 4.620 4.610 4.145 5.198 0.578 12 1 "[ . 1 + . 2]" 1
559 1 42 ARG HE 1 51 ARG HA . . 5.500 5.087 3.419 5.514 0.014 18 0 "[ . 1 . 2]" 1
560 1 42 ARG HG2 1 43 GLY H . . 3.920 3.052 2.865 3.173 . 0 0 "[ . 1 . 2]" 1
561 1 42 ARG HG2 1 49 THR HA . . 4.320 2.078 1.985 2.207 . 0 0 "[ . 1 . 2]" 1
562 1 42 ARG HG3 1 43 GLY H . . 4.580 4.370 4.134 4.550 . 0 0 "[ . 1 . 2]" 1
563 1 42 ARG HG3 1 48 VAL MG1 . . 3.910 2.463 2.147 2.646 . 0 0 "[ . 1 . 2]" 1
564 1 42 ARG HG3 1 49 THR HA . . 3.630 3.502 3.329 3.616 . 0 0 "[ . 1 . 2]" 1
565 1 42 ARG HG3 1 51 ARG HA . . 4.620 4.399 4.041 4.627 0.007 17 0 "[ . 1 . 2]" 1
566 1 42 ARG HG3 1 53 CYS H . . 4.460 3.768 3.469 3.929 . 0 0 "[ . 1 . 2]" 1
567 1 42 ARG HG3 1 53 CYS HB2 . . 3.910 2.719 2.428 3.104 . 0 0 "[ . 1 . 2]" 1
568 1 43 GLY H 1 44 PRO HD3 . . 4.830 4.640 4.557 4.698 . 0 0 "[ . 1 . 2]" 1
569 1 43 GLY H 1 48 VAL HB . . 3.860 3.668 3.447 3.872 0.012 17 0 "[ . 1 . 2]" 1
570 1 43 GLY H 1 48 VAL MG1 . . 4.660 4.050 3.795 4.218 . 0 0 "[ . 1 . 2]" 1
571 1 43 GLY HA2 1 44 PRO HD2 . . 3.270 3.152 3.046 3.233 . 0 0 "[ . 1 . 2]" 1
572 1 43 GLY HA2 1 44 PRO HD3 . . 3.430 2.327 2.232 2.405 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLY HA3 1 44 PRO HD3 . . 3.510 2.718 2.633 2.827 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLY HA3 1 44 PRO QG . . 4.320 4.209 4.150 4.288 . 0 0 "[ . 1 . 2]" 1
575 1 44 PRO HA 1 46 THR H . . 4.460 4.441 4.341 4.473 0.013 8 0 "[ . 1 . 2]" 1
576 1 44 PRO HA 1 47 GLN H . . 3.850 2.915 2.785 2.961 . 0 0 "[ . 1 . 2]" 1
577 1 44 PRO HA 1 47 GLN HA . . 3.630 2.735 2.532 2.931 . 0 0 "[ . 1 . 2]" 1
578 1 44 PRO HA 1 47 GLN HE21 . . 5.490 3.885 3.287 4.865 . 0 0 "[ . 1 . 2]" 1
579 1 44 PRO HA 1 47 GLN HE22 . . 5.230 4.878 3.948 5.194 . 0 0 "[ . 1 . 2]" 1
580 1 44 PRO HA 1 47 GLN HG2 . . 4.620 3.167 2.757 5.085 0.465 17 0 "[ . 1 . 2]" 1
581 1 44 PRO HB2 1 45 LEU H . . 4.320 3.960 3.790 4.032 . 0 0 "[ . 1 . 2]" 1
582 1 44 PRO HB2 1 47 GLN H . . 5.130 5.044 4.830 5.119 . 0 0 "[ . 1 . 2]" 1
583 1 44 PRO HD2 1 45 LEU H . . 4.070 2.626 2.434 2.721 . 0 0 "[ . 1 . 2]" 1
584 1 44 PRO HD3 1 45 LEU H . . 4.620 3.789 3.706 3.833 . 0 0 "[ . 1 . 2]" 1
585 1 44 PRO QG 1 45 LEU H . . 3.830 3.604 3.361 3.711 . 0 0 "[ . 1 . 2]" 1
586 1 45 LEU H 1 45 LEU HB2 . . 3.410 2.244 2.084 2.491 . 0 0 "[ . 1 . 2]" 1
587 1 45 LEU H 1 45 LEU HB3 . . 3.430 3.479 3.401 3.534 0.104 14 0 "[ . 1 . 2]" 1
588 1 45 LEU H 1 45 LEU QD . . 4.210 1.935 1.828 2.159 . 0 0 "[ . 1 . 2]" 1
589 1 45 LEU H 1 45 LEU HG . . 4.040 3.548 2.462 3.921 . 0 0 "[ . 1 . 2]" 1
590 1 45 LEU H 1 46 THR H . . 3.510 2.905 2.858 2.977 . 0 0 "[ . 1 . 2]" 1
591 1 45 LEU H 1 46 THR MG . . 4.620 4.546 4.307 4.657 0.037 8 0 "[ . 1 . 2]" 1
592 1 45 LEU H 1 47 GLN H . . 4.150 3.394 3.337 3.495 . 0 0 "[ . 1 . 2]" 1
593 1 45 LEU HA 1 45 LEU QD . . 2.990 2.492 1.934 2.887 . 0 0 "[ . 1 . 2]" 1
594 1 45 LEU HA 1 45 LEU HG . . 3.510 2.874 2.267 3.654 0.144 7 0 "[ . 1 . 2]" 1
595 1 45 LEU HA 1 46 THR HA . . 4.460 4.551 4.548 4.558 0.098 4 0 "[ . 1 . 2]" 1
596 1 45 LEU HB2 1 46 THR H . . 3.800 2.477 2.290 2.643 . 0 0 "[ . 1 . 2]" 1
597 1 45 LEU HB2 1 46 THR MG . . 3.510 3.146 2.744 3.555 0.045 10 0 "[ . 1 . 2]" 1
598 1 45 LEU HB3 1 45 LEU QD . . 3.120 2.194 2.071 2.586 . 0 0 "[ . 1 . 2]" 1
599 1 45 LEU HB3 1 46 THR H . . 3.850 3.100 2.864 3.449 . 0 0 "[ . 1 . 2]" 1
600 1 45 LEU HB3 1 46 THR MG . . 4.320 2.495 2.197 2.874 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU QD 1 46 THR H . . 5.040 3.766 3.401 3.972 . 0 0 "[ . 1 . 2]" 1
602 1 45 LEU QD 1 47 GLN H . . 4.830 4.629 4.260 4.689 . 0 0 "[ . 1 . 2]" 1
603 1 45 LEU HG 1 46 THR H . . 4.850 4.858 4.291 4.942 0.092 8 0 "[ . 1 . 2]" 1
604 1 46 THR H 1 46 THR HG1 . . 3.810 2.125 1.914 3.084 . 0 0 "[ . 1 . 2]" 1
605 1 46 THR H 1 46 THR MG . . 3.290 2.543 2.188 2.697 . 0 0 "[ . 1 . 2]" 1
606 1 46 THR H 1 47 GLN H . . 3.260 2.198 2.138 2.311 . 0 0 "[ . 1 . 2]" 1
607 1 46 THR H 1 47 GLN HA . . 4.210 4.234 4.203 4.283 0.073 8 0 "[ . 1 . 2]" 1
608 1 46 THR H 1 48 VAL H . . 4.460 2.973 2.824 3.256 . 0 0 "[ . 1 . 2]" 1
609 1 46 THR H 1 48 VAL MG2 . . 5.500 3.993 3.733 4.387 . 0 0 "[ . 1 . 2]" 1
610 1 46 THR HA 1 46 THR HB . . 3.000 2.485 2.406 2.526 . 0 0 "[ . 1 . 2]" 1
611 1 46 THR HA 1 46 THR MG . . 3.160 2.530 2.452 2.630 . 0 0 "[ . 1 . 2]" 1
612 1 46 THR HA 1 47 GLN HB2 . . 4.460 4.123 4.048 4.261 . 0 0 "[ . 1 . 2]" 1
613 1 46 THR HA 1 48 VAL MG2 . . 4.460 4.182 3.902 4.373 . 0 0 "[ . 1 . 2]" 1
614 1 46 THR HB 1 48 VAL H . . 4.120 4.131 4.007 4.174 0.054 8 0 "[ . 1 . 2]" 1
615 1 46 THR HB 1 48 VAL MG2 . . 3.030 2.682 2.405 2.847 . 0 0 "[ . 1 . 2]" 1
616 1 46 THR HB 1 102 LEU MD1 . . 3.750 2.717 2.387 3.013 . 0 0 "[ . 1 . 2]" 1
617 1 46 THR HB 1 109 LEU QD . . 3.750 2.882 2.643 3.106 . 0 0 "[ . 1 . 2]" 1
618 1 46 THR HB 1 109 LEU HG . . 4.460 4.471 4.402 4.500 0.040 13 0 "[ . 1 . 2]" 1
619 1 46 THR HG1 1 46 THR MG . . 2.730 2.506 2.004 2.997 0.267 19 0 "[ . 1 . 2]" 1
620 1 46 THR HG1 1 47 GLN H . . 3.710 3.400 2.860 3.767 0.057 4 0 "[ . 1 . 2]" 1
621 1 46 THR HG1 1 48 VAL H . . 3.730 2.380 1.916 2.959 . 0 0 "[ . 1 . 2]" 1
622 1 46 THR HG1 1 48 VAL HB . . 3.670 2.532 1.987 2.927 . 0 0 "[ . 1 . 2]" 1
623 1 46 THR MG 1 47 GLN H . . 4.120 4.143 3.991 4.249 0.129 17 0 "[ . 1 . 2]" 1
624 1 46 THR MG 1 48 VAL H . . 4.460 4.335 4.011 4.491 0.031 4 0 "[ . 1 . 2]" 1
625 1 46 THR MG 1 102 LEU MD1 . . 3.140 1.969 1.864 2.319 . 0 0 "[ . 1 . 2]" 1
626 1 46 THR MG 1 102 LEU MD2 . . 3.410 3.254 2.857 3.450 0.040 18 0 "[ . 1 . 2]" 1
627 1 46 THR MG 1 109 LEU QD . . 2.760 2.411 1.982 2.588 . 0 0 "[ . 1 . 2]" 1
628 1 47 GLN H 1 47 GLN HG2 . . 3.910 2.829 2.624 4.223 0.313 17 0 "[ . 1 . 2]" 1
629 1 47 GLN H 1 47 GLN HG3 . . 4.120 3.925 3.763 4.056 . 0 0 "[ . 1 . 2]" 1
630 1 47 GLN H 1 48 VAL H . . 3.290 2.616 2.582 2.709 . 0 0 "[ . 1 . 2]" 1
631 1 47 GLN H 1 48 VAL MG2 . . 4.570 4.267 4.052 4.520 . 0 0 "[ . 1 . 2]" 1
632 1 47 GLN HA 1 47 GLN HE21 . . 4.960 4.041 3.638 4.440 . 0 0 "[ . 1 . 2]" 1
633 1 47 GLN HA 1 47 GLN HE22 . . 4.890 4.745 4.019 4.946 0.056 11 0 "[ . 1 . 2]" 1
634 1 47 GLN HA 1 47 GLN HG2 . . 3.040 2.397 2.265 3.668 0.628 17 1 "[ . 1 . + 2]" 1
635 1 47 GLN HA 1 47 GLN HG3 . . 3.600 3.552 2.712 3.617 0.017 3 0 "[ . 1 . 2]" 1
636 1 47 GLN HA 1 48 VAL H . . 3.460 3.074 2.971 3.180 . 0 0 "[ . 1 . 2]" 1
637 1 47 GLN HB2 1 48 VAL H . . 5.230 4.061 3.909 4.206 . 0 0 "[ . 1 . 2]" 1
638 1 47 GLN HB3 1 48 VAL H . . 4.830 4.457 4.379 4.503 . 0 0 "[ . 1 . 2]" 1
639 1 47 GLN HB3 1 49 THR MG . . 4.620 4.373 4.085 4.647 0.027 20 0 "[ . 1 . 2]" 1
640 1 47 GLN HE22 1 47 GLN HG2 . . 4.040 3.518 3.461 3.612 . 0 0 "[ . 1 . 2]" 1
641 1 47 GLN HE22 1 47 GLN HG3 . . 4.040 3.802 3.647 4.155 0.115 17 0 "[ . 1 . 2]" 1
642 1 48 VAL H 1 48 VAL HB . . 3.260 2.253 2.178 2.336 . 0 0 "[ . 1 . 2]" 1
643 1 48 VAL H 1 48 VAL MG1 . . 4.120 3.661 3.610 3.709 . 0 0 "[ . 1 . 2]" 1
644 1 48 VAL H 1 48 VAL MG2 . . 3.250 2.529 2.262 2.783 . 0 0 "[ . 1 . 2]" 1
645 1 48 VAL H 1 49 THR H . . 4.890 4.556 4.518 4.596 . 0 0 "[ . 1 . 2]" 1
646 1 48 VAL H 1 49 THR MG . . 5.350 4.285 4.034 5.260 . 0 0 "[ . 1 . 2]" 1
647 1 48 VAL H 1 102 LEU MD1 . . 5.490 4.850 4.319 5.126 . 0 0 "[ . 1 . 2]" 1
648 1 48 VAL H 1 102 LEU MD2 . . 5.350 4.984 4.441 5.242 . 0 0 "[ . 1 . 2]" 1
649 1 48 VAL HA 1 48 VAL MG1 . . 3.380 2.477 2.372 2.552 . 0 0 "[ . 1 . 2]" 1
650 1 48 VAL HA 1 48 VAL MG2 . . 3.140 2.300 2.113 2.410 . 0 0 "[ . 1 . 2]" 1
651 1 48 VAL HA 1 49 THR H . . 3.150 2.208 2.187 2.225 . 0 0 "[ . 1 . 2]" 1
652 1 48 VAL HA 1 49 THR HA . . 4.320 4.399 4.390 4.408 0.088 5 0 "[ . 1 . 2]" 1
653 1 48 VAL HA 1 49 THR MG . . 4.460 3.524 3.228 3.761 . 0 0 "[ . 1 . 2]" 1
654 1 48 VAL HA 1 50 ASP H . . 3.910 3.675 3.451 3.906 . 0 0 "[ . 1 . 2]" 1
655 1 48 VAL HB 1 49 THR H . . 5.350 4.335 4.262 4.443 . 0 0 "[ . 1 . 2]" 1
656 1 48 VAL MG1 1 49 THR H . . 3.970 2.545 2.371 2.782 . 0 0 "[ . 1 . 2]" 1
657 1 48 VAL MG1 1 49 THR HA . . 3.850 3.571 3.457 3.680 . 0 0 "[ . 1 . 2]" 1
658 1 48 VAL MG1 1 50 ASP H . . 3.270 2.026 1.868 2.644 . 0 0 "[ . 1 . 2]" 1
659 1 48 VAL MG1 1 50 ASP HA . . 4.850 4.263 4.119 4.492 . 0 0 "[ . 1 . 2]" 1
660 1 48 VAL MG1 1 50 ASP HB2 . . 3.800 2.933 2.459 3.607 . 0 0 "[ . 1 . 2]" 1
661 1 48 VAL MG1 1 50 ASP HB3 . . 3.600 2.911 2.507 3.408 . 0 0 "[ . 1 . 2]" 1
662 1 48 VAL MG1 1 53 CYS H . . 4.120 3.999 3.767 4.134 0.014 17 0 "[ . 1 . 2]" 1
663 1 48 VAL MG1 1 53 CYS HB2 . . 3.710 2.317 2.056 2.512 . 0 0 "[ . 1 . 2]" 1
664 1 48 VAL MG1 1 53 CYS HB3 . . 3.800 2.416 1.995 2.708 . 0 0 "[ . 1 . 2]" 1
665 1 48 VAL MG1 1 102 LEU MD2 . . 3.910 2.695 2.118 3.107 . 0 0 "[ . 1 . 2]" 1
666 1 48 VAL MG1 1 107 TYR QD . . 4.210 3.567 3.149 3.831 . 0 0 "[ . 1 . 2]" 1
667 1 48 VAL MG1 1 107 TYR QE . . 3.910 3.608 3.091 3.850 . 0 0 "[ . 1 . 2]" 1
668 1 48 VAL MG2 1 49 THR H . . 4.620 3.921 3.790 4.047 . 0 0 "[ . 1 . 2]" 1
669 1 48 VAL MG2 1 50 ASP H . . 4.850 4.336 4.158 4.538 . 0 0 "[ . 1 . 2]" 1
670 1 48 VAL MG2 1 102 LEU MD1 . . 3.320 2.330 1.905 2.631 . 0 0 "[ . 1 . 2]" 1
671 1 48 VAL MG2 1 107 TYR HB2 . . 4.120 3.380 3.012 3.693 . 0 0 "[ . 1 . 2]" 1
672 1 48 VAL MG2 1 107 TYR HB3 . . 3.480 2.590 2.235 2.880 . 0 0 "[ . 1 . 2]" 1
673 1 48 VAL MG2 1 107 TYR QD . . 3.670 3.116 2.709 3.439 . 0 0 "[ . 1 . 2]" 1
674 1 49 THR H 1 49 THR MG . . 4.200 2.759 2.106 3.092 . 0 0 "[ . 1 . 2]" 1
675 1 49 THR H 1 50 ASP H . . 3.510 2.221 1.856 2.587 . 0 0 "[ . 1 . 2]" 1
676 1 49 THR H 1 50 ASP HB2 . . 4.890 3.747 3.547 4.003 . 0 0 "[ . 1 . 2]" 1
677 1 49 THR H 1 50 ASP HB3 . . 5.230 4.612 4.208 5.071 . 0 0 "[ . 1 . 2]" 1
678 1 49 THR HA 1 49 THR MG . . 3.080 2.511 2.314 3.234 0.154 20 0 "[ . 1 . 2]" 1
679 1 49 THR MG 1 50 ASP H . . 4.620 4.183 3.556 4.393 . 0 0 "[ . 1 . 2]" 1
680 1 50 ASP H 1 50 ASP HB2 . . 3.510 2.381 2.076 2.770 . 0 0 "[ . 1 . 2]" 1
681 1 50 ASP H 1 50 ASP HB3 . . 3.600 2.689 2.281 3.069 . 0 0 "[ . 1 . 2]" 1
682 1 50 ASP H 1 51 ARG H . . 4.770 4.552 4.434 4.671 . 0 0 "[ . 1 . 2]" 1
683 1 50 ASP HA 1 51 ARG H . . 2.880 2.290 2.256 2.420 . 0 0 "[ . 1 . 2]" 1
684 1 50 ASP HA 1 51 ARG HA . . 4.460 4.338 4.311 4.361 . 0 0 "[ . 1 . 2]" 1
685 1 50 ASP HA 1 51 ARG QG . . 4.040 3.846 3.724 3.955 . 0 0 "[ . 1 . 2]" 1
686 1 50 ASP HA 1 52 LYS H . . 4.320 3.989 3.643 4.222 . 0 0 "[ . 1 . 2]" 1
687 1 50 ASP HA 1 53 CYS H . . 5.350 4.499 4.354 4.709 . 0 0 "[ . 1 . 2]" 1
688 1 50 ASP HB2 1 51 ARG H . . 4.660 4.378 4.146 4.526 . 0 0 "[ . 1 . 2]" 1
689 1 50 ASP HB2 1 52 LYS H . . 5.230 4.636 4.256 5.047 . 0 0 "[ . 1 . 2]" 1
690 1 50 ASP HB2 1 53 CYS H . . 5.040 4.363 4.015 4.879 . 0 0 "[ . 1 . 2]" 1
691 1 50 ASP HB2 1 107 TYR QE . . 3.910 3.236 2.754 3.692 . 0 0 "[ . 1 . 2]" 1
692 1 50 ASP HB3 1 51 ARG H . . 4.890 3.982 3.352 4.304 . 0 0 "[ . 1 . 2]" 1
693 1 50 ASP HB3 1 52 LYS H . . 4.770 3.546 2.879 4.308 . 0 0 "[ . 1 . 2]" 1
694 1 50 ASP HB3 1 53 CYS H . . 4.570 2.753 2.436 3.255 . 0 0 "[ . 1 . 2]" 1
695 1 50 ASP HB3 1 53 CYS HB2 . . 4.620 2.408 2.082 2.932 . 0 0 "[ . 1 . 2]" 1
696 1 50 ASP HB3 1 53 CYS HB3 . . 4.620 4.109 3.728 4.635 0.015 4 0 "[ . 1 . 2]" 1
697 1 50 ASP HB3 1 107 TYR QE . . 4.040 3.391 3.022 3.975 . 0 0 "[ . 1 . 2]" 1
698 1 51 ARG H 1 51 ARG HB2 . . 3.820 2.591 2.308 3.550 . 0 0 "[ . 1 . 2]" 1
699 1 51 ARG H 1 51 ARG HB3 . . 3.630 3.405 2.572 3.555 . 0 0 "[ . 1 . 2]" 1
700 1 51 ARG H 1 51 ARG QD . . 4.620 3.709 3.032 4.165 . 0 0 "[ . 1 . 2]" 1
701 1 51 ARG H 1 51 ARG QG . . 3.240 2.184 1.976 2.418 . 0 0 "[ . 1 . 2]" 1
702 1 51 ARG H 1 52 LYS H . . 3.800 2.697 2.380 2.851 . 0 0 "[ . 1 . 2]" 1
703 1 51 ARG H 1 53 CYS H . . 5.130 4.032 3.814 4.182 . 0 0 "[ . 1 . 2]" 1
704 1 51 ARG HA 1 51 ARG QG . . 3.670 2.545 2.351 3.331 . 0 0 "[ . 1 . 2]" 1
705 1 51 ARG HA 1 53 CYS H . . 4.120 3.621 3.324 3.846 . 0 0 "[ . 1 . 2]" 1
706 1 51 ARG HB2 1 51 ARG QD . . 3.670 2.493 2.069 3.374 . 0 0 "[ . 1 . 2]" 1
707 1 51 ARG HB2 1 52 LYS H . . 4.830 2.919 2.513 4.044 . 0 0 "[ . 1 . 2]" 1
708 1 52 LYS H 1 52 LYS HB2 . . 3.390 2.432 2.298 2.515 . 0 0 "[ . 1 . 2]" 1
709 1 52 LYS H 1 52 LYS HB3 . . 3.970 3.534 3.515 3.544 . 0 0 "[ . 1 . 2]" 1
710 1 52 LYS H 1 52 LYS QD . . 4.120 3.871 1.934 4.134 0.014 5 0 "[ . 1 . 2]" 1
711 1 52 LYS H 1 52 LYS QE . . 5.130 4.479 3.632 4.865 . 0 0 "[ . 1 . 2]" 1
712 1 52 LYS H 1 52 LYS HG2 . . 3.710 2.557 2.066 3.724 0.014 2 0 "[ . 1 . 2]" 1
713 1 52 LYS H 1 52 LYS HG3 . . 3.540 2.867 2.386 3.494 . 0 0 "[ . 1 . 2]" 1
714 1 52 LYS H 1 53 CYS H . . 3.290 2.687 2.490 2.809 . 0 0 "[ . 1 . 2]" 1
715 1 52 LYS H 1 53 CYS HB2 . . 4.770 4.517 4.323 4.675 . 0 0 "[ . 1 . 2]" 1
716 1 52 LYS H 1 103 VAL MG1 . . 4.710 4.669 4.489 4.725 0.015 2 0 "[ . 1 . 2]" 1
717 1 52 LYS HA 1 52 LYS QD . . 3.710 2.940 2.134 3.727 0.017 2 0 "[ . 1 . 2]" 1
718 1 52 LYS HA 1 52 LYS QE . . 4.620 4.305 3.465 4.629 0.009 16 0 "[ . 1 . 2]" 1
719 1 52 LYS HA 1 52 LYS HG2 . . 3.380 2.516 2.283 3.279 . 0 0 "[ . 1 . 2]" 1
720 1 52 LYS HA 1 52 LYS HG3 . . 3.910 3.484 2.295 3.736 . 0 0 "[ . 1 . 2]" 1
721 1 52 LYS HA 1 77 ASN HD21 . . 3.750 3.594 3.246 3.794 0.044 10 0 "[ . 1 . 2]" 1
722 1 52 LYS HA 1 77 ASN HD22 . . 3.850 2.685 2.370 3.083 . 0 0 "[ . 1 . 2]" 1
723 1 52 LYS HB2 1 53 CYS H . . 4.270 3.208 3.016 3.400 . 0 0 "[ . 1 . 2]" 1
724 1 52 LYS HB2 1 77 ASN HD21 . . 4.960 4.686 4.446 4.880 . 0 0 "[ . 1 . 2]" 1
725 1 52 LYS HB2 1 77 ASN HD22 . . 5.350 4.246 3.866 4.583 . 0 0 "[ . 1 . 2]" 1
726 1 52 LYS HB2 1 103 VAL MG1 . . 3.710 3.125 2.866 3.307 . 0 0 "[ . 1 . 2]" 1
727 1 52 LYS HB2 1 104 ASN HD21 . . 5.040 3.502 2.897 4.375 . 0 0 "[ . 1 . 2]" 1
728 1 52 LYS HB2 1 104 ASN HD22 . . 5.230 3.946 2.506 4.711 . 0 0 "[ . 1 . 2]" 1
729 1 52 LYS HB3 1 53 CYS H . . 4.490 4.080 3.824 4.272 . 0 0 "[ . 1 . 2]" 1
730 1 52 LYS HB3 1 77 ASN HB3 . . 4.620 4.409 3.846 4.636 0.016 13 0 "[ . 1 . 2]" 1
731 1 52 LYS HB3 1 77 ASN HD21 . . 4.390 3.140 2.754 3.405 . 0 0 "[ . 1 . 2]" 1
732 1 52 LYS HB3 1 77 ASN HD22 . . 4.420 2.650 2.226 3.073 . 0 0 "[ . 1 . 2]" 1
733 1 52 LYS HB3 1 103 VAL MG1 . . 3.910 3.511 3.185 3.823 . 0 0 "[ . 1 . 2]" 1
734 1 52 LYS HB3 1 103 VAL MG2 . . 4.040 2.696 2.274 3.063 . 0 0 "[ . 1 . 2]" 1
735 1 52 LYS HB3 1 104 ASN HD21 . . 4.220 3.393 2.817 4.202 . 0 0 "[ . 1 . 2]" 1
736 1 52 LYS HB3 1 104 ASN HD22 . . 4.620 3.820 1.945 4.634 0.014 8 0 "[ . 1 . 2]" 1
737 1 52 LYS QD 1 77 ASN HD22 . . 4.620 2.746 2.070 4.628 0.008 2 0 "[ . 1 . 2]" 1
738 1 52 LYS QD 1 104 ASN HD21 . . 4.120 3.070 2.282 3.970 . 0 0 "[ . 1 . 2]" 1
739 1 52 LYS QD 1 104 ASN HD22 . . 4.040 2.889 2.182 3.594 . 0 0 "[ . 1 . 2]" 1
740 1 52 LYS QE 1 52 LYS HG2 . . 3.540 2.605 2.004 3.153 . 0 0 "[ . 1 . 2]" 1
741 1 52 LYS QE 1 77 ASN HD22 . . 4.850 4.542 4.047 4.854 0.004 2 0 "[ . 1 . 2]" 1
742 1 52 LYS QE 1 104 ASN HD21 . . 4.850 3.911 2.465 4.711 . 0 0 "[ . 1 . 2]" 1
743 1 52 LYS QE 1 104 ASN HD22 . . 4.460 3.302 2.184 4.248 . 0 0 "[ . 1 . 2]" 1
744 1 52 LYS HG2 1 77 ASN HD21 . . 5.350 5.123 4.260 5.360 0.010 15 0 "[ . 1 . 2]" 1
745 1 52 LYS HG2 1 77 ASN HD22 . . 5.130 3.987 2.779 4.396 . 0 0 "[ . 1 . 2]" 1
746 1 53 CYS H 1 53 CYS HB2 . . 3.330 2.150 2.073 2.250 . 0 0 "[ . 1 . 2]" 1
747 1 53 CYS H 1 53 CYS HB3 . . 3.520 3.218 3.130 3.309 . 0 0 "[ . 1 . 2]" 1
748 1 53 CYS H 1 53 CYS HG . . 4.890 4.832 4.712 4.940 0.050 10 0 "[ . 1 . 2]" 1
749 1 53 CYS H 1 54 SER H . . 5.230 4.548 4.351 4.632 . 0 0 "[ . 1 . 2]" 1
750 1 53 CYS H 1 103 VAL MG1 . . 4.150 3.460 3.170 3.749 . 0 0 "[ . 1 . 2]" 1
751 1 53 CYS HA 1 53 CYS HG . . 4.120 3.086 2.715 3.637 . 0 0 "[ . 1 . 2]" 1
752 1 53 CYS HA 1 54 SER H . . 3.180 2.347 2.221 2.637 . 0 0 "[ . 1 . 2]" 1
753 1 53 CYS HA 1 103 VAL HB . . 4.210 3.562 3.265 3.877 . 0 0 "[ . 1 . 2]" 1
754 1 53 CYS HA 1 103 VAL MG1 . . 3.360 2.696 2.112 3.010 . 0 0 "[ . 1 . 2]" 1
755 1 53 CYS HA 1 103 VAL MG2 . . 3.670 3.396 3.094 3.666 . 0 0 "[ . 1 . 2]" 1
756 1 53 CYS HB2 1 54 SER H . . 5.040 4.354 3.904 4.683 . 0 0 "[ . 1 . 2]" 1
757 1 53 CYS HB2 1 103 VAL MG1 . . 3.800 3.139 2.771 3.363 . 0 0 "[ . 1 . 2]" 1
758 1 53 CYS HB3 1 54 SER H . . 4.620 3.325 2.559 4.035 . 0 0 "[ . 1 . 2]" 1
759 1 53 CYS HG 1 54 SER H . . 3.870 3.416 2.939 3.800 . 0 0 "[ . 1 . 2]" 1
760 1 53 CYS HG 1 102 LEU HB3 . . 4.620 3.559 3.315 3.775 . 0 0 "[ . 1 . 2]" 1
761 1 53 CYS HG 1 102 LEU MD1 . . 4.320 4.188 3.994 4.316 . 0 0 "[ . 1 . 2]" 1
762 1 53 CYS HG 1 102 LEU MD2 . . 4.210 1.835 1.800 1.905 . 0 0 "[ . 1 . 2]" 1
763 1 53 CYS HG 1 103 VAL MG1 . . 4.460 3.368 3.110 3.508 . 0 0 "[ . 1 . 2]" 1
764 1 54 SER H 1 54 SER HB2 . . 3.480 2.554 2.295 2.999 . 0 0 "[ . 1 . 2]" 1
765 1 54 SER H 1 54 SER HB3 . . 3.570 3.129 2.868 3.447 . 0 0 "[ . 1 . 2]" 1
766 1 54 SER H 1 57 GLN H . . 4.960 3.810 3.664 3.955 . 0 0 "[ . 1 . 2]" 1
767 1 54 SER H 1 57 GLN HA . . 4.210 3.678 3.483 3.962 . 0 0 "[ . 1 . 2]" 1
768 1 54 SER H 1 57 GLN HB2 . . 4.040 2.026 1.940 2.147 . 0 0 "[ . 1 . 2]" 1
769 1 54 SER H 1 57 GLN HG2 . . 4.890 4.011 3.801 4.285 . 0 0 "[ . 1 . 2]" 1
770 1 54 SER H 1 75 GLY HA3 . . 5.350 4.889 4.453 5.349 . 0 0 "[ . 1 . 2]" 1
771 1 54 SER HB2 1 57 GLN H . . 5.350 4.570 4.052 4.872 . 0 0 "[ . 1 . 2]" 1
772 1 54 SER HB2 1 57 GLN HA . . 3.630 3.326 2.737 3.643 0.013 17 0 "[ . 1 . 2]" 1
773 1 54 SER HB2 1 57 GLN HB2 . . 4.460 3.443 3.015 3.715 . 0 0 "[ . 1 . 2]" 1
774 1 54 SER HB2 1 57 GLN HB3 . . 5.230 5.056 4.594 5.239 0.009 20 0 "[ . 1 . 2]" 1
775 1 54 SER HB2 1 75 GLY HA2 . . 3.910 3.753 3.367 3.975 0.065 4 0 "[ . 1 . 2]" 1
776 1 54 SER HB2 1 75 GLY HA3 . . 3.910 3.428 2.980 3.773 . 0 0 "[ . 1 . 2]" 1
777 1 54 SER HB2 1 76 VAL H . . 4.850 3.848 3.461 4.149 . 0 0 "[ . 1 . 2]" 1
778 1 54 SER HB3 1 55 ARG H . . 5.350 3.614 3.169 3.779 . 0 0 "[ . 1 . 2]" 1
779 1 54 SER HB3 1 56 ASN H . . 4.960 2.583 2.411 2.692 . 0 0 "[ . 1 . 2]" 1
780 1 54 SER HB3 1 57 GLN H . . 4.620 3.552 3.312 3.981 . 0 0 "[ . 1 . 2]" 1
781 1 54 SER HB3 1 57 GLN HA . . 3.480 2.909 2.615 3.467 . 0 0 "[ . 1 . 2]" 1
782 1 54 SER HB3 1 57 GLN HB2 . . 4.210 3.528 3.285 4.030 . 0 0 "[ . 1 . 2]" 1
783 1 54 SER HB3 1 57 GLN HB3 . . 4.620 4.757 4.486 5.237 0.617 19 4 "[ *.* 1 - . +2]" 1
784 1 54 SER HB3 1 75 GLY H . . 5.350 5.282 4.947 5.713 0.363 19 0 "[ . 1 . 2]" 1
785 1 54 SER HB3 1 75 GLY HA2 . . 4.320 3.479 3.072 3.915 . 0 0 "[ . 1 . 2]" 1
786 1 54 SER HB3 1 75 GLY HA3 . . 4.320 3.570 3.191 3.882 . 0 0 "[ . 1 . 2]" 1
787 1 54 SER HB3 1 76 VAL H . . 5.130 4.771 4.473 5.062 . 0 0 "[ . 1 . 2]" 1
788 1 55 ARG H 1 55 ARG HG2 . . 5.130 3.648 3.130 4.030 . 0 0 "[ . 1 . 2]" 1
789 1 55 ARG H 1 56 ASN H . . 5.230 2.966 2.942 3.030 . 0 0 "[ . 1 . 2]" 1
790 1 55 ARG HA 1 55 ARG QD . . 4.210 3.795 3.539 4.125 . 0 0 "[ . 1 . 2]" 1
791 1 55 ARG HA 1 55 ARG HG2 . . 3.630 2.165 1.988 2.954 . 0 0 "[ . 1 . 2]" 1
792 1 55 ARG HA 1 55 ARG HG3 . . 4.040 2.960 2.562 3.116 . 0 0 "[ . 1 . 2]" 1
793 1 55 ARG QB 1 55 ARG QD . . 3.450 2.084 1.962 2.400 . 0 0 "[ . 1 . 2]" 1
794 1 55 ARG QB 1 56 ASN H . . 4.660 2.814 2.627 2.938 . 0 0 "[ . 1 . 2]" 1
795 1 55 ARG QB 1 56 ASN HD21 . . 5.130 4.306 2.026 5.088 . 0 0 "[ . 1 . 2]" 1
796 1 55 ARG QB 1 56 ASN HD22 . . 5.230 4.039 3.078 4.437 . 0 0 "[ . 1 . 2]" 1
797 1 56 ASN H 1 56 ASN HB2 . . 3.910 3.166 2.403 3.667 . 0 0 "[ . 1 . 2]" 1
798 1 56 ASN H 1 56 ASN HD21 . . 5.490 4.089 1.897 5.085 . 0 0 "[ . 1 . 2]" 1
799 1 56 ASN HA 1 57 GLN H . . 3.330 2.640 2.571 2.700 . 0 0 "[ . 1 . 2]" 1
800 1 56 ASN HA 1 57 GLN HA . . 4.620 4.628 4.587 4.654 0.034 11 0 "[ . 1 . 2]" 1
801 1 56 ASN HA 1 58 VAL H . . 4.570 3.735 3.388 4.164 . 0 0 "[ . 1 . 2]" 1
802 1 56 ASN HB3 1 57 GLN H . . 4.960 4.592 4.338 4.727 . 0 0 "[ . 1 . 2]" 1
803 1 56 ASN HB3 1 74 LEU QD . . 3.570 2.843 1.972 3.713 0.143 16 0 "[ . 1 . 2]" 1
804 1 56 ASN HD21 1 74 LEU QD . . 5.130 4.073 3.131 5.101 . 0 0 "[ . 1 . 2]" 1
805 1 56 ASN HD22 1 74 LEU QD . . 5.500 5.015 4.516 5.304 . 0 0 "[ . 1 . 2]" 1
806 1 57 GLN H 1 57 GLN HB2 . . 3.870 2.680 2.577 2.853 . 0 0 "[ . 1 . 2]" 1
807 1 57 GLN H 1 57 GLN HB3 . . 3.750 2.302 2.180 2.378 . 0 0 "[ . 1 . 2]" 1
808 1 57 GLN H 1 57 GLN HG2 . . 4.770 4.567 4.502 4.591 . 0 0 "[ . 1 . 2]" 1
809 1 57 GLN H 1 57 GLN HG3 . . 4.420 4.272 4.110 4.352 . 0 0 "[ . 1 . 2]" 1
810 1 57 GLN H 1 58 VAL H . . 3.370 2.680 2.509 2.811 . 0 0 "[ . 1 . 2]" 1
811 1 57 GLN H 1 58 VAL MG2 . . 4.270 4.079 3.798 4.284 0.014 19 0 "[ . 1 . 2]" 1
812 1 57 GLN HA 1 74 LEU H . . 5.130 3.948 3.714 4.331 . 0 0 "[ . 1 . 2]" 1
813 1 57 GLN HA 1 75 GLY H . . 3.900 3.209 3.004 3.529 . 0 0 "[ . 1 . 2]" 1
814 1 57 GLN HA 1 75 GLY HA2 . . 3.800 3.346 2.997 3.642 . 0 0 "[ . 1 . 2]" 1
815 1 57 GLN HA 1 75 GLY HA3 . . 3.970 2.329 2.082 2.482 . 0 0 "[ . 1 . 2]" 1
816 1 57 GLN HA 1 76 VAL H . . 5.040 4.275 3.958 4.503 . 0 0 "[ . 1 . 2]" 1
817 1 57 GLN HB2 1 58 VAL H . . 4.220 3.997 3.825 4.210 . 0 0 "[ . 1 . 2]" 1
818 1 57 GLN HB2 1 102 LEU MD2 . . 4.460 3.485 3.252 3.797 . 0 0 "[ . 1 . 2]" 1
819 1 57 GLN HB2 1 103 VAL HB . . 4.620 4.529 4.181 4.636 0.016 7 0 "[ . 1 . 2]" 1
820 1 57 GLN HB3 1 58 VAL H . . 3.820 2.647 2.370 2.967 . 0 0 "[ . 1 . 2]" 1
821 1 57 GLN HB3 1 58 VAL MG2 . . 3.970 2.902 2.647 3.125 . 0 0 "[ . 1 . 2]" 1
822 1 57 GLN HE21 1 58 VAL MG1 . . 3.970 2.724 1.900 3.089 . 0 0 "[ . 1 . 2]" 1
823 1 57 GLN HE21 1 58 VAL MG2 . . 4.460 4.168 3.368 4.464 0.004 3 0 "[ . 1 . 2]" 1
824 1 57 GLN HE21 1 73 GLN HE22 . . 5.500 5.284 4.970 5.505 0.005 20 0 "[ . 1 . 2]" 1
825 1 57 GLN HE21 1 73 GLN HG3 . . 4.620 3.746 3.207 4.245 . 0 0 "[ . 1 . 2]" 1
826 1 57 GLN HE21 1 75 GLY H . . 5.230 4.774 4.371 5.174 . 0 0 "[ . 1 . 2]" 1
827 1 57 GLN HE21 1 79 SER H . . 5.130 3.766 3.549 4.006 . 0 0 "[ . 1 . 2]" 1
828 1 57 GLN HE21 1 79 SER HG . . 4.330 2.537 1.947 3.402 . 0 0 "[ . 1 . 2]" 1
829 1 57 GLN HE21 1 102 LEU HA . . 5.350 5.160 4.730 5.354 0.004 15 0 "[ . 1 . 2]" 1
830 1 57 GLN HE21 1 103 VAL MG2 . . 4.960 4.083 3.665 4.889 . 0 0 "[ . 1 . 2]" 1
831 1 57 GLN HE22 1 58 VAL MG1 . . 5.490 3.877 3.301 4.224 . 0 0 "[ . 1 . 2]" 1
832 1 57 GLN HE22 1 73 GLN HE21 . . 5.230 4.365 3.809 4.808 . 0 0 "[ . 1 . 2]" 1
833 1 57 GLN HE22 1 73 GLN HE22 . . 5.490 4.202 3.736 4.544 . 0 0 "[ . 1 . 2]" 1
834 1 57 GLN HE22 1 73 GLN HG3 . . 5.130 3.437 2.824 4.265 . 0 0 "[ . 1 . 2]" 1
835 1 57 GLN HE22 1 76 VAL H . . 5.350 3.672 3.126 4.391 . 0 0 "[ . 1 . 2]" 1
836 1 57 GLN HE22 1 77 ASN H . . 4.570 3.375 2.900 4.359 . 0 0 "[ . 1 . 2]" 1
837 1 57 GLN HE22 1 77 ASN HB2 . . 4.890 2.801 2.241 3.634 . 0 0 "[ . 1 . 2]" 1
838 1 57 GLN HE22 1 78 PRO QD . . 5.230 4.821 4.578 5.249 0.019 20 0 "[ . 1 . 2]" 1
839 1 57 GLN HE22 1 79 SER HG . . 4.620 4.151 3.125 4.703 0.083 20 0 "[ . 1 . 2]" 1
840 1 57 GLN HE22 1 103 VAL HB . . 4.620 4.442 3.936 4.625 0.005 13 0 "[ . 1 . 2]" 1
841 1 57 GLN HE22 1 103 VAL MG2 . . 4.660 3.838 3.342 4.639 . 0 0 "[ . 1 . 2]" 1
842 1 57 GLN HG2 1 58 VAL H . . 4.960 4.461 4.142 4.876 . 0 0 "[ . 1 . 2]" 1
843 1 57 GLN HG2 1 58 VAL MG1 . . 3.710 3.420 3.142 3.702 . 0 0 "[ . 1 . 2]" 1
844 1 57 GLN HG2 1 58 VAL MG2 . . 4.120 3.390 2.986 3.668 . 0 0 "[ . 1 . 2]" 1
845 1 57 GLN HG2 1 79 SER HG . . 4.460 3.439 3.132 4.485 0.025 20 0 "[ . 1 . 2]" 1
846 1 57 GLN HG2 1 102 LEU HB3 . . 4.620 4.254 3.681 4.512 . 0 0 "[ . 1 . 2]" 1
847 1 57 GLN HG2 1 102 LEU MD2 . . 4.210 2.913 2.652 3.383 . 0 0 "[ . 1 . 2]" 1
848 1 57 GLN HG2 1 102 LEU HG . . 4.620 4.277 3.821 4.562 . 0 0 "[ . 1 . 2]" 1
849 1 57 GLN HG2 1 103 VAL HB . . 4.460 2.880 2.654 3.004 . 0 0 "[ . 1 . 2]" 1
850 1 57 GLN HG3 1 58 VAL H . . 4.570 3.356 2.950 3.798 . 0 0 "[ . 1 . 2]" 1
851 1 57 GLN HG3 1 58 VAL MG1 . . 3.320 2.020 1.917 2.270 . 0 0 "[ . 1 . 2]" 1
852 1 57 GLN HG3 1 58 VAL MG2 . . 4.210 2.522 1.970 2.847 . 0 0 "[ . 1 . 2]" 1
853 1 57 GLN HG3 1 79 SER HG . . 4.460 3.052 2.409 4.033 . 0 0 "[ . 1 . 2]" 1
854 1 57 GLN HG3 1 103 VAL HB . . 4.460 4.424 4.142 4.478 0.018 20 0 "[ . 1 . 2]" 1
855 1 58 VAL H 1 58 VAL MG1 . . 4.120 3.340 3.131 3.541 . 0 0 "[ . 1 . 2]" 1
856 1 58 VAL H 1 58 VAL MG2 . . 3.240 2.127 1.948 2.422 . 0 0 "[ . 1 . 2]" 1
857 1 58 VAL H 1 59 GLU H . . 5.130 4.398 4.350 4.429 . 0 0 "[ . 1 . 2]" 1
858 1 58 VAL H 1 74 LEU H . . 4.710 4.308 4.056 4.576 . 0 0 "[ . 1 . 2]" 1
859 1 58 VAL HA 1 58 VAL MG1 . . 3.190 2.192 2.077 2.316 . 0 0 "[ . 1 . 2]" 1
860 1 58 VAL HA 1 58 VAL MG2 . . 3.540 3.194 3.169 3.207 . 0 0 "[ . 1 . 2]" 1
861 1 58 VAL HA 1 59 GLU H . . 3.060 2.469 2.371 2.604 . 0 0 "[ . 1 . 2]" 1
862 1 58 VAL HA 1 59 GLU HB3 . . 4.970 4.664 4.316 5.005 0.035 20 0 "[ . 1 . 2]" 1
863 1 58 VAL HA 1 71 VAL MG1 . . 4.320 4.040 3.798 4.325 0.005 8 0 "[ . 1 . 2]" 1
864 1 58 VAL HA 1 72 LYS H . . 5.130 4.213 3.929 4.518 . 0 0 "[ . 1 . 2]" 1
865 1 58 VAL HA 1 73 GLN H . . 5.500 4.556 4.371 4.846 . 0 0 "[ . 1 . 2]" 1
866 1 58 VAL HA 1 73 GLN HA . . 3.570 2.257 1.994 2.617 . 0 0 "[ . 1 . 2]" 1
867 1 58 VAL HA 1 74 LEU H . . 3.480 2.466 2.179 2.685 . 0 0 "[ . 1 . 2]" 1
868 1 58 VAL HA 1 74 LEU QD . . 4.460 2.999 2.585 3.461 . 0 0 "[ . 1 . 2]" 1
869 1 58 VAL HA 1 74 LEU HG . . 3.800 2.993 2.296 3.360 . 0 0 "[ . 1 . 2]" 1
870 1 58 VAL HA 1 75 GLY H . . 4.770 4.076 3.713 4.483 . 0 0 "[ . 1 . 2]" 1
871 1 58 VAL HB 1 59 GLU H . . 3.440 2.497 2.218 2.716 . 0 0 "[ . 1 . 2]" 1
872 1 58 VAL HB 1 74 LEU H . . 5.130 4.911 4.622 5.116 . 0 0 "[ . 1 . 2]" 1
873 1 58 VAL MG1 1 59 GLU H . . 3.850 3.537 3.297 3.732 . 0 0 "[ . 1 . 2]" 1
874 1 58 VAL MG1 1 71 VAL MG1 . . 3.300 2.518 2.223 2.758 . 0 0 "[ . 1 . 2]" 1
875 1 58 VAL MG1 1 73 GLN HA . . 3.240 2.007 1.910 2.217 . 0 0 "[ . 1 . 2]" 1
876 1 58 VAL MG1 1 73 GLN HG3 . . 3.450 3.168 2.879 3.567 0.117 18 0 "[ . 1 . 2]" 1
877 1 58 VAL MG1 1 74 LEU H . . 3.850 3.278 2.995 3.625 . 0 0 "[ . 1 . 2]" 1
878 1 58 VAL MG1 1 75 GLY H . . 4.960 3.845 3.509 4.205 . 0 0 "[ . 1 . 2]" 1
879 1 58 VAL MG1 1 79 SER H . . 4.620 4.187 4.006 4.361 . 0 0 "[ . 1 . 2]" 1
880 1 58 VAL MG1 1 79 SER HB2 . . 3.750 2.631 2.439 2.792 . 0 0 "[ . 1 . 2]" 1
881 1 58 VAL MG1 1 79 SER HB3 . . 3.600 2.966 2.705 3.140 . 0 0 "[ . 1 . 2]" 1
882 1 58 VAL MG1 1 102 LEU HA . . 4.620 4.125 3.747 4.494 . 0 0 "[ . 1 . 2]" 1
883 1 58 VAL MG2 1 59 GLU H . . 3.800 3.735 3.574 3.839 0.039 15 0 "[ . 1 . 2]" 1
884 1 58 VAL MG2 1 73 GLN HA . . 4.620 4.455 4.287 4.621 0.001 15 0 "[ . 1 . 2]" 1
885 1 58 VAL MG2 1 102 LEU HA . . 4.850 3.209 2.949 3.431 . 0 0 "[ . 1 . 2]" 1
886 1 59 GLU H 1 59 GLU HB3 . . 3.800 2.634 2.417 2.911 . 0 0 "[ . 1 . 2]" 1
887 1 59 GLU H 1 60 LEU H . . 5.040 4.180 4.010 4.400 . 0 0 "[ . 1 . 2]" 1
888 1 59 GLU H 1 72 LYS QB . . 4.330 3.345 3.149 3.646 . 0 0 "[ . 1 . 2]" 1
889 1 59 GLU H 1 73 GLN H . . 5.130 4.755 4.539 5.012 . 0 0 "[ . 1 . 2]" 1
890 1 59 GLU H 1 73 GLN HA . . 4.770 3.846 3.579 4.124 . 0 0 "[ . 1 . 2]" 1
891 1 59 GLU H 1 74 LEU H . . 4.660 4.402 4.201 4.631 . 0 0 "[ . 1 . 2]" 1
892 1 59 GLU H 1 74 LEU QD . . 4.320 2.941 2.456 3.452 . 0 0 "[ . 1 . 2]" 1
893 1 59 GLU H 1 74 LEU HG . . 4.270 3.582 3.172 3.796 . 0 0 "[ . 1 . 2]" 1
894 1 59 GLU HA 1 59 GLU HG2 . . 4.120 3.292 2.705 3.554 . 0 0 "[ . 1 . 2]" 1
895 1 59 GLU HA 1 59 GLU HG3 . . 3.910 2.444 2.119 2.755 . 0 0 "[ . 1 . 2]" 1
896 1 59 GLU HA 1 60 LEU H . . 3.260 2.213 2.202 2.239 . 0 0 "[ . 1 . 2]" 1
897 1 59 GLU HB2 1 72 LYS H . . 4.180 4.105 3.377 4.482 0.302 2 0 "[ . 1 . 2]" 1
898 1 59 GLU HB2 1 72 LYS QB . . 3.670 3.358 2.596 3.600 . 0 0 "[ . 1 . 2]" 1
899 1 59 GLU HB2 1 74 LEU QD . . 3.150 1.788 1.741 1.874 . 0 0 "[ . 1 . 2]" 1
900 1 59 GLU HB2 1 74 LEU HG . . 4.210 3.343 2.606 3.898 . 0 0 "[ . 1 . 2]" 1
901 1 59 GLU HB3 1 60 LEU H . . 4.830 4.425 4.135 4.619 . 0 0 "[ . 1 . 2]" 1
902 1 59 GLU HB3 1 72 LYS H . . 4.460 2.803 2.401 2.996 . 0 0 "[ . 1 . 2]" 1
903 1 59 GLU HB3 1 72 LYS QB . . 3.570 2.158 1.987 2.454 . 0 0 "[ . 1 . 2]" 1
904 1 59 GLU HB3 1 74 LEU QD . . 3.670 2.676 2.319 2.988 . 0 0 "[ . 1 . 2]" 1
905 1 59 GLU HB3 1 74 LEU HG . . 4.210 3.994 3.396 4.249 0.039 5 0 "[ . 1 . 2]" 1
906 1 59 GLU HG2 1 60 LEU H . . 4.210 3.868 3.097 4.258 0.048 4 0 "[ . 1 . 2]" 1
907 1 59 GLU HG2 1 61 ILE MD . . 4.040 2.471 2.033 3.129 . 0 0 "[ . 1 . 2]" 1
908 1 59 GLU HG2 1 61 ILE HG13 . . 4.320 2.700 2.263 3.189 . 0 0 "[ . 1 . 2]" 1
909 1 59 GLU HG3 1 60 LEU H . . 4.320 3.356 3.019 3.903 . 0 0 "[ . 1 . 2]" 1
910 1 59 GLU HG3 1 74 LEU QD . . 4.040 3.492 2.798 3.834 . 0 0 "[ . 1 . 2]" 1
911 1 60 LEU H 1 60 LEU HB2 . . 3.560 2.228 2.138 2.326 . 0 0 "[ . 1 . 2]" 1
912 1 60 LEU H 1 60 LEU HB3 . . 3.970 3.488 3.393 3.536 . 0 0 "[ . 1 . 2]" 1
913 1 60 LEU H 1 60 LEU MD1 . . 3.570 2.727 2.343 3.051 . 0 0 "[ . 1 . 2]" 1
914 1 60 LEU H 1 60 LEU HG . . 3.970 3.653 3.327 3.914 . 0 0 "[ . 1 . 2]" 1
915 1 60 LEU H 1 61 ILE H . . 5.130 4.566 4.393 4.618 . 0 0 "[ . 1 . 2]" 1
916 1 60 LEU HA 1 60 LEU MD2 . . 3.430 3.309 2.906 3.444 0.014 14 0 "[ . 1 . 2]" 1
917 1 60 LEU HA 1 60 LEU HG . . 3.630 2.213 2.123 2.305 . 0 0 "[ . 1 . 2]" 1
918 1 60 LEU HA 1 61 ILE H . . 2.920 2.253 2.181 2.287 . 0 0 "[ . 1 . 2]" 1
919 1 60 LEU HA 1 69 VAL MG1 . . 3.100 3.084 2.955 3.132 0.032 9 0 "[ . 1 . 2]" 1
920 1 60 LEU HA 1 70 ALA H . . 5.230 4.533 4.301 4.792 . 0 0 "[ . 1 . 2]" 1
921 1 60 LEU HA 1 70 ALA MB . . 4.620 4.562 4.404 4.640 0.020 2 0 "[ . 1 . 2]" 1
922 1 60 LEU HA 1 71 VAL MG1 . . 4.620 4.180 3.792 4.458 . 0 0 "[ . 1 . 2]" 1
923 1 60 LEU HA 1 72 LYS H . . 4.570 4.316 4.205 4.528 . 0 0 "[ . 1 . 2]" 1
924 1 60 LEU HB2 1 60 LEU MD1 . . 2.990 2.055 1.961 2.202 . 0 0 "[ . 1 . 2]" 1
925 1 60 LEU HB2 1 61 ILE H . . 4.460 4.285 4.206 4.488 0.028 6 0 "[ . 1 . 2]" 1
926 1 60 LEU HB3 1 60 LEU MD2 . . 2.860 2.085 1.956 2.187 . 0 0 "[ . 1 . 2]" 1
927 1 60 LEU HB3 1 61 ILE H . . 4.210 3.144 3.007 3.536 . 0 0 "[ . 1 . 2]" 1
928 1 60 LEU HB3 1 69 VAL MG1 . . 3.220 2.930 2.723 3.158 . 0 0 "[ . 1 . 2]" 1
929 1 60 LEU HG 1 71 VAL HA . . 3.710 3.594 3.409 3.718 0.008 15 0 "[ . 1 . 2]" 1
930 1 60 LEU HG 1 71 VAL MG1 . . 3.970 3.392 2.946 3.787 . 0 0 "[ . 1 . 2]" 1
931 1 61 ILE H 1 61 ILE HB . . 3.540 2.692 2.604 2.841 . 0 0 "[ . 1 . 2]" 1
932 1 61 ILE H 1 61 ILE MD . . 4.320 3.863 1.880 4.277 . 0 0 "[ . 1 . 2]" 1
933 1 61 ILE H 1 61 ILE HG12 . . 4.620 4.446 4.067 4.642 0.022 20 0 "[ . 1 . 2]" 1
934 1 61 ILE H 1 61 ILE HG13 . . 4.210 3.335 3.223 3.512 . 0 0 "[ . 1 . 2]" 1
935 1 61 ILE H 1 61 ILE MG . . 4.040 3.789 3.706 3.907 . 0 0 "[ . 1 . 2]" 1
936 1 61 ILE H 1 62 ALA H . . 4.960 4.150 4.051 4.251 . 0 0 "[ . 1 . 2]" 1
937 1 61 ILE H 1 69 VAL HA . . 4.890 3.939 3.777 4.120 . 0 0 "[ . 1 . 2]" 1
938 1 61 ILE H 1 69 VAL MG1 . . 3.320 2.047 1.907 2.388 . 0 0 "[ . 1 . 2]" 1
939 1 61 ILE H 1 70 ALA MB . . 3.950 3.676 3.399 3.895 . 0 0 "[ . 1 . 2]" 1
940 1 61 ILE HA 1 61 ILE MD . . 3.800 3.780 3.417 3.832 0.032 11 0 "[ . 1 . 2]" 1
941 1 61 ILE HA 1 61 ILE HG12 . . 3.970 2.732 2.474 3.745 . 0 0 "[ . 1 . 2]" 1
942 1 61 ILE HA 1 61 ILE HG13 . . 3.600 2.624 2.351 2.869 . 0 0 "[ . 1 . 2]" 1
943 1 61 ILE HA 1 61 ILE MG . . 2.910 2.480 2.269 2.571 . 0 0 "[ . 1 . 2]" 1
944 1 61 ILE HA 1 62 ALA H . . 3.020 2.178 2.176 2.189 . 0 0 "[ . 1 . 2]" 1
945 1 61 ILE HA 1 62 ALA MB . . 3.800 3.867 3.853 3.887 0.087 20 0 "[ . 1 . 2]" 1
946 1 61 ILE HB 1 61 ILE MD . . 3.120 2.142 1.988 2.385 . 0 0 "[ . 1 . 2]" 1
947 1 61 ILE HB 1 62 ALA H . . 4.770 4.445 4.217 4.534 . 0 0 "[ . 1 . 2]" 1
948 1 61 ILE HB 1 70 ALA H . . 4.530 2.726 2.553 2.927 . 0 0 "[ . 1 . 2]" 1
949 1 61 ILE HB 1 70 ALA MB . . 3.110 2.394 2.072 2.612 . 0 0 "[ . 1 . 2]" 1
950 1 61 ILE MD 1 70 ALA MB . . 3.210 2.490 1.806 2.958 . 0 0 "[ . 1 . 2]" 1
951 1 61 ILE HG13 1 61 ILE MG . . 3.300 3.155 2.553 3.226 . 0 0 "[ . 1 . 2]" 1
952 1 61 ILE MG 1 62 ALA H . . 3.500 2.760 2.537 3.004 . 0 0 "[ . 1 . 2]" 1
953 1 62 ALA H 1 62 ALA MB . . 3.080 1.979 1.965 2.009 . 0 0 "[ . 1 . 2]" 1
954 1 62 ALA H 1 63 ASP H . . 5.230 4.539 4.465 4.604 . 0 0 "[ . 1 . 2]" 1
955 1 62 ALA H 1 64 PRO HD3 . . 5.230 5.101 5.047 5.163 . 0 0 "[ . 1 . 2]" 1
956 1 62 ALA HA 1 63 ASP H . . 3.260 2.198 2.186 2.232 . 0 0 "[ . 1 . 2]" 1
957 1 62 ALA HA 1 69 VAL MG2 . . 3.750 2.094 1.975 2.385 . 0 0 "[ . 1 . 2]" 1
958 1 62 ALA MB 1 63 ASP H . . 3.540 3.278 3.122 3.404 . 0 0 "[ . 1 . 2]" 1
959 1 62 ALA MB 1 64 PRO HB3 . . 4.620 4.637 4.581 4.662 0.042 13 0 "[ . 1 . 2]" 1
960 1 62 ALA MB 1 64 PRO HD2 . . 4.460 4.344 4.227 4.460 0.000 18 0 "[ . 1 . 2]" 1
961 1 62 ALA MB 1 64 PRO HD3 . . 3.750 2.814 2.710 2.908 . 0 0 "[ . 1 . 2]" 1
962 1 62 ALA MB 1 64 PRO HG3 . . 4.120 3.722 3.628 3.849 . 0 0 "[ . 1 . 2]" 1
963 1 63 ASP H 1 63 ASP HB2 . . 3.850 2.541 2.322 2.872 . 0 0 "[ . 1 . 2]" 1
964 1 63 ASP H 1 63 ASP HB3 . . 3.710 3.368 2.748 3.788 0.078 17 0 "[ . 1 . 2]" 1
965 1 63 ASP H 1 64 PRO HD3 . . 5.350 3.513 3.353 3.602 . 0 0 "[ . 1 . 2]" 1
966 1 63 ASP H 1 68 THR H . . 4.460 3.539 3.303 3.838 . 0 0 "[ . 1 . 2]" 1
967 1 63 ASP H 1 69 VAL MG2 . . 3.910 2.488 2.281 2.836 . 0 0 "[ . 1 . 2]" 1
968 1 63 ASP HA 1 64 PRO HD2 . . 3.070 2.259 2.248 2.269 . 0 0 "[ . 1 . 2]" 1
969 1 63 ASP HA 1 64 PRO HD3 . . 3.150 2.359 2.313 2.397 . 0 0 "[ . 1 . 2]" 1
970 1 63 ASP HA 1 64 PRO HG2 . . 4.620 4.472 4.453 4.488 . 0 0 "[ . 1 . 2]" 1
971 1 63 ASP HA 1 64 PRO HG3 . . 4.460 4.521 4.484 4.552 0.092 3 0 "[ . 1 . 2]" 1
972 1 63 ASP HA 1 65 GLU H . . 4.460 3.145 3.122 3.173 . 0 0 "[ . 1 . 2]" 1
973 1 63 ASP HA 1 68 THR H . . 5.500 4.690 4.562 5.169 . 0 0 "[ . 1 . 2]" 1
974 1 63 ASP HB2 1 66 SER H . . 5.490 4.537 3.596 5.356 . 0 0 "[ . 1 . 2]" 1
975 1 63 ASP HB2 1 68 THR H . . 4.660 3.167 2.156 4.106 . 0 0 "[ . 1 . 2]" 1
976 1 63 ASP HB3 1 66 SER H . . 4.960 3.324 2.922 4.232 . 0 0 "[ . 1 . 2]" 1
977 1 63 ASP HB3 1 67 ARG H . . 5.350 4.550 3.987 5.346 . 0 0 "[ . 1 . 2]" 1
978 1 63 ASP HB3 1 68 THR H . . 4.130 2.970 2.063 4.182 0.052 3 0 "[ . 1 . 2]" 1
979 1 64 PRO HA 1 67 ARG H . . 3.970 2.876 2.694 3.994 0.024 20 0 "[ . 1 . 2]" 1
980 1 64 PRO HA 1 67 ARG HA . . 3.910 2.940 2.749 3.500 . 0 0 "[ . 1 . 2]" 1
981 1 64 PRO HA 1 68 THR H . . 4.830 3.959 3.682 4.355 . 0 0 "[ . 1 . 2]" 1
982 1 64 PRO HA 1 113 TRP HZ3 . . 4.850 2.399 2.000 3.126 . 0 0 "[ . 1 . 2]" 1
983 1 64 PRO HB2 1 65 GLU H . . 4.120 4.028 3.970 4.042 . 0 0 "[ . 1 . 2]" 1
984 1 64 PRO HB2 1 113 TRP HH2 . . 4.850 3.497 2.730 4.442 . 0 0 "[ . 1 . 2]" 1
985 1 64 PRO HB3 1 65 GLU H . . 4.620 4.612 4.583 4.618 . 0 0 "[ . 1 . 2]" 1
986 1 64 PRO HB3 1 113 TRP HH2 . . 4.850 3.589 2.638 4.518 . 0 0 "[ . 1 . 2]" 1
987 1 64 PRO HB3 1 113 TRP HZ3 . . 4.460 2.450 1.999 3.081 . 0 0 "[ . 1 . 2]" 1
988 1 64 PRO HD2 1 65 GLU H . . 3.970 2.715 2.631 2.735 . 0 0 "[ . 1 . 2]" 1
989 1 64 PRO HD3 1 65 GLU H . . 4.420 3.831 3.791 3.840 . 0 0 "[ . 1 . 2]" 1
990 1 64 PRO HG2 1 65 GLU H . . 4.120 3.864 3.761 3.888 . 0 0 "[ . 1 . 2]" 1
991 1 65 GLU H 1 65 GLU QB . . 3.120 2.185 2.004 2.694 . 0 0 "[ . 1 . 2]" 1
992 1 65 GLU H 1 65 GLU QG . . 3.530 2.925 1.872 3.619 0.089 11 0 "[ . 1 . 2]" 1
993 1 65 GLU H 1 66 SER H . . 3.410 2.604 2.362 2.903 . 0 0 "[ . 1 . 2]" 1
994 1 65 GLU HA 1 65 GLU QG . . 3.380 2.449 1.978 3.340 . 0 0 "[ . 1 . 2]" 1
995 1 65 GLU HA 1 67 ARG H . . 5.350 4.472 4.274 5.475 0.125 20 0 "[ . 1 . 2]" 1
996 1 65 GLU QB 1 66 SER H . . 3.600 2.950 2.575 3.641 0.041 20 0 "[ . 1 . 2]" 1
997 1 65 GLU QG 1 66 SER H . . 4.460 3.825 1.963 4.495 0.035 12 0 "[ . 1 . 2]" 1
998 1 66 SER H 1 66 SER HB2 . . 3.970 2.676 2.509 2.925 . 0 0 "[ . 1 . 2]" 1
999 1 66 SER H 1 66 SER HB3 . . 3.910 3.664 3.425 3.868 . 0 0 "[ . 1 . 2]" 1
1000 1 66 SER H 1 67 ARG H . . 3.330 2.190 1.909 2.577 . 0 0 "[ . 1 . 2]" 1
1001 1 66 SER H 1 67 ARG HA . . 4.890 3.994 3.670 4.237 . 0 0 "[ . 1 . 2]" 1
1002 1 66 SER H 1 68 THR H . . 4.620 3.221 2.859 3.698 . 0 0 "[ . 1 . 2]" 1
1003 1 66 SER HB2 1 67 ARG H . . 4.620 4.125 2.888 4.361 . 0 0 "[ . 1 . 2]" 1
1004 1 66 SER HB2 1 68 THR MG . . 3.710 3.287 2.901 3.786 0.076 20 0 "[ . 1 . 2]" 1
1005 1 66 SER HB3 1 67 ARG H . . 4.850 4.319 3.055 4.499 . 0 0 "[ . 1 . 2]" 1
1006 1 66 SER HB3 1 68 THR H . . 5.230 4.849 3.931 5.511 0.281 13 0 "[ . 1 . 2]" 1
1007 1 66 SER HB3 1 68 THR MG . . 3.800 2.858 2.214 3.742 . 0 0 "[ . 1 . 2]" 1
1008 1 67 ARG H 1 67 ARG HD2 . . 4.390 3.817 2.715 4.759 0.369 6 0 "[ . 1 . 2]" 1
1009 1 67 ARG H 1 67 ARG HD3 . . 5.350 3.849 2.664 5.224 . 0 0 "[ . 1 . 2]" 1
1010 1 67 ARG H 1 67 ARG HG2 . . 4.460 3.654 2.416 4.468 0.008 1 0 "[ . 1 . 2]" 1
1011 1 67 ARG H 1 68 THR H . . 3.460 2.954 2.514 3.178 . 0 0 "[ . 1 . 2]" 1
1012 1 67 ARG HA 1 67 ARG HD2 . . 4.620 3.669 2.409 4.622 0.002 14 0 "[ . 1 . 2]" 1
1013 1 67 ARG HA 1 67 ARG HG2 . . 4.040 3.162 2.724 4.054 0.014 20 0 "[ . 1 . 2]" 1
1014 1 67 ARG HA 1 67 ARG HG3 . . 4.040 2.863 2.103 3.853 . 0 0 "[ . 1 . 2]" 1
1015 1 67 ARG HA 1 68 THR H . . 3.580 2.658 2.493 2.869 . 0 0 "[ . 1 . 2]" 1
1016 1 67 ARG HB2 1 67 ARG HD2 . . 3.850 3.207 2.000 3.710 . 0 0 "[ . 1 . 2]" 1
1017 1 67 ARG HB2 1 67 ARG HD3 . . 3.970 2.836 1.998 4.208 0.238 8 0 "[ . 1 . 2]" 1
1018 1 67 ARG HB2 1 68 THR H . . 4.890 4.439 4.290 4.545 . 0 0 "[ . 1 . 2]" 1
1019 1 67 ARG HB2 1 68 THR MG . . 4.320 3.771 3.521 3.975 . 0 0 "[ . 1 . 2]" 1
1020 1 67 ARG HB3 1 68 THR H . . 5.040 4.450 4.356 4.671 . 0 0 "[ . 1 . 2]" 1
1021 1 67 ARG HB3 1 68 THR MG . . 4.620 4.389 4.182 4.714 0.094 20 0 "[ . 1 . 2]" 1
1022 1 68 THR H 1 68 THR MG . . 3.910 3.171 3.020 3.373 . 0 0 "[ . 1 . 2]" 1
1023 1 68 THR H 1 69 VAL H . . 5.040 4.421 4.377 4.474 . 0 0 "[ . 1 . 2]" 1
1024 1 68 THR H 1 69 VAL HA . . 5.230 4.750 4.649 4.914 . 0 0 "[ . 1 . 2]" 1
1025 1 68 THR HA 1 68 THR MG . . 3.140 2.334 2.226 2.399 . 0 0 "[ . 1 . 2]" 1
1026 1 68 THR HA 1 69 VAL H . . 3.190 2.580 2.533 2.601 . 0 0 "[ . 1 . 2]" 1
1027 1 68 THR HA 1 94 LEU H . . 4.960 4.647 4.477 4.863 . 0 0 "[ . 1 . 2]" 1
1028 1 68 THR HA 1 96 LEU H . . 5.230 4.161 3.856 4.527 . 0 0 "[ . 1 . 2]" 1
1029 1 68 THR HA 1 111 LEU QD . . 3.850 3.116 2.858 3.281 . 0 0 "[ . 1 . 2]" 1
1030 1 68 THR HB 1 69 VAL H . . 3.140 2.298 2.261 2.392 . 0 0 "[ . 1 . 2]" 1
1031 1 68 THR HB 1 69 VAL MG2 . . 4.460 4.486 4.441 4.568 0.108 20 0 "[ . 1 . 2]" 1
1032 1 68 THR HB 1 94 LEU H . . 4.460 4.136 3.988 4.280 . 0 0 "[ . 1 . 2]" 1
1033 1 68 THR MG 1 69 VAL H . . 3.670 3.529 3.401 3.738 0.068 20 0 "[ . 1 . 2]" 1
1034 1 68 THR MG 1 93 SER QB . . 4.210 3.861 3.615 4.065 . 0 0 "[ . 1 . 2]" 1
1035 1 68 THR MG 1 94 LEU H . . 5.350 4.793 4.603 5.043 . 0 0 "[ . 1 . 2]" 1
1036 1 68 THR MG 1 95 SER H . . 5.350 5.140 4.783 5.355 0.005 18 0 "[ . 1 . 2]" 1
1037 1 68 THR MG 1 96 LEU H . . 4.460 4.257 3.876 4.466 0.006 20 0 "[ . 1 . 2]" 1
1038 1 69 VAL H 1 69 VAL HB . . 3.630 2.852 2.759 2.915 . 0 0 "[ . 1 . 2]" 1
1039 1 69 VAL H 1 69 VAL MG2 . . 3.700 3.068 2.897 3.183 . 0 0 "[ . 1 . 2]" 1
1040 1 69 VAL H 1 93 SER HA . . 4.890 4.145 3.832 4.358 . 0 0 "[ . 1 . 2]" 1
1041 1 69 VAL H 1 93 SER QB . . 5.230 3.600 3.276 4.212 . 0 0 "[ . 1 . 2]" 1
1042 1 69 VAL H 1 94 LEU H . . 3.800 2.484 2.356 2.614 . 0 0 "[ . 1 . 2]" 1
1043 1 69 VAL H 1 94 LEU HB2 . . 4.220 4.173 3.856 4.254 0.034 13 0 "[ . 1 . 2]" 1
1044 1 69 VAL H 1 94 LEU HB3 . . 4.420 4.296 4.161 4.430 0.010 18 0 "[ . 1 . 2]" 1
1045 1 69 VAL H 1 111 LEU QD . . 4.120 3.500 3.364 3.581 . 0 0 "[ . 1 . 2]" 1
1046 1 69 VAL HA 1 69 VAL MG1 . . 3.570 2.417 2.335 2.524 . 0 0 "[ . 1 . 2]" 1
1047 1 69 VAL HA 1 69 VAL MG2 . . 3.040 2.361 2.291 2.427 . 0 0 "[ . 1 . 2]" 1
1048 1 69 VAL HA 1 70 ALA H . . 3.020 2.229 2.188 2.278 . 0 0 "[ . 1 . 2]" 1
1049 1 69 VAL HA 1 70 ALA MB . . 3.910 3.837 3.801 3.867 . 0 0 "[ . 1 . 2]" 1
1050 1 69 VAL HB 1 70 ALA H . . 4.890 4.194 4.017 4.338 . 0 0 "[ . 1 . 2]" 1
1051 1 69 VAL HB 1 94 LEU H . . 4.360 3.173 2.913 3.418 . 0 0 "[ . 1 . 2]" 1
1052 1 69 VAL HB 1 94 LEU HB2 . . 3.510 2.750 2.118 2.987 . 0 0 "[ . 1 . 2]" 1
1053 1 69 VAL HB 1 94 LEU HB3 . . 3.570 2.710 2.526 2.935 . 0 0 "[ . 1 . 2]" 1
1054 1 69 VAL HB 1 111 LEU QD . . 3.710 2.228 1.960 2.472 . 0 0 "[ . 1 . 2]" 1
1055 1 69 VAL MG1 1 70 ALA H . . 3.190 2.399 2.129 2.787 . 0 0 "[ . 1 . 2]" 1
1056 1 69 VAL MG1 1 94 LEU HB2 . . 3.320 3.212 2.885 3.351 0.031 20 0 "[ . 1 . 2]" 1
1057 1 70 ALA H 1 70 ALA MB . . 2.810 2.122 2.022 2.299 . 0 0 "[ . 1 . 2]" 1
1058 1 70 ALA H 1 94 LEU H . . 4.960 4.731 4.570 4.855 . 0 0 "[ . 1 . 2]" 1
1059 1 70 ALA HA 1 71 VAL H . . 3.030 2.283 2.247 2.302 . 0 0 "[ . 1 . 2]" 1
1060 1 70 ALA MB 1 93 SER HA . . 4.210 3.848 3.683 4.060 . 0 0 "[ . 1 . 2]" 1
1061 1 71 VAL H 1 71 VAL HB . . 3.450 2.628 2.519 2.731 . 0 0 "[ . 1 . 2]" 1
1062 1 71 VAL H 1 71 VAL MG1 . . 4.120 3.812 3.711 3.885 . 0 0 "[ . 1 . 2]" 1
1063 1 71 VAL H 1 91 SER HA . . 5.130 4.426 4.146 4.729 . 0 0 "[ . 1 . 2]" 1
1064 1 71 VAL H 1 91 SER HB2 . . 5.040 4.926 4.726 5.068 0.028 18 0 "[ . 1 . 2]" 1
1065 1 71 VAL H 1 92 GLY H . . 3.940 2.727 2.544 3.006 . 0 0 "[ . 1 . 2]" 1
1066 1 71 VAL H 1 92 GLY HA3 . . 4.830 4.219 4.053 4.358 . 0 0 "[ . 1 . 2]" 1
1067 1 71 VAL H 1 93 SER HA . . 3.800 3.145 2.849 3.624 . 0 0 "[ . 1 . 2]" 1
1068 1 71 VAL HB 1 72 LYS HA . . 5.190 4.906 4.755 5.097 . 0 0 "[ . 1 . 2]" 1
1069 1 71 VAL HB 1 91 SER HA . . 5.190 4.786 4.428 5.209 0.019 18 0 "[ . 1 . 2]" 1
1070 1 71 VAL HB 1 92 GLY H . . 3.710 3.117 2.738 3.397 . 0 0 "[ . 1 . 2]" 1
1071 1 71 VAL HB 1 92 GLY HA3 . . 4.850 3.820 3.423 4.113 . 0 0 "[ . 1 . 2]" 1
1072 1 71 VAL HB 1 93 SER H . . 5.500 4.685 4.194 5.060 . 0 0 "[ . 1 . 2]" 1
1073 1 71 VAL HB 1 93 SER HA . . 4.620 4.215 3.550 4.627 0.007 3 0 "[ . 1 . 2]" 1
1074 1 71 VAL MG1 1 72 LYS H . . 3.600 2.850 2.228 3.183 . 0 0 "[ . 1 . 2]" 1
1075 1 71 VAL MG2 1 93 SER HA . . 3.800 3.564 3.105 3.807 0.007 3 0 "[ . 1 . 2]" 1
1076 1 72 LYS H 1 72 LYS QB . . 3.460 2.479 2.368 2.687 . 0 0 "[ . 1 . 2]" 1
1077 1 72 LYS H 1 72 LYS QD . . 5.130 4.815 4.510 5.059 . 0 0 "[ . 1 . 2]" 1
1078 1 72 LYS H 1 72 LYS HG2 . . 4.620 4.424 4.241 4.591 . 0 0 "[ . 1 . 2]" 1
1079 1 72 LYS H 1 72 LYS HG3 . . 5.130 4.534 4.354 4.732 . 0 0 "[ . 1 . 2]" 1
1080 1 72 LYS H 1 73 GLN H . . 4.770 4.300 4.146 4.440 . 0 0 "[ . 1 . 2]" 1
1081 1 72 LYS H 1 91 SER HA . . 5.490 4.595 4.442 4.792 . 0 0 "[ . 1 . 2]" 1
1082 1 72 LYS HA 1 72 LYS QD . . 4.460 3.697 3.112 4.253 . 0 0 "[ . 1 . 2]" 1
1083 1 72 LYS HA 1 72 LYS HG2 . . 4.040 3.272 2.452 3.703 . 0 0 "[ . 1 . 2]" 1
1084 1 72 LYS HA 1 72 LYS HG3 . . 3.850 2.551 2.424 2.758 . 0 0 "[ . 1 . 2]" 1
1085 1 72 LYS HA 1 73 GLN H . . 3.160 2.182 2.177 2.200 . 0 0 "[ . 1 . 2]" 1
1086 1 72 LYS HA 1 86 LEU MD1 . . 4.040 3.734 3.361 3.920 . 0 0 "[ . 1 . 2]" 1
1087 1 72 LYS HA 1 91 SER H . . 5.350 4.666 4.548 4.846 . 0 0 "[ . 1 . 2]" 1
1088 1 72 LYS HA 1 91 SER HA . . 3.190 2.115 1.994 2.234 . 0 0 "[ . 1 . 2]" 1
1089 1 72 LYS HA 1 91 SER HB2 . . 4.320 4.263 2.713 4.361 0.041 19 0 "[ . 1 . 2]" 1
1090 1 72 LYS HA 1 91 SER HB3 . . 4.210 2.956 2.783 4.245 0.035 3 0 "[ . 1 . 2]" 1
1091 1 72 LYS HA 1 92 GLY H . . 4.120 3.574 3.308 3.909 . 0 0 "[ . 1 . 2]" 1
1092 1 72 LYS QB 1 72 LYS QD . . 3.430 2.052 1.959 2.227 . 0 0 "[ . 1 . 2]" 1
1093 1 72 LYS QB 1 72 LYS QE . . 3.600 2.722 2.155 3.132 . 0 0 "[ . 1 . 2]" 1
1094 1 72 LYS QB 1 73 GLN H . . 4.220 3.872 3.790 3.910 . 0 0 "[ . 1 . 2]" 1
1095 1 72 LYS QB 1 74 LEU QD . . 3.850 2.699 2.139 3.053 . 0 0 "[ . 1 . 2]" 1
1096 1 72 LYS QB 1 91 SER HA . . 4.210 3.512 3.128 4.060 . 0 0 "[ . 1 . 2]" 1
1097 1 72 LYS QB 1 91 SER HB2 . . 4.620 3.997 3.142 4.502 . 0 0 "[ . 1 . 2]" 1
1098 1 72 LYS QB 1 91 SER HB3 . . 4.620 2.522 2.084 4.634 0.014 3 0 "[ . 1 . 2]" 1
1099 1 72 LYS QD 1 73 GLN H . . 4.890 4.480 4.047 4.889 . 0 0 "[ . 1 . 2]" 1
1100 1 72 LYS QD 1 74 LEU QD . . 3.630 2.945 1.820 3.604 . 0 0 "[ . 1 . 2]" 1
1101 1 72 LYS QD 1 89 GLY H . . 5.500 5.477 5.372 5.520 0.020 15 0 "[ . 1 . 2]" 1
1102 1 72 LYS QD 1 89 GLY HA2 . . 4.850 4.227 4.015 4.483 . 0 0 "[ . 1 . 2]" 1
1103 1 72 LYS QE 1 72 LYS HG2 . . 3.910 2.528 1.975 3.490 . 0 0 "[ . 1 . 2]" 1
1104 1 72 LYS QE 1 74 LEU QD . . 3.540 2.705 1.844 3.498 . 0 0 "[ . 1 . 2]" 1
1105 1 72 LYS HG2 1 73 GLN H . . 4.050 3.603 2.680 4.069 0.019 13 0 "[ . 1 . 2]" 1
1106 1 72 LYS HG3 1 73 GLN H . . 4.150 3.060 2.511 4.025 . 0 0 "[ . 1 . 2]" 1
1107 1 72 LYS HG3 1 74 LEU QD . . 3.290 3.326 2.688 4.187 0.897 3 4 "[ + . *-*1 . 2]" 1
1108 1 72 LYS HG3 1 89 GLY H . . 5.500 4.927 4.424 6.169 0.669 9 2 "[ . -+1 . 2]" 1
1109 1 72 LYS HG3 1 90 LEU H . . 5.490 4.849 4.399 5.715 0.225 8 0 "[ . 1 . 2]" 1
1110 1 72 LYS HG3 1 91 SER HA . . 4.850 3.708 3.232 4.009 . 0 0 "[ . 1 . 2]" 1
1111 1 73 GLN H 1 73 GLN HB2 . . 3.760 2.774 2.247 2.880 . 0 0 "[ . 1 . 2]" 1
1112 1 73 GLN H 1 73 GLN HB3 . . 3.540 2.294 2.226 2.781 . 0 0 "[ . 1 . 2]" 1
1113 1 73 GLN H 1 73 GLN HG2 . . 4.620 4.224 4.146 4.311 . 0 0 "[ . 1 . 2]" 1
1114 1 73 GLN H 1 74 LEU H . . 5.490 4.480 4.374 4.556 . 0 0 "[ . 1 . 2]" 1
1115 1 73 GLN H 1 86 LEU HB3 . . 5.040 4.489 4.315 4.686 . 0 0 "[ . 1 . 2]" 1
1116 1 73 GLN H 1 86 LEU MD1 . . 3.710 3.317 2.888 3.497 . 0 0 "[ . 1 . 2]" 1
1117 1 73 GLN H 1 86 LEU MD2 . . 5.230 5.083 4.899 5.192 . 0 0 "[ . 1 . 2]" 1
1118 1 73 GLN H 1 88 PRO HA . . 5.500 5.263 5.154 5.572 0.072 18 0 "[ . 1 . 2]" 1
1119 1 73 GLN H 1 89 GLY H . . 5.040 3.928 3.698 4.101 . 0 0 "[ . 1 . 2]" 1
1120 1 73 GLN H 1 90 LEU H . . 4.660 3.717 3.604 3.913 . 0 0 "[ . 1 . 2]" 1
1121 1 73 GLN H 1 91 SER HA . . 3.970 3.310 3.020 3.434 . 0 0 "[ . 1 . 2]" 1
1122 1 73 GLN H 1 91 SER HB3 . . 5.490 4.724 4.317 5.485 . 0 0 "[ . 1 . 2]" 1
1123 1 73 GLN HA 1 73 GLN HG2 . . 4.040 3.376 2.137 3.496 . 0 0 "[ . 1 . 2]" 1
1124 1 73 GLN HA 1 73 GLN HG3 . . 3.750 2.663 2.544 3.417 . 0 0 "[ . 1 . 2]" 1
1125 1 73 GLN HA 1 74 LEU H . . 3.440 2.205 2.202 2.215 . 0 0 "[ . 1 . 2]" 1
1126 1 73 GLN HA 1 75 GLY H . . 4.210 3.310 3.208 3.376 . 0 0 "[ . 1 . 2]" 1
1127 1 73 GLN HB2 1 86 LEU HB2 . . 3.970 3.938 3.835 4.025 0.055 18 0 "[ . 1 . 2]" 1
1128 1 73 GLN HB2 1 86 LEU HB3 . . 4.210 3.338 2.756 3.575 . 0 0 "[ . 1 . 2]" 1
1129 1 73 GLN HB2 1 86 LEU MD1 . . 3.430 3.119 2.370 3.378 . 0 0 "[ . 1 . 2]" 1
1130 1 73 GLN HB2 1 87 LYS H . . 4.830 4.165 3.252 4.453 . 0 0 "[ . 1 . 2]" 1
1131 1 73 GLN HB2 1 88 PRO HA . . 4.580 4.376 4.234 4.482 . 0 0 "[ . 1 . 2]" 1
1132 1 73 GLN HB2 1 90 LEU H . . 4.830 4.421 3.373 4.788 . 0 0 "[ . 1 . 2]" 1
1133 1 73 GLN HB3 1 86 LEU HB3 . . 4.460 3.681 3.473 4.156 . 0 0 "[ . 1 . 2]" 1
1134 1 73 GLN HB3 1 86 LEU MD1 . . 3.710 3.720 3.620 3.880 0.170 18 0 "[ . 1 . 2]" 1
1135 1 73 GLN HB3 1 87 LYS H . . 4.710 3.714 3.629 3.902 . 0 0 "[ . 1 . 2]" 1
1136 1 73 GLN HB3 1 88 PRO HA . . 4.320 3.211 2.810 3.319 . 0 0 "[ . 1 . 2]" 1
1137 1 73 GLN HB3 1 89 GLY H . . 4.850 2.662 1.922 3.042 . 0 0 "[ . 1 . 2]" 1
1138 1 73 GLN HB3 1 90 LEU H . . 4.200 2.800 2.620 3.048 . 0 0 "[ . 1 . 2]" 1
1139 1 73 GLN HE21 1 73 GLN HG2 . . 3.630 2.221 2.130 3.160 . 0 0 "[ . 1 . 2]" 1
1140 1 73 GLN HE21 1 75 GLY H . . 5.350 4.187 3.894 4.579 . 0 0 "[ . 1 . 2]" 1
1141 1 73 GLN HE21 1 76 VAL HA . . 4.120 3.312 2.816 4.171 0.051 18 0 "[ . 1 . 2]" 1
1142 1 73 GLN HE21 1 78 PRO HA . . 4.330 3.977 2.716 4.241 . 0 0 "[ . 1 . 2]" 1
1143 1 73 GLN HE21 1 79 SER H . . 5.130 4.975 3.549 5.132 0.002 7 0 "[ . 1 . 2]" 1
1144 1 73 GLN HE21 1 87 LYS HA . . 4.890 4.268 3.320 4.586 . 0 0 "[ . 1 . 2]" 1
1145 1 73 GLN HE21 1 88 PRO HA . . 4.180 1.971 1.903 2.842 . 0 0 "[ . 1 . 2]" 1
1146 1 73 GLN HE21 1 88 PRO HD2 . . 5.490 4.655 4.516 4.796 . 0 0 "[ . 1 . 2]" 1
1147 1 73 GLN HE21 1 88 PRO HD3 . . 4.320 3.694 3.409 3.898 . 0 0 "[ . 1 . 2]" 1
1148 1 73 GLN HE21 1 88 PRO HG2 . . 4.460 4.561 4.505 5.201 0.741 18 1 "[ . 1 . + 2]" 1
1149 1 73 GLN HE21 1 88 PRO HG3 . . 4.320 3.666 3.602 4.182 . 0 0 "[ . 1 . 2]" 1
1150 1 73 GLN HE21 1 89 GLY H . . 5.490 3.918 3.837 4.498 . 0 0 "[ . 1 . 2]" 1
1151 1 73 GLN HE22 1 76 VAL HA . . 4.620 4.057 2.584 4.489 . 0 0 "[ . 1 . 2]" 1
1152 1 73 GLN HE22 1 78 PRO HA . . 4.040 2.571 2.243 4.261 0.221 18 0 "[ . 1 . 2]" 1
1153 1 73 GLN HE22 1 79 SER H . . 4.390 4.019 3.747 5.205 0.815 18 1 "[ . 1 . + 2]" 1
1154 1 73 GLN HE22 1 87 LYS HA . . 4.660 3.272 2.920 4.480 . 0 0 "[ . 1 . 2]" 1
1155 1 73 GLN HE22 1 88 PRO HA . . 4.330 3.083 2.252 3.307 . 0 0 "[ . 1 . 2]" 1
1156 1 73 GLN HE22 1 88 PRO HD2 . . 4.620 4.392 4.235 4.746 0.126 18 0 "[ . 1 . 2]" 1
1157 1 73 GLN HE22 1 88 PRO HD3 . . 4.120 2.984 2.806 3.718 . 0 0 "[ . 1 . 2]" 1
1158 1 73 GLN HE22 1 88 PRO HG3 . . 4.050 3.602 3.391 3.945 . 0 0 "[ . 1 . 2]" 1
1159 1 73 GLN HE22 1 89 GLY H . . 5.500 5.048 4.408 5.246 . 0 0 "[ . 1 . 2]" 1
1160 1 73 GLN HG2 1 74 LEU H . . 4.420 3.716 3.051 3.908 . 0 0 "[ . 1 . 2]" 1
1161 1 73 GLN HG2 1 75 GLY H . . 4.300 2.924 2.729 3.296 . 0 0 "[ . 1 . 2]" 1
1162 1 73 GLN HG2 1 88 PRO HA . . 4.040 2.133 1.987 4.292 0.252 18 0 "[ . 1 . 2]" 1
1163 1 73 GLN HG2 1 89 GLY H . . 4.020 2.711 2.495 4.755 0.735 18 1 "[ . 1 . + 2]" 1
1164 1 73 GLN HG3 1 74 LEU H . . 4.320 3.134 2.854 4.600 0.280 18 0 "[ . 1 . 2]" 1
1165 1 73 GLN HG3 1 75 GLY H . . 4.300 2.273 2.034 4.284 . 0 0 "[ . 1 . 2]" 1
1166 1 73 GLN HG3 1 75 GLY HA3 . . 4.850 3.755 3.485 5.510 0.660 18 1 "[ . 1 . + 2]" 1
1167 1 73 GLN HG3 1 79 SER H . . 4.660 4.539 2.841 4.672 0.012 6 0 "[ . 1 . 2]" 1
1168 1 73 GLN HG3 1 79 SER HB2 . . 4.620 4.569 3.536 4.698 0.078 20 0 "[ . 1 . 2]" 1
1169 1 73 GLN HG3 1 88 PRO HA . . 4.210 3.652 3.557 3.748 . 0 0 "[ . 1 . 2]" 1
1170 1 73 GLN HG3 1 89 GLY H . . 4.710 4.207 4.102 4.293 . 0 0 "[ . 1 . 2]" 1
1171 1 74 LEU H 1 74 LEU HB2 . . 4.040 2.927 2.831 3.173 . 0 0 "[ . 1 . 2]" 1
1172 1 74 LEU H 1 74 LEU QD . . 4.120 3.020 2.906 3.182 . 0 0 "[ . 1 . 2]" 1
1173 1 74 LEU H 1 74 LEU HG . . 3.840 2.258 1.923 2.549 . 0 0 "[ . 1 . 2]" 1
1174 1 74 LEU H 1 75 GLY H . . 3.390 2.047 1.819 2.219 . 0 0 "[ . 1 . 2]" 1
1175 1 74 LEU H 1 75 GLY HA2 . . 4.890 4.500 4.389 4.679 . 0 0 "[ . 1 . 2]" 1
1176 1 74 LEU HA 1 74 LEU QD . . 2.920 2.732 2.552 2.866 . 0 0 "[ . 1 . 2]" 1
1177 1 74 LEU HA 1 89 GLY H . . 4.890 4.026 3.573 4.800 . 0 0 "[ . 1 . 2]" 1
1178 1 74 LEU HB2 1 74 LEU QD . . 3.250 1.964 1.893 2.158 . 0 0 "[ . 1 . 2]" 1
1179 1 74 LEU HB2 1 75 GLY H . . 4.110 3.793 3.673 3.931 . 0 0 "[ . 1 . 2]" 1
1180 1 74 LEU HB3 1 74 LEU QD . . 3.160 2.103 2.062 2.175 . 0 0 "[ . 1 . 2]" 1
1181 1 74 LEU HB3 1 75 GLY H . . 4.620 4.593 4.555 4.626 0.006 15 0 "[ . 1 . 2]" 1
1182 1 74 LEU QD 1 75 GLY H . . 4.620 4.270 4.097 4.335 . 0 0 "[ . 1 . 2]" 1
1183 1 74 LEU QD 1 89 GLY H . . 5.350 4.874 4.507 5.245 . 0 0 "[ . 1 . 2]" 1
1184 1 74 LEU HG 1 75 GLY H . . 4.850 4.145 3.696 4.369 . 0 0 "[ . 1 . 2]" 1
1185 1 75 GLY H 1 76 VAL H . . 4.710 4.091 3.858 4.200 . 0 0 "[ . 1 . 2]" 1
1186 1 75 GLY H 1 76 VAL HA . . 4.960 5.049 4.986 5.098 0.138 18 0 "[ . 1 . 2]" 1
1187 1 75 GLY HA2 1 76 VAL H . . 3.480 3.061 2.954 3.245 . 0 0 "[ . 1 . 2]" 1
1188 1 75 GLY HA3 1 76 VAL H . . 3.300 2.277 2.206 2.338 . 0 0 "[ . 1 . 2]" 1
1189 1 75 GLY HA3 1 77 ASN H . . 4.830 3.994 3.850 4.085 . 0 0 "[ . 1 . 2]" 1
1190 1 76 VAL H 1 76 VAL HB . . 3.290 3.289 2.899 3.394 0.104 8 0 "[ . 1 . 2]" 1
1191 1 76 VAL H 1 76 VAL QG . . 3.240 1.896 1.866 1.963 . 0 0 "[ . 1 . 2]" 1
1192 1 76 VAL H 1 77 ASN H . . 3.560 2.025 1.890 2.112 . 0 0 "[ . 1 . 2]" 1
1193 1 76 VAL H 1 77 ASN HA . . 5.500 4.574 4.481 4.672 . 0 0 "[ . 1 . 2]" 1
1194 1 76 VAL H 1 77 ASN HB2 . . 5.350 3.977 3.691 4.383 . 0 0 "[ . 1 . 2]" 1
1195 1 76 VAL HA 1 76 VAL QG . . 3.120 2.416 2.183 2.471 . 0 0 "[ . 1 . 2]" 1
1196 1 76 VAL HB 1 77 ASN H . . 3.970 4.011 3.808 4.117 0.147 8 0 "[ . 1 . 2]" 1
1197 1 76 VAL QG 1 77 ASN H . . 3.850 1.880 1.824 1.896 . 0 0 "[ . 1 . 2]" 1
1198 1 76 VAL QG 1 77 ASN HA . . 4.460 3.005 2.904 3.066 . 0 0 "[ . 1 . 2]" 1
1199 1 76 VAL QG 1 77 ASN HB2 . . 4.850 3.621 3.275 4.054 . 0 0 "[ . 1 . 2]" 1
1200 1 76 VAL QG 1 77 ASN HD21 . . 4.460 2.937 2.142 3.930 . 0 0 "[ . 1 . 2]" 1
1201 1 76 VAL QG 1 77 ASN HD22 . . 4.460 3.144 2.659 3.439 . 0 0 "[ . 1 . 2]" 1
1202 1 76 VAL QG 1 88 PRO QB . . 4.460 3.852 3.371 4.115 . 0 0 "[ . 1 . 2]" 1
1203 1 76 VAL QG 1 88 PRO HG3 . . 4.460 4.090 3.389 4.403 . 0 0 "[ . 1 . 2]" 1
1204 1 77 ASN H 1 77 ASN HB2 . . 3.570 2.429 2.127 2.805 . 0 0 "[ . 1 . 2]" 1
1205 1 77 ASN H 1 77 ASN HB3 . . 3.970 3.510 3.431 3.536 . 0 0 "[ . 1 . 2]" 1
1206 1 77 ASN H 1 77 ASN HD21 . . 4.530 2.921 2.107 4.074 . 0 0 "[ . 1 . 2]" 1
1207 1 77 ASN H 1 77 ASN HD22 . . 4.830 3.773 3.534 3.966 . 0 0 "[ . 1 . 2]" 1
1208 1 77 ASN H 1 78 PRO QD . . 4.270 4.275 4.239 4.298 0.028 9 0 "[ . 1 . 2]" 1
1209 1 77 ASN H 1 103 VAL MG2 . . 4.490 4.098 3.760 4.438 . 0 0 "[ . 1 . 2]" 1
1210 1 77 ASN HA 1 78 PRO QD . . 3.090 1.915 1.906 1.932 . 0 0 "[ . 1 . 2]" 1
1211 1 77 ASN HA 1 78 PRO HG3 . . 4.620 4.255 4.248 4.267 . 0 0 "[ . 1 . 2]" 1
1212 1 77 ASN HA 1 103 VAL MG2 . . 4.460 4.147 3.816 4.397 . 0 0 "[ . 1 . 2]" 1
1213 1 77 ASN HB2 1 77 ASN HD22 . . 4.040 3.650 3.451 4.081 0.041 6 0 "[ . 1 . 2]" 1
1214 1 77 ASN HB2 1 78 PRO QD . . 3.850 3.831 3.644 3.932 0.082 5 0 "[ . 1 . 2]" 1
1215 1 77 ASN HB2 1 103 VAL MG2 . . 3.480 2.156 1.902 2.612 . 0 0 "[ . 1 . 2]" 1
1216 1 77 ASN HB3 1 78 PRO QD . . 3.480 2.615 2.563 2.715 . 0 0 "[ . 1 . 2]" 1
1217 1 77 ASN HB3 1 78 PRO HG2 . . 4.850 4.799 4.717 4.869 0.019 7 0 "[ . 1 . 2]" 1
1218 1 77 ASN HB3 1 103 VAL MG2 . . 3.090 2.041 1.847 2.384 . 0 0 "[ . 1 . 2]" 1
1219 1 77 ASN HD21 1 103 VAL MG2 . . 4.120 2.910 2.311 3.360 . 0 0 "[ . 1 . 2]" 1
1220 1 77 ASN HD22 1 103 VAL MG2 . . 4.890 3.571 3.258 3.867 . 0 0 "[ . 1 . 2]" 1
1221 1 78 PRO HA 1 79 SER H . . 3.100 2.156 2.150 2.174 . 0 0 "[ . 1 . 2]" 1
1222 1 78 PRO HA 1 79 SER HB2 . . 4.320 4.347 4.202 4.664 0.344 20 0 "[ . 1 . 2]" 1
1223 1 78 PRO HB2 1 79 SER H . . 4.120 3.706 3.551 3.882 . 0 0 "[ . 1 . 2]" 1
1224 1 78 PRO HB2 1 85 GLU HG2 . . 3.970 2.818 2.308 3.623 . 0 0 "[ . 1 . 2]" 1
1225 1 78 PRO HB2 1 85 GLU HG3 . . 3.910 2.972 2.137 3.688 . 0 0 "[ . 1 . 2]" 1
1226 1 78 PRO HB2 1 86 LEU H . . 4.620 3.732 3.382 4.009 . 0 0 "[ . 1 . 2]" 1
1227 1 78 PRO HB3 1 79 SER H . . 4.050 4.010 3.899 4.142 0.092 18 0 "[ . 1 . 2]" 1
1228 1 78 PRO QD 1 103 VAL MG2 . . 4.040 3.765 3.379 4.050 0.010 18 0 "[ . 1 . 2]" 1
1229 1 79 SER H 1 79 SER HB2 . . 3.510 2.295 2.136 2.990 . 0 0 "[ . 1 . 2]" 1
1230 1 79 SER H 1 79 SER HB3 . . 4.050 3.452 2.315 3.549 . 0 0 "[ . 1 . 2]" 1
1231 1 79 SER H 1 79 SER HG . . 4.620 4.084 3.243 4.605 . 0 0 "[ . 1 . 2]" 1
1232 1 79 SER H 1 86 LEU H . . 4.960 3.527 3.401 3.685 . 0 0 "[ . 1 . 2]" 1
1233 1 79 SER H 1 86 LEU HB2 . . 4.620 2.682 2.483 2.895 . 0 0 "[ . 1 . 2]" 1
1234 1 79 SER H 1 86 LEU HB3 . . 5.350 3.629 3.485 3.800 . 0 0 "[ . 1 . 2]" 1
1235 1 79 SER H 1 86 LEU MD1 . . 4.530 4.234 4.015 4.538 0.008 18 0 "[ . 1 . 2]" 1
1236 1 79 SER H 1 86 LEU HG . . 5.500 4.926 4.730 5.155 . 0 0 "[ . 1 . 2]" 1
1237 1 79 SER HA 1 80 THR H . . 3.440 2.455 2.379 2.463 . 0 0 "[ . 1 . 2]" 1
1238 1 79 SER HB2 1 80 THR H . . 4.200 3.941 3.780 4.077 . 0 0 "[ . 1 . 2]" 1
1239 1 79 SER HB2 1 86 LEU HB2 . . 4.620 2.947 2.691 4.440 . 0 0 "[ . 1 . 2]" 1
1240 1 79 SER HB2 1 86 LEU MD1 . . 3.910 3.266 2.898 4.657 0.747 20 1 "[ . 1 . +]" 1
1241 1 79 SER HB2 1 100 LEU MD1 . . 3.910 3.932 3.752 3.973 0.063 11 0 "[ . 1 . 2]" 1
1242 1 79 SER HB3 1 80 THR H . . 3.810 2.684 2.587 3.914 0.104 20 0 "[ . 1 . 2]" 1
1243 1 79 SER HB3 1 86 LEU HB2 . . 4.850 3.723 2.850 3.939 . 0 0 "[ . 1 . 2]" 1
1244 1 79 SER HB3 1 100 LEU MD1 . . 3.630 2.890 2.731 3.733 0.103 20 0 "[ . 1 . 2]" 1
1245 1 79 SER HG 1 80 THR H . . 4.660 4.008 3.166 4.493 . 0 0 "[ . 1 . 2]" 1
1246 1 79 SER HG 1 100 LEU MD1 . . 4.620 3.654 1.984 4.598 . 0 0 "[ . 1 . 2]" 1
1247 1 80 THR H 1 80 THR HB . . 3.670 2.562 2.503 2.629 . 0 0 "[ . 1 . 2]" 1
1248 1 80 THR H 1 80 THR MG . . 4.460 3.831 3.789 3.859 . 0 0 "[ . 1 . 2]" 1
1249 1 80 THR H 1 81 VAL H . . 5.130 4.270 4.145 4.386 . 0 0 "[ . 1 . 2]" 1
1250 1 80 THR H 1 100 LEU MD1 . . 3.940 3.756 3.556 3.947 0.007 10 0 "[ . 1 . 2]" 1
1251 1 80 THR H 1 101 TYR H . . 4.050 3.648 3.406 4.071 0.021 18 0 "[ . 1 . 2]" 1
1252 1 80 THR H 1 101 TYR HB2 . . 4.040 2.408 2.112 2.573 . 0 0 "[ . 1 . 2]" 1
1253 1 80 THR H 1 101 TYR HB3 . . 4.460 3.780 3.461 3.988 . 0 0 "[ . 1 . 2]" 1
1254 1 80 THR H 1 101 TYR QD . . 4.460 3.794 3.614 4.045 . 0 0 "[ . 1 . 2]" 1
1255 1 80 THR HA 1 80 THR MG . . 3.240 2.375 2.269 2.478 . 0 0 "[ . 1 . 2]" 1
1256 1 80 THR HA 1 81 VAL H . . 3.050 2.155 2.150 2.167 . 0 0 "[ . 1 . 2]" 1
1257 1 80 THR HA 1 81 VAL HB . . 4.460 4.345 4.252 4.427 . 0 0 "[ . 1 . 2]" 1
1258 1 80 THR HA 1 84 GLN H . . 5.490 4.328 4.183 4.486 . 0 0 "[ . 1 . 2]" 1
1259 1 80 THR HA 1 85 GLU H . . 5.130 4.727 4.657 4.824 . 0 0 "[ . 1 . 2]" 1
1260 1 80 THR HA 1 85 GLU HA . . 3.360 2.346 2.147 2.527 . 0 0 "[ . 1 . 2]" 1
1261 1 80 THR HA 1 86 LEU H . . 3.870 3.012 2.830 3.210 . 0 0 "[ . 1 . 2]" 1
1262 1 80 THR HA 1 86 LEU MD2 . . 4.620 4.654 4.628 4.677 0.057 3 0 "[ . 1 . 2]" 1
1263 1 80 THR HB 1 81 VAL H . . 5.040 4.438 4.345 4.513 . 0 0 "[ . 1 . 2]" 1
1264 1 80 THR HB 1 101 TYR H . . 4.040 3.409 3.240 3.524 . 0 0 "[ . 1 . 2]" 1
1265 1 80 THR HB 1 101 TYR HB2 . . 3.290 2.052 1.992 2.185 . 0 0 "[ . 1 . 2]" 1
1266 1 80 THR HB 1 101 TYR HB3 . . 3.750 3.407 3.238 3.529 . 0 0 "[ . 1 . 2]" 1
1267 1 80 THR HB 1 101 TYR QD . . 3.250 2.041 1.987 2.259 . 0 0 "[ . 1 . 2]" 1
1268 1 80 THR HB 1 101 TYR QE . . 4.460 4.049 3.821 4.214 . 0 0 "[ . 1 . 2]" 1
1269 1 80 THR HB 1 105 GLY H . . 5.350 4.869 4.585 5.018 . 0 0 "[ . 1 . 2]" 1
1270 1 80 THR HB 1 105 GLY HA2 . . 4.850 3.492 3.242 3.646 . 0 0 "[ . 1 . 2]" 1
1271 1 80 THR MG 1 81 VAL H . . 3.290 3.108 2.896 3.309 0.019 20 0 "[ . 1 . 2]" 1
1272 1 80 THR MG 1 82 GLY H . . 4.120 3.277 2.966 3.498 . 0 0 "[ . 1 . 2]" 1
1273 1 80 THR MG 1 84 GLN H . . 3.570 2.764 2.630 3.086 . 0 0 "[ . 1 . 2]" 1
1274 1 80 THR MG 1 85 GLU H . . 4.320 3.785 3.533 4.020 . 0 0 "[ . 1 . 2]" 1
1275 1 80 THR MG 1 86 LEU H . . 4.460 4.445 4.343 4.473 0.013 2 0 "[ . 1 . 2]" 1
1276 1 80 THR MG 1 101 TYR HB2 . . 4.460 3.739 3.623 3.825 . 0 0 "[ . 1 . 2]" 1
1277 1 80 THR MG 1 101 TYR HB3 . . 4.860 4.795 4.644 4.861 0.001 8 0 "[ . 1 . 2]" 1
1278 1 80 THR MG 1 101 TYR QD . . 3.340 2.469 2.244 2.715 . 0 0 "[ . 1 . 2]" 1
1279 1 80 THR MG 1 101 TYR QE . . 4.040 3.075 2.783 3.408 . 0 0 "[ . 1 . 2]" 1
1280 1 81 VAL H 1 81 VAL HB . . 3.320 2.269 2.187 2.363 . 0 0 "[ . 1 . 2]" 1
1281 1 81 VAL H 1 81 VAL MG1 . . 4.040 3.647 3.594 3.720 . 0 0 "[ . 1 . 2]" 1
1282 1 81 VAL H 1 81 VAL MG2 . . 3.290 2.780 2.577 3.045 . 0 0 "[ . 1 . 2]" 1
1283 1 81 VAL H 1 82 GLY H . . 4.890 3.920 3.762 4.081 . 0 0 "[ . 1 . 2]" 1
1284 1 81 VAL H 1 84 GLN H . . 4.300 3.477 3.245 3.730 . 0 0 "[ . 1 . 2]" 1
1285 1 81 VAL H 1 84 GLN HB3 . . 4.770 3.966 3.649 4.279 . 0 0 "[ . 1 . 2]" 1
1286 1 81 VAL H 1 85 GLU HA . . 4.000 3.759 3.361 3.999 . 0 0 "[ . 1 . 2]" 1
1287 1 81 VAL H 1 86 LEU H . . 4.770 4.196 3.600 4.420 . 0 0 "[ . 1 . 2]" 1
1288 1 81 VAL H 1 86 LEU MD2 . . 5.490 3.928 3.776 4.054 . 0 0 "[ . 1 . 2]" 1
1289 1 81 VAL H 1 86 LEU HG . . 4.620 2.863 2.555 3.424 . 0 0 "[ . 1 . 2]" 1
1290 1 81 VAL HA 1 81 VAL MG1 . . 3.120 2.506 2.423 2.576 . 0 0 "[ . 1 . 2]" 1
1291 1 81 VAL HA 1 81 VAL MG2 . . 3.320 2.263 2.087 2.348 . 0 0 "[ . 1 . 2]" 1
1292 1 81 VAL HA 1 82 GLY H . . 2.970 2.351 2.269 2.437 . 0 0 "[ . 1 . 2]" 1
1293 1 81 VAL HA 1 94 LEU QD . . 3.410 2.402 2.166 2.605 . 0 0 "[ . 1 . 2]" 1
1294 1 81 VAL HA 1 100 LEU HA . . 3.570 2.559 2.434 2.722 . 0 0 "[ . 1 . 2]" 1
1295 1 81 VAL HA 1 100 LEU HG . . 5.190 5.052 4.901 5.200 0.010 20 0 "[ . 1 . 2]" 1
1296 1 81 VAL HA 1 101 TYR H . . 4.460 3.910 3.662 4.137 . 0 0 "[ . 1 . 2]" 1
1297 1 81 VAL HB 1 82 GLY H . . 4.850 4.619 4.589 4.637 . 0 0 "[ . 1 . 2]" 1
1298 1 81 VAL HB 1 86 LEU MD2 . . 3.570 3.324 3.094 3.517 . 0 0 "[ . 1 . 2]" 1
1299 1 81 VAL HB 1 86 LEU HG . . 4.320 2.974 2.753 3.245 . 0 0 "[ . 1 . 2]" 1
1300 1 81 VAL HB 1 92 GLY HA3 . . 4.620 4.005 3.581 4.247 . 0 0 "[ . 1 . 2]" 1
1301 1 81 VAL HB 1 93 SER H . . 4.850 4.720 4.492 4.854 0.004 1 0 "[ . 1 . 2]" 1
1302 1 81 VAL MG1 1 82 GLY H . . 3.750 3.609 3.402 3.756 0.006 20 0 "[ . 1 . 2]" 1
1303 1 81 VAL MG1 1 84 GLN HB3 . . 4.320 4.174 3.635 4.328 0.008 20 0 "[ . 1 . 2]" 1
1304 1 81 VAL MG1 1 92 GLY HA3 . . 3.800 3.423 3.047 3.737 . 0 0 "[ . 1 . 2]" 1
1305 1 81 VAL MG1 1 93 SER H . . 3.800 3.006 2.734 3.310 . 0 0 "[ . 1 . 2]" 1
1306 1 81 VAL MG1 1 93 SER HA . . 4.460 3.972 3.775 4.191 . 0 0 "[ . 1 . 2]" 1
1307 1 81 VAL MG1 1 94 LEU HA . . 3.480 2.943 2.778 3.085 . 0 0 "[ . 1 . 2]" 1
1308 1 81 VAL MG1 1 100 LEU HA . . 4.460 4.192 3.968 4.411 . 0 0 "[ . 1 . 2]" 1
1309 1 81 VAL MG1 1 100 LEU HB2 . . 4.320 4.019 3.765 4.231 . 0 0 "[ . 1 . 2]" 1
1310 1 81 VAL MG2 1 86 LEU HG . . 3.340 2.528 2.059 2.918 . 0 0 "[ . 1 . 2]" 1
1311 1 81 VAL MG2 1 92 GLY H . . 4.320 3.897 3.636 4.152 . 0 0 "[ . 1 . 2]" 1
1312 1 81 VAL MG2 1 92 GLY HA3 . . 3.850 3.320 3.100 3.632 . 0 0 "[ . 1 . 2]" 1
1313 1 81 VAL MG2 1 94 LEU QD . . 2.600 2.015 1.775 2.363 . 0 0 "[ . 1 . 2]" 1
1314 1 82 GLY H 1 83 VAL H . . 4.660 4.156 4.100 4.211 . 0 0 "[ . 1 . 2]" 1
1315 1 82 GLY H 1 84 GLN H . . 5.490 4.223 4.122 4.322 . 0 0 "[ . 1 . 2]" 1
1316 1 82 GLY H 1 94 LEU QD . . 3.600 3.539 3.411 3.610 0.010 20 0 "[ . 1 . 2]" 1
1317 1 82 GLY H 1 98 ASP HB3 . . 5.130 4.655 4.412 4.987 . 0 0 "[ . 1 . 2]" 1
1318 1 82 GLY H 1 99 VAL H . . 4.830 3.782 3.337 4.218 . 0 0 "[ . 1 . 2]" 1
1319 1 82 GLY H 1 99 VAL HB . . 5.130 3.640 3.211 4.142 . 0 0 "[ . 1 . 2]" 1
1320 1 82 GLY H 1 100 LEU HA . . 4.330 3.029 2.826 3.263 . 0 0 "[ . 1 . 2]" 1
1321 1 82 GLY H 1 100 LEU HB2 . . 5.500 4.695 4.465 4.950 . 0 0 "[ . 1 . 2]" 1
1322 1 82 GLY H 1 100 LEU MD1 . . 4.450 4.046 3.900 4.256 . 0 0 "[ . 1 . 2]" 1
1323 1 82 GLY H 1 101 TYR QD . . 5.130 3.218 3.057 3.433 . 0 0 "[ . 1 . 2]" 1
1324 1 82 GLY H 1 101 TYR QE . . 5.130 3.835 3.692 3.985 . 0 0 "[ . 1 . 2]" 1
1325 1 82 GLY HA2 1 83 VAL H . . 3.480 3.529 3.506 3.546 0.066 6 0 "[ . 1 . 2]" 1
1326 1 82 GLY HA2 1 84 GLN H . . 4.710 4.686 4.595 4.733 0.023 13 0 "[ . 1 . 2]" 1
1327 1 82 GLY HA2 1 98 ASP HB3 . . 4.620 3.804 3.588 4.096 . 0 0 "[ . 1 . 2]" 1
1328 1 82 GLY HA2 1 99 VAL H . . 4.320 2.313 1.992 2.672 . 0 0 "[ . 1 . 2]" 1
1329 1 82 GLY HA3 1 83 VAL H . . 3.090 2.296 2.273 2.316 . 0 0 "[ . 1 . 2]" 1
1330 1 82 GLY HA3 1 83 VAL MG1 . . 4.120 3.885 3.831 3.986 . 0 0 "[ . 1 . 2]" 1
1331 1 82 GLY HA3 1 84 GLN H . . 3.780 3.712 3.655 3.780 . 0 0 "[ . 1 . 2]" 1
1332 1 83 VAL H 1 83 VAL MG1 . . 3.020 2.228 2.175 2.304 . 0 0 "[ . 1 . 2]" 1
1333 1 83 VAL H 1 84 GLN H . . 3.130 2.084 1.992 2.146 . 0 0 "[ . 1 . 2]" 1
1334 1 83 VAL H 1 84 GLN HB2 . . 4.620 4.097 4.016 4.209 . 0 0 "[ . 1 . 2]" 1
1335 1 83 VAL H 1 84 GLN HB3 . . 4.830 3.644 3.555 3.725 . 0 0 "[ . 1 . 2]" 1
1336 1 83 VAL HA 1 83 VAL MG1 . . 3.480 3.202 3.198 3.204 . 0 0 "[ . 1 . 2]" 1
1337 1 83 VAL HA 1 83 VAL MG2 . . 2.940 2.312 2.199 2.334 . 0 0 "[ . 1 . 2]" 1
1338 1 83 VAL HB 1 84 GLN H . . 5.130 4.507 4.449 4.541 . 0 0 "[ . 1 . 2]" 1
1339 1 83 VAL MG1 1 84 GLN H . . 3.540 3.272 3.184 3.345 . 0 0 "[ . 1 . 2]" 1
1340 1 83 VAL MG1 1 84 GLN HA . . 4.460 3.871 3.800 3.920 . 0 0 "[ . 1 . 2]" 1
1341 1 83 VAL MG1 1 84 GLN HB2 . . 4.120 3.392 3.323 3.519 . 0 0 "[ . 1 . 2]" 1
1342 1 83 VAL MG1 1 84 GLN HB3 . . 4.120 3.932 3.815 4.047 . 0 0 "[ . 1 . 2]" 1
1343 1 83 VAL MG2 1 84 GLN H . . 4.320 4.287 4.268 4.323 0.003 4 0 "[ . 1 . 2]" 1
1344 1 84 GLN H 1 84 GLN HB2 . . 3.480 3.281 3.239 3.340 . 0 0 "[ . 1 . 2]" 1
1345 1 84 GLN H 1 84 GLN HB3 . . 3.460 2.542 2.513 2.562 . 0 0 "[ . 1 . 2]" 1
1346 1 84 GLN H 1 84 GLN HG2 . . 4.320 4.275 4.211 4.389 0.069 4 0 "[ . 1 . 2]" 1
1347 1 84 GLN H 1 85 GLU H . . 4.660 4.429 4.355 4.468 . 0 0 "[ . 1 . 2]" 1
1348 1 84 GLN HA 1 84 GLN HG2 . . 3.850 3.536 2.683 3.768 . 0 0 "[ . 1 . 2]" 1
1349 1 84 GLN HA 1 84 GLN HG3 . . 3.750 2.638 2.541 3.520 . 0 0 "[ . 1 . 2]" 1
1350 1 84 GLN HA 1 85 GLU H . . 2.910 2.287 2.229 2.346 . 0 0 "[ . 1 . 2]" 1
1351 1 84 GLN HB2 1 84 GLN HG2 . . 3.010 3.000 2.790 3.032 0.022 20 0 "[ . 1 . 2]" 1
1352 1 84 GLN HB2 1 85 GLU H . . 4.320 4.010 3.940 4.139 . 0 0 "[ . 1 . 2]" 1
1353 1 84 GLN HB3 1 85 GLU H . . 4.460 4.216 4.064 4.369 . 0 0 "[ . 1 . 2]" 1
1354 1 84 GLN HB3 1 86 LEU MD2 . . 4.460 4.352 4.041 4.482 0.022 14 0 "[ . 1 . 2]" 1
1355 1 84 GLN HE21 1 85 GLU H . . 5.500 4.782 3.994 5.457 . 0 0 "[ . 1 . 2]" 1
1356 1 84 GLN HE21 1 86 LEU HA . . 5.490 4.600 3.834 5.245 . 0 0 "[ . 1 . 2]" 1
1357 1 84 GLN HE21 1 86 LEU MD2 . . 4.960 3.307 2.409 4.274 . 0 0 "[ . 1 . 2]" 1
1358 1 84 GLN HE22 1 86 LEU MD2 . . 5.230 4.358 1.901 5.179 . 0 0 "[ . 1 . 2]" 1
1359 1 84 GLN HG2 1 85 GLU H . . 4.320 3.301 2.245 3.917 . 0 0 "[ . 1 . 2]" 1
1360 1 84 GLN HG2 1 86 LEU MD2 . . 4.040 2.852 2.412 3.722 . 0 0 "[ . 1 . 2]" 1
1361 1 84 GLN HG3 1 85 GLU H . . 4.150 2.286 2.006 3.854 . 0 0 "[ . 1 . 2]" 1
1362 1 84 GLN HG3 1 86 LEU MD2 . . 4.120 4.069 3.717 4.133 0.013 14 0 "[ . 1 . 2]" 1
1363 1 85 GLU H 1 85 GLU HB2 . . 3.330 2.458 2.100 2.943 . 0 0 "[ . 1 . 2]" 1
1364 1 85 GLU H 1 85 GLU HB3 . . 3.410 2.749 2.259 3.115 . 0 0 "[ . 1 . 2]" 1
1365 1 85 GLU H 1 85 GLU HG2 . . 4.210 4.496 4.205 4.737 0.527 2 4 "[ + * * 1 - . 2]" 1
1366 1 85 GLU HA 1 85 GLU HG2 . . 3.630 3.223 3.035 3.354 . 0 0 "[ . 1 . 2]" 1
1367 1 85 GLU HA 1 85 GLU HG3 . . 3.800 2.293 1.974 2.736 . 0 0 "[ . 1 . 2]" 1
1368 1 85 GLU HA 1 86 LEU H . . 3.060 2.287 2.212 2.343 . 0 0 "[ . 1 . 2]" 1
1369 1 85 GLU HB2 1 86 LEU H . . 4.390 4.255 3.934 4.479 0.089 9 0 "[ . 1 . 2]" 1
1370 1 85 GLU HB3 1 85 GLU HG2 . . 2.950 2.386 2.264 2.565 . 0 0 "[ . 1 . 2]" 1
1371 1 85 GLU HB3 1 86 LEU H . . 4.620 3.808 3.409 4.403 . 0 0 "[ . 1 . 2]" 1
1372 1 85 GLU HG2 1 86 LEU H . . 4.150 3.228 2.467 3.904 . 0 0 "[ . 1 . 2]" 1
1373 1 85 GLU HG3 1 86 LEU H . . 3.970 2.844 2.474 3.238 . 0 0 "[ . 1 . 2]" 1
1374 1 86 LEU H 1 86 LEU HB2 . . 3.600 2.291 2.160 2.355 . 0 0 "[ . 1 . 2]" 1
1375 1 86 LEU H 1 86 LEU MD1 . . 4.330 4.221 4.152 4.282 . 0 0 "[ . 1 . 2]" 1
1376 1 86 LEU H 1 86 LEU MD2 . . 3.710 3.645 3.164 3.743 0.033 4 0 "[ . 1 . 2]" 1
1377 1 86 LEU H 1 86 LEU HG . . 3.540 3.218 3.101 3.297 . 0 0 "[ . 1 . 2]" 1
1378 1 86 LEU H 1 87 LYS H . . 5.040 4.420 4.396 4.461 . 0 0 "[ . 1 . 2]" 1
1379 1 86 LEU HA 1 86 LEU MD1 . . 3.670 3.703 3.491 3.727 0.057 4 0 "[ . 1 . 2]" 1
1380 1 86 LEU HA 1 86 LEU MD2 . . 2.780 1.872 1.747 1.899 . 0 0 "[ . 1 . 2]" 1
1381 1 86 LEU HA 1 86 LEU HG . . 3.850 3.108 3.060 3.309 . 0 0 "[ . 1 . 2]" 1
1382 1 86 LEU HA 1 87 LYS H . . 3.560 2.747 2.696 2.763 . 0 0 "[ . 1 . 2]" 1
1383 1 86 LEU HA 1 90 LEU MD2 . . 3.970 2.788 2.618 2.943 . 0 0 "[ . 1 . 2]" 1
1384 1 86 LEU HB2 1 86 LEU MD1 . . 3.290 2.557 2.531 2.750 . 0 0 "[ . 1 . 2]" 1
1385 1 86 LEU HB2 1 86 LEU MD2 . . 3.540 3.197 3.103 3.207 . 0 0 "[ . 1 . 2]" 1
1386 1 86 LEU HB2 1 87 LYS H . . 3.630 3.404 3.365 3.510 . 0 0 "[ . 1 . 2]" 1
1387 1 86 LEU HB3 1 86 LEU MD1 . . 3.570 2.153 1.963 2.195 . 0 0 "[ . 1 . 2]" 1
1388 1 86 LEU HB3 1 86 LEU MD2 . . 3.240 2.555 2.526 2.805 . 0 0 "[ . 1 . 2]" 1
1389 1 86 LEU HB3 1 87 LYS H . . 3.360 1.959 1.939 2.053 . 0 0 "[ . 1 . 2]" 1
1390 1 86 LEU HB3 1 90 LEU H . . 5.130 4.661 4.466 4.787 . 0 0 "[ . 1 . 2]" 1
1391 1 86 LEU HB3 1 90 LEU HB2 . . 4.320 4.163 4.024 4.330 0.010 15 0 "[ . 1 . 2]" 1
1392 1 86 LEU MD1 1 87 LYS H . . 4.120 3.610 3.195 3.711 . 0 0 "[ . 1 . 2]" 1
1393 1 86 LEU MD1 1 90 LEU H . . 5.490 4.899 4.265 5.021 . 0 0 "[ . 1 . 2]" 1
1394 1 86 LEU MD1 1 91 SER H . . 5.350 4.201 3.337 4.674 . 0 0 "[ . 1 . 2]" 1
1395 1 86 LEU MD1 1 91 SER HA . . 3.800 3.244 2.555 3.530 . 0 0 "[ . 1 . 2]" 1
1396 1 86 LEU MD1 1 92 GLY H . . 3.850 2.907 2.430 3.318 . 0 0 "[ . 1 . 2]" 1
1397 1 86 LEU MD2 1 87 LYS H . . 3.670 3.039 2.926 3.220 . 0 0 "[ . 1 . 2]" 1
1398 1 86 LEU MD2 1 87 LYS HB2 . . 4.510 4.482 4.400 4.536 0.026 18 0 "[ . 1 . 2]" 1
1399 1 86 LEU MD2 1 90 LEU H . . 5.490 5.142 5.005 5.252 . 0 0 "[ . 1 . 2]" 1
1400 1 86 LEU MD2 1 90 LEU HB3 . . 5.390 2.690 2.538 2.827 . 0 0 "[ . 1 . 2]" 1
1401 1 86 LEU MD2 1 90 LEU HG . . 2.910 2.955 2.942 2.980 0.070 3 0 "[ . 1 . 2]" 1
1402 1 86 LEU MD2 1 91 SER H . . 4.580 3.579 3.202 3.907 . 0 0 "[ . 1 . 2]" 1
1403 1 86 LEU MD2 1 91 SER HA . . 4.120 4.098 3.694 4.148 0.028 15 0 "[ . 1 . 2]" 1
1404 1 86 LEU MD2 1 92 GLY H . . 4.040 3.818 3.692 4.076 0.036 3 0 "[ . 1 . 2]" 1
1405 1 86 LEU MD2 1 92 GLY HA3 . . 3.380 2.739 2.631 2.872 . 0 0 "[ . 1 . 2]" 1
1406 1 86 LEU MD2 1 93 SER H . . 5.040 4.719 4.586 4.852 . 0 0 "[ . 1 . 2]" 1
1407 1 87 LYS H 1 87 LYS HB2 . . 3.900 2.734 2.652 2.796 . 0 0 "[ . 1 . 2]" 1
1408 1 87 LYS H 1 87 LYS QG . . 4.210 3.889 3.802 4.128 . 0 0 "[ . 1 . 2]" 1
1409 1 87 LYS H 1 88 PRO HD2 . . 5.490 4.862 4.835 4.881 . 0 0 "[ . 1 . 2]" 1
1410 1 87 LYS H 1 88 PRO HD3 . . 5.230 4.761 4.745 4.772 . 0 0 "[ . 1 . 2]" 1
1411 1 87 LYS H 1 90 LEU H . . 4.490 3.570 3.250 3.682 . 0 0 "[ . 1 . 2]" 1
1412 1 87 LYS H 1 90 LEU HB2 . . 3.570 2.563 2.461 2.637 . 0 0 "[ . 1 . 2]" 1
1413 1 87 LYS H 1 90 LEU MD1 . . 4.460 4.496 4.476 4.546 0.086 3 0 "[ . 1 . 2]" 1
1414 1 87 LYS H 1 90 LEU MD2 . . 3.710 2.460 2.338 2.848 . 0 0 "[ . 1 . 2]" 1
1415 1 87 LYS H 1 90 LEU HG . . 4.330 4.144 4.062 4.351 0.021 18 0 "[ . 1 . 2]" 1
1416 1 87 LYS H 1 91 SER H . . 5.500 5.028 4.787 5.332 . 0 0 "[ . 1 . 2]" 1
1417 1 87 LYS HA 1 87 LYS QG . . 3.750 2.102 1.945 2.148 . 0 0 "[ . 1 . 2]" 1
1418 1 87 LYS HA 1 88 PRO HD2 . . 3.430 2.999 2.964 3.045 . 0 0 "[ . 1 . 2]" 1
1419 1 87 LYS HA 1 88 PRO HD3 . . 3.190 2.186 2.158 2.225 . 0 0 "[ . 1 . 2]" 1
1420 1 87 LYS HA 1 88 PRO HG2 . . 4.860 4.868 4.838 4.908 0.048 3 0 "[ . 1 . 2]" 1
1421 1 87 LYS HA 1 88 PRO HG3 . . 4.460 4.421 4.397 4.454 . 0 0 "[ . 1 . 2]" 1
1422 1 87 LYS HB2 1 88 PRO HD2 . . 3.970 3.565 3.517 3.600 . 0 0 "[ . 1 . 2]" 1
1423 1 87 LYS HB2 1 88 PRO HD3 . . 4.320 4.176 4.120 4.217 . 0 0 "[ . 1 . 2]" 1
1424 1 87 LYS HB2 1 90 LEU H . . 4.960 4.464 4.154 4.640 . 0 0 "[ . 1 . 2]" 1
1425 1 87 LYS HB2 1 90 LEU HB2 . . 4.040 2.633 2.455 2.766 . 0 0 "[ . 1 . 2]" 1
1426 1 87 LYS HB2 1 90 LEU MD1 . . 3.910 3.795 3.694 3.919 0.009 3 0 "[ . 1 . 2]" 1
1427 1 87 LYS HB2 1 90 LEU MD2 . . 3.750 1.933 1.911 1.969 . 0 0 "[ . 1 . 2]" 1
1428 1 87 LYS HB3 1 88 PRO HD2 . . 3.210 1.955 1.928 1.973 . 0 0 "[ . 1 . 2]" 1
1429 1 87 LYS HB3 1 88 PRO HD3 . . 3.540 3.050 3.024 3.065 . 0 0 "[ . 1 . 2]" 1
1430 1 87 LYS HB3 1 90 LEU MD1 . . 4.460 4.174 4.047 4.317 . 0 0 "[ . 1 . 2]" 1
1431 1 87 LYS HB3 1 90 LEU MD2 . . 3.540 3.245 3.118 3.466 . 0 0 "[ . 1 . 2]" 1
1432 1 87 LYS HD2 1 90 LEU MD2 . . 4.210 3.713 2.775 4.246 0.036 11 0 "[ . 1 . 2]" 1
1433 1 87 LYS HD3 1 87 LYS QG . . 2.790 2.421 2.194 2.554 . 0 0 "[ . 1 . 2]" 1
1434 1 87 LYS HD3 1 90 LEU MD2 . . 3.910 3.330 2.541 4.234 0.324 15 0 "[ . 1 . 2]" 1
1435 1 87 LYS QE 1 87 LYS QG . . 3.220 2.095 1.997 2.387 . 0 0 "[ . 1 . 2]" 1
1436 1 87 LYS QE 1 90 LEU MD2 . . 3.910 3.846 3.096 3.928 0.018 1 0 "[ . 1 . 2]" 1
1437 1 87 LYS QG 1 88 PRO HD2 . . 3.630 2.176 2.035 2.473 . 0 0 "[ . 1 . 2]" 1
1438 1 87 LYS QG 1 88 PRO HD3 . . 3.850 2.321 2.112 2.578 . 0 0 "[ . 1 . 2]" 1
1439 1 87 LYS QG 1 90 LEU MD2 . . 3.630 3.697 3.651 3.740 0.110 3 0 "[ . 1 . 2]" 1
1440 1 88 PRO HA 1 89 GLY H . . 2.890 2.179 2.152 2.286 . 0 0 "[ . 1 . 2]" 1
1441 1 88 PRO HA 1 90 LEU H . . 4.250 3.454 3.375 3.676 . 0 0 "[ . 1 . 2]" 1
1442 1 88 PRO QB 1 89 GLY H . . 4.120 3.676 3.586 3.900 . 0 0 "[ . 1 . 2]" 1
1443 1 89 GLY H 1 90 LEU H . . 3.660 2.220 1.886 2.349 . 0 0 "[ . 1 . 2]" 1
1444 1 90 LEU H 1 90 LEU HB2 . . 3.300 2.280 2.249 2.331 . 0 0 "[ . 1 . 2]" 1
1445 1 90 LEU H 1 90 LEU HB3 . . 3.600 2.809 2.772 2.853 . 0 0 "[ . 1 . 2]" 1
1446 1 90 LEU H 1 90 LEU MD1 . . 4.120 3.730 3.668 3.789 . 0 0 "[ . 1 . 2]" 1
1447 1 90 LEU H 1 90 LEU MD2 . . 4.320 4.156 4.130 4.185 . 0 0 "[ . 1 . 2]" 1
1448 1 90 LEU HA 1 90 LEU MD2 . . 3.750 3.722 3.706 3.739 . 0 0 "[ . 1 . 2]" 1
1449 1 90 LEU HA 1 91 SER H . . 3.190 2.661 2.506 2.699 . 0 0 "[ . 1 . 2]" 1
1450 1 90 LEU HB2 1 90 LEU MD1 . . 3.190 2.517 2.484 2.542 . 0 0 "[ . 1 . 2]" 1
1451 1 90 LEU HB2 1 90 LEU MD2 . . 2.780 2.238 2.167 2.278 . 0 0 "[ . 1 . 2]" 1
1452 1 90 LEU HB3 1 90 LEU MD2 . . 3.340 2.433 2.399 2.496 . 0 0 "[ . 1 . 2]" 1
1453 1 90 LEU HB3 1 91 SER H . . 3.390 2.848 2.720 3.202 . 0 0 "[ . 1 . 2]" 1
1454 1 90 LEU MD1 1 91 SER H . . 3.910 2.586 2.385 2.834 . 0 0 "[ . 1 . 2]" 1
1455 1 90 LEU MD2 1 91 SER H . . 4.120 3.664 3.602 3.864 . 0 0 "[ . 1 . 2]" 1
1456 1 90 LEU HG 1 91 SER H . . 4.120 1.952 1.933 2.173 . 0 0 "[ . 1 . 2]" 1
1457 1 91 SER H 1 91 SER HB2 . . 3.450 3.475 3.359 3.510 0.060 18 0 "[ . 1 . 2]" 1
1458 1 91 SER H 1 92 GLY H . . 4.960 4.202 4.149 4.378 . 0 0 "[ . 1 . 2]" 1
1459 1 91 SER HA 1 92 GLY H . . 2.980 2.287 2.254 2.593 . 0 0 "[ . 1 . 2]" 1
1460 1 91 SER HB2 1 92 GLY H . . 3.600 3.546 3.349 3.666 0.066 3 0 "[ . 1 . 2]" 1
1461 1 91 SER HB3 1 92 GLY H . . 3.540 3.479 3.189 3.598 0.058 3 0 "[ . 1 . 2]" 1
1462 1 92 GLY H 1 93 SER H . . 4.620 4.336 4.320 4.377 . 0 0 "[ . 1 . 2]" 1
1463 1 92 GLY HA2 1 93 SER H . . 3.270 2.753 2.682 2.771 . 0 0 "[ . 1 . 2]" 1
1464 1 92 GLY HA3 1 93 SER H . . 2.940 2.495 2.480 2.559 . 0 0 "[ . 1 . 2]" 1
1465 1 93 SER H 1 93 SER QB . . 3.450 2.821 2.491 3.143 . 0 0 "[ . 1 . 2]" 1
1466 1 93 SER H 1 94 LEU H . . 4.620 4.429 4.269 4.463 . 0 0 "[ . 1 . 2]" 1
1467 1 93 SER HA 1 94 LEU H . . 2.900 2.375 2.243 2.409 . 0 0 "[ . 1 . 2]" 1
1468 1 93 SER HA 1 94 LEU HA . . 4.460 4.430 4.390 4.453 . 0 0 "[ . 1 . 2]" 1
1469 1 93 SER QB 1 94 LEU H . . 4.040 2.815 2.647 3.215 . 0 0 "[ . 1 . 2]" 1
1470 1 94 LEU H 1 94 LEU HB2 . . 3.700 2.477 2.253 2.572 . 0 0 "[ . 1 . 2]" 1
1471 1 94 LEU H 1 94 LEU HB3 . . 3.800 3.307 3.231 3.467 . 0 0 "[ . 1 . 2]" 1
1472 1 94 LEU H 1 94 LEU QD . . 4.150 3.580 2.997 3.730 . 0 0 "[ . 1 . 2]" 1
1473 1 94 LEU H 1 111 LEU QD . . 5.040 4.067 3.865 4.229 . 0 0 "[ . 1 . 2]" 1
1474 1 94 LEU HA 1 94 LEU QD . . 3.190 2.824 1.884 2.893 . 0 0 "[ . 1 . 2]" 1
1475 1 94 LEU HA 1 94 LEU HG . . 4.210 2.146 2.058 3.644 . 0 0 "[ . 1 . 2]" 1
1476 1 94 LEU HA 1 95 SER H . . 3.020 2.202 2.177 2.290 . 0 0 "[ . 1 . 2]" 1
1477 1 94 LEU HA 1 98 ASP HB2 . . 4.210 3.211 3.017 3.578 . 0 0 "[ . 1 . 2]" 1
1478 1 94 LEU HA 1 98 ASP HB3 . . 4.460 3.333 3.144 3.680 . 0 0 "[ . 1 . 2]" 1
1479 1 94 LEU HA 1 111 LEU QD . . 4.460 4.176 3.814 4.389 . 0 0 "[ . 1 . 2]" 1
1480 1 94 LEU HB2 1 94 LEU QD . . 3.190 2.110 2.055 2.437 . 0 0 "[ . 1 . 2]" 1
1481 1 94 LEU HB2 1 95 SER H . . 4.660 4.521 4.279 4.625 . 0 0 "[ . 1 . 2]" 1
1482 1 94 LEU HB2 1 111 LEU QD . . 3.750 3.501 3.282 3.676 . 0 0 "[ . 1 . 2]" 1
1483 1 94 LEU HB3 1 94 LEU QD . . 2.880 2.097 2.037 2.277 . 0 0 "[ . 1 . 2]" 1
1484 1 94 LEU HB3 1 95 SER H . . 4.220 3.634 3.090 3.870 . 0 0 "[ . 1 . 2]" 1
1485 1 94 LEU HB3 1 98 ASP HB2 . . 4.210 3.446 3.310 3.945 . 0 0 "[ . 1 . 2]" 1
1486 1 94 LEU HB3 1 98 ASP HB3 . . 4.210 4.110 3.861 4.215 0.005 8 0 "[ . 1 . 2]" 1
1487 1 94 LEU HB3 1 111 LEU HB2 . . 4.620 3.373 3.230 3.619 . 0 0 "[ . 1 . 2]" 1
1488 1 94 LEU HB3 1 111 LEU QD . . 3.430 2.355 1.956 2.589 . 0 0 "[ . 1 . 2]" 1
1489 1 94 LEU QD 1 95 SER H . . 3.800 3.497 2.555 3.711 . 0 0 "[ . 1 . 2]" 1
1490 1 94 LEU QD 1 98 ASP H . . 4.490 3.698 3.383 4.064 . 0 0 "[ . 1 . 2]" 1
1491 1 94 LEU QD 1 98 ASP HB2 . . 3.430 2.261 1.990 2.578 . 0 0 "[ . 1 . 2]" 1
1492 1 94 LEU QD 1 98 ASP HB3 . . 3.380 2.278 1.921 2.671 . 0 0 "[ . 1 . 2]" 1
1493 1 94 LEU QD 1 99 VAL H . . 4.210 3.307 3.061 3.592 . 0 0 "[ . 1 . 2]" 1
1494 1 94 LEU QD 1 100 LEU H . . 3.850 3.407 3.229 3.619 . 0 0 "[ . 1 . 2]" 1
1495 1 94 LEU QD 1 100 LEU HA . . 3.850 2.764 2.723 2.806 . 0 0 "[ . 1 . 2]" 1
1496 1 94 LEU QD 1 100 LEU HB2 . . 3.120 1.795 1.698 2.108 . 0 0 "[ . 1 . 2]" 1
1497 1 94 LEU QD 1 101 TYR H . . 4.490 4.501 4.467 4.520 0.030 15 0 "[ . 1 . 2]" 1
1498 1 94 LEU HG 1 98 ASP HB2 . . 4.850 3.121 2.768 4.841 . 0 0 "[ . 1 . 2]" 1
1499 1 94 LEU HG 1 98 ASP HB3 . . 5.190 2.461 2.159 4.790 . 0 0 "[ . 1 . 2]" 1
1500 1 95 SER H 1 95 SER HB2 . . 3.380 2.688 2.410 3.519 0.139 19 0 "[ . 1 . 2]" 1
1501 1 95 SER H 1 95 SER HB3 . . 3.990 3.616 3.183 3.727 . 0 0 "[ . 1 . 2]" 1
1502 1 95 SER H 1 96 LEU H . . 5.130 4.574 4.501 4.617 . 0 0 "[ . 1 . 2]" 1
1503 1 95 SER H 1 98 ASP H . . 4.770 3.666 3.514 3.899 . 0 0 "[ . 1 . 2]" 1
1504 1 95 SER H 1 98 ASP HB2 . . 3.710 2.170 1.941 2.425 . 0 0 "[ . 1 . 2]" 1
1505 1 95 SER H 1 98 ASP HB3 . . 4.040 3.141 2.861 3.457 . 0 0 "[ . 1 . 2]" 1
1506 1 95 SER H 1 111 LEU QD . . 4.960 3.754 3.373 4.072 . 0 0 "[ . 1 . 2]" 1
1507 1 95 SER HB2 1 96 LEU H . . 3.630 3.450 2.571 3.635 0.005 7 0 "[ . 1 . 2]" 1
1508 1 95 SER HB3 1 96 LEU H . . 3.250 2.652 2.280 3.558 0.308 19 0 "[ . 1 . 2]" 1
1509 1 95 SER HB3 1 96 LEU HB2 . . 4.850 4.262 3.976 5.317 0.467 19 0 "[ . 1 . 2]" 1
1510 1 96 LEU H 1 96 LEU HB2 . . 3.360 2.036 1.997 2.112 . 0 0 "[ . 1 . 2]" 1
1511 1 96 LEU H 1 96 LEU HB3 . . 3.750 3.340 3.279 3.424 . 0 0 "[ . 1 . 2]" 1
1512 1 96 LEU H 1 96 LEU MD1 . . 3.970 3.741 3.555 3.948 . 0 0 "[ . 1 . 2]" 1
1513 1 96 LEU H 1 96 LEU MD2 . . 4.040 4.028 3.922 4.058 0.018 5 0 "[ . 1 . 2]" 1
1514 1 96 LEU H 1 96 LEU HG . . 3.410 3.180 2.928 3.345 . 0 0 "[ . 1 . 2]" 1
1515 1 96 LEU H 1 97 GLY H . . 4.960 4.407 4.329 4.488 . 0 0 "[ . 1 . 2]" 1
1516 1 96 LEU H 1 111 LEU QD . . 4.320 3.322 2.949 3.685 . 0 0 "[ . 1 . 2]" 1
1517 1 96 LEU HA 1 96 LEU MD1 . . 3.750 3.776 3.764 3.805 0.055 20 0 "[ . 1 . 2]" 1
1518 1 96 LEU HA 1 96 LEU MD2 . . 3.090 2.022 1.966 2.188 . 0 0 "[ . 1 . 2]" 1
1519 1 96 LEU HA 1 96 LEU HG . . 4.040 2.554 2.493 2.637 . 0 0 "[ . 1 . 2]" 1
1520 1 96 LEU HA 1 97 GLY H . . 2.980 2.191 2.176 2.216 . 0 0 "[ . 1 . 2]" 1
1521 1 96 LEU HA 1 97 GLY HA2 . . 4.320 4.345 4.328 4.366 0.046 13 0 "[ . 1 . 2]" 1
1522 1 96 LEU HA 1 98 ASP H . . 3.970 3.778 3.505 3.925 . 0 0 "[ . 1 . 2]" 1
1523 1 96 LEU HA 1 111 LEU H . . 4.770 4.776 4.691 4.816 0.046 20 0 "[ . 1 . 2]" 1
1524 1 96 LEU HA 1 111 LEU HB2 . . 4.620 4.495 4.293 4.629 0.009 11 0 "[ . 1 . 2]" 1
1525 1 96 LEU HA 1 111 LEU HB3 . . 3.600 3.088 2.835 3.262 . 0 0 "[ . 1 . 2]" 1
1526 1 96 LEU HA 1 111 LEU QD . . 3.510 2.620 2.342 2.989 . 0 0 "[ . 1 . 2]" 1
1527 1 96 LEU HA 1 111 LEU HG . . 3.220 2.262 1.995 2.842 . 0 0 "[ . 1 . 2]" 1
1528 1 96 LEU HB2 1 97 GLY H . . 4.890 4.662 4.607 4.690 . 0 0 "[ . 1 . 2]" 1
1529 1 96 LEU HB3 1 96 LEU MD1 . . 3.090 2.471 2.316 2.548 . 0 0 "[ . 1 . 2]" 1
1530 1 96 LEU HB3 1 97 GLY H . . 4.040 3.940 3.767 4.034 . 0 0 "[ . 1 . 2]" 1
1531 1 96 LEU MD1 1 113 TRP H . . 4.120 3.771 3.599 4.010 . 0 0 "[ . 1 . 2]" 1
1532 1 96 LEU MD1 1 113 TRP HB3 . . 3.480 1.987 1.874 2.323 . 0 0 "[ . 1 . 2]" 1
1533 1 96 LEU MD1 1 113 TRP HD1 . . 4.320 3.958 3.670 4.330 0.010 20 0 "[ . 1 . 2]" 1
1534 1 96 LEU MD1 1 113 TRP HE3 . . 5.190 3.240 2.450 3.950 . 0 0 "[ . 1 . 2]" 1
1535 1 96 LEU MD2 1 97 GLY H . . 3.850 2.986 2.668 3.433 . 0 0 "[ . 1 . 2]" 1
1536 1 96 LEU MD2 1 111 LEU HG . . 2.880 2.303 2.010 2.590 . 0 0 "[ . 1 . 2]" 1
1537 1 96 LEU MD2 1 112 ARG HA . . 3.540 2.111 1.932 2.308 . 0 0 "[ . 1 . 2]" 1
1538 1 96 LEU MD2 1 113 TRP H . . 3.630 2.373 2.095 2.587 . 0 0 "[ . 1 . 2]" 1
1539 1 96 LEU MD2 1 113 TRP HA . . 4.460 3.180 2.834 3.577 . 0 0 "[ . 1 . 2]" 1
1540 1 96 LEU MD2 1 113 TRP HB2 . . 3.190 2.241 1.942 2.752 . 0 0 "[ . 1 . 2]" 1
1541 1 96 LEU MD2 1 113 TRP HB3 . . 3.750 2.150 1.913 2.794 . 0 0 "[ . 1 . 2]" 1
1542 1 96 LEU HG 1 97 GLY H . . 5.130 4.662 4.540 4.784 . 0 0 "[ . 1 . 2]" 1
1543 1 96 LEU HG 1 111 LEU QD . . 4.850 3.091 2.837 3.579 . 0 0 "[ . 1 . 2]" 1
1544 1 96 LEU HG 1 111 LEU HG . . 4.320 3.158 2.901 3.553 . 0 0 "[ . 1 . 2]" 1
1545 1 97 GLY H 1 98 ASP H . . 3.750 2.654 2.425 2.916 . 0 0 "[ . 1 . 2]" 1
1546 1 97 GLY H 1 98 ASP HB2 . . 5.350 4.198 4.042 4.393 . 0 0 "[ . 1 . 2]" 1
1547 1 97 GLY H 1 110 THR MG . . 3.970 3.663 3.463 3.836 . 0 0 "[ . 1 . 2]" 1
1548 1 97 GLY H 1 111 LEU H . . 4.250 3.136 3.038 3.315 . 0 0 "[ . 1 . 2]" 1
1549 1 97 GLY H 1 111 LEU HB2 . . 4.710 4.120 3.952 4.404 . 0 0 "[ . 1 . 2]" 1
1550 1 97 GLY H 1 111 LEU HB3 . . 4.120 2.437 2.264 2.753 . 0 0 "[ . 1 . 2]" 1
1551 1 97 GLY H 1 111 LEU QD . . 4.210 3.435 3.252 3.726 . 0 0 "[ . 1 . 2]" 1
1552 1 97 GLY HA2 1 110 THR MG . . 3.570 2.615 2.532 2.691 . 0 0 "[ . 1 . 2]" 1
1553 1 97 GLY HA3 1 110 THR MG . . 3.970 3.958 3.895 4.004 0.034 13 0 "[ . 1 . 2]" 1
1554 1 98 ASP H 1 98 ASP HB2 . . 3.540 2.241 2.069 2.333 . 0 0 "[ . 1 . 2]" 1
1555 1 98 ASP H 1 98 ASP HB3 . . 3.850 3.493 3.375 3.534 . 0 0 "[ . 1 . 2]" 1
1556 1 98 ASP H 1 99 VAL H . . 4.660 4.665 4.641 4.673 0.013 13 0 "[ . 1 . 2]" 1
1557 1 98 ASP H 1 111 LEU HB2 . . 5.130 5.087 4.961 5.146 0.016 5 0 "[ . 1 . 2]" 1
1558 1 98 ASP H 1 111 LEU QD . . 4.320 3.954 3.753 4.187 . 0 0 "[ . 1 . 2]" 1
1559 1 98 ASP HA 1 99 VAL H . . 3.110 2.434 2.386 2.618 . 0 0 "[ . 1 . 2]" 1
1560 1 98 ASP HB2 1 99 VAL H . . 4.120 4.044 3.868 4.120 . 0 0 "[ . 1 . 2]" 1
1561 1 98 ASP HB3 1 99 VAL H . . 3.700 2.754 2.438 2.876 . 0 0 "[ . 1 . 2]" 1
1562 1 98 ASP HB3 1 99 VAL HA . . 4.460 4.376 4.064 4.467 0.007 10 0 "[ . 1 . 2]" 1
1563 1 99 VAL H 1 99 VAL HB . . 3.290 2.412 2.313 2.490 . 0 0 "[ . 1 . 2]" 1
1564 1 99 VAL H 1 99 VAL MG1 . . 4.120 3.736 3.672 3.785 . 0 0 "[ . 1 . 2]" 1
1565 1 99 VAL H 1 99 VAL MG2 . . 3.190 2.634 2.346 3.070 . 0 0 "[ . 1 . 2]" 1
1566 1 99 VAL H 1 100 LEU H . . 5.040 4.549 4.478 4.574 . 0 0 "[ . 1 . 2]" 1
1567 1 99 VAL H 1 101 TYR QE . . 5.230 5.239 5.085 5.282 0.052 13 0 "[ . 1 . 2]" 1
1568 1 99 VAL HA 1 99 VAL MG1 . . 3.270 2.420 2.329 2.551 . 0 0 "[ . 1 . 2]" 1
1569 1 99 VAL HA 1 99 VAL MG2 . . 3.220 2.314 2.158 2.457 . 0 0 "[ . 1 . 2]" 1
1570 1 99 VAL HA 1 100 LEU H . . 3.060 2.440 2.332 2.501 . 0 0 "[ . 1 . 2]" 1
1571 1 99 VAL HA 1 100 LEU HB2 . . 4.620 4.415 4.271 4.521 . 0 0 "[ . 1 . 2]" 1
1572 1 99 VAL HA 1 100 LEU HB3 . . 4.460 4.288 4.192 4.403 . 0 0 "[ . 1 . 2]" 1
1573 1 99 VAL HA 1 110 THR H . . 5.130 4.597 4.089 5.098 . 0 0 "[ . 1 . 2]" 1
1574 1 99 VAL HA 1 111 LEU H . . 3.740 3.747 3.689 3.828 0.088 13 0 "[ . 1 . 2]" 1
1575 1 99 VAL HB 1 101 TYR QE . . 3.710 3.445 3.351 3.610 . 0 0 "[ . 1 . 2]" 1
1576 1 99 VAL MG1 1 100 LEU H . . 3.290 1.910 1.816 2.037 . 0 0 "[ . 1 . 2]" 1
1577 1 99 VAL MG1 1 100 LEU HB3 . . 4.620 4.198 4.139 4.281 . 0 0 "[ . 1 . 2]" 1
1578 1 99 VAL MG1 1 101 TYR H . . 4.620 2.865 2.663 2.989 . 0 0 "[ . 1 . 2]" 1
1579 1 99 VAL MG1 1 101 TYR HA . . 4.460 3.511 3.457 3.572 . 0 0 "[ . 1 . 2]" 1
1580 1 99 VAL MG1 1 101 TYR QD . . 3.970 3.258 2.844 3.470 . 0 0 "[ . 1 . 2]" 1
1581 1 99 VAL MG1 1 101 TYR QE . . 3.430 3.132 2.728 3.335 . 0 0 "[ . 1 . 2]" 1
1582 1 99 VAL MG1 1 108 PRO HA . . 3.670 2.747 2.520 3.102 . 0 0 "[ . 1 . 2]" 1
1583 1 99 VAL MG1 1 108 PRO HB2 . . 3.320 1.892 1.770 2.120 . 0 0 "[ . 1 . 2]" 1
1584 1 99 VAL MG1 1 109 LEU H . . 3.920 2.504 1.890 2.943 . 0 0 "[ . 1 . 2]" 1
1585 1 99 VAL MG1 1 110 THR H . . 5.500 4.340 3.699 5.391 . 0 0 "[ . 1 . 2]" 1
1586 1 99 VAL MG1 1 111 LEU H . . 5.490 5.399 5.258 5.609 0.119 20 0 "[ . 1 . 2]" 1
1587 1 99 VAL MG2 1 100 LEU H . . 3.910 3.800 3.649 3.913 0.003 18 0 "[ . 1 . 2]" 1
1588 1 99 VAL MG2 1 101 TYR QE . . 4.210 4.234 4.203 4.264 0.054 4 0 "[ . 1 . 2]" 1
1589 1 99 VAL MG2 1 111 LEU H . . 4.460 4.456 4.232 4.510 0.050 16 0 "[ . 1 . 2]" 1
1590 1 100 LEU H 1 100 LEU HB2 . . 3.850 3.383 3.291 3.478 . 0 0 "[ . 1 . 2]" 1
1591 1 100 LEU H 1 100 LEU HB3 . . 3.510 2.731 2.572 2.819 . 0 0 "[ . 1 . 2]" 1
1592 1 100 LEU H 1 100 LEU HG . . 4.620 4.339 4.242 4.480 . 0 0 "[ . 1 . 2]" 1
1593 1 100 LEU H 1 101 TYR H . . 5.040 3.541 3.457 3.709 . 0 0 "[ . 1 . 2]" 1
1594 1 100 LEU H 1 102 LEU H . . 5.130 5.182 5.157 5.225 0.095 13 0 "[ . 1 . 2]" 1
1595 1 100 LEU H 1 108 PRO HA . . 5.040 3.312 3.132 3.670 . 0 0 "[ . 1 . 2]" 1
1596 1 100 LEU H 1 109 LEU HB2 . . 4.250 3.573 2.944 3.831 . 0 0 "[ . 1 . 2]" 1
1597 1 100 LEU H 1 109 LEU HB3 . . 5.490 4.718 4.383 4.898 . 0 0 "[ . 1 . 2]" 1
1598 1 100 LEU HA 1 100 LEU MD1 . . 3.270 1.998 1.946 2.131 . 0 0 "[ . 1 . 2]" 1
1599 1 100 LEU HA 1 101 TYR H . . 3.210 2.316 2.283 2.325 . 0 0 "[ . 1 . 2]" 1
1600 1 100 LEU HA 1 101 TYR QD . . 4.320 3.944 3.832 4.089 . 0 0 "[ . 1 . 2]" 1
1601 1 100 LEU HA 1 102 LEU H . . 5.500 5.350 5.263 5.390 . 0 0 "[ . 1 . 2]" 1
1602 1 100 LEU HB2 1 101 TYR H . . 4.570 4.578 4.547 4.608 0.038 11 0 "[ . 1 . 2]" 1
1603 1 100 LEU HB2 1 109 LEU HB2 . . 4.320 4.350 4.322 4.427 0.107 20 0 "[ . 1 . 2]" 1
1604 1 100 LEU HB3 1 100 LEU MD2 . . 3.150 2.344 2.201 2.492 . 0 0 "[ . 1 . 2]" 1
1605 1 100 LEU HB3 1 101 TYR H . . 5.130 4.624 4.585 4.649 . 0 0 "[ . 1 . 2]" 1
1606 1 100 LEU HB3 1 109 LEU HB2 . . 3.910 2.627 2.572 2.800 . 0 0 "[ . 1 . 2]" 1
1607 1 100 LEU HB3 1 109 LEU HB3 . . 4.460 3.864 3.699 4.276 . 0 0 "[ . 1 . 2]" 1
1608 1 100 LEU MD1 1 101 TYR H . . 3.430 3.291 2.947 3.428 . 0 0 "[ . 1 . 2]" 1
1609 1 100 LEU HG 1 101 TYR H . . 4.620 4.321 4.166 4.480 . 0 0 "[ . 1 . 2]" 1
1610 1 100 LEU HG 1 102 LEU H . . 5.130 4.119 3.985 4.309 . 0 0 "[ . 1 . 2]" 1
1611 1 100 LEU HG 1 102 LEU HA . . 4.210 3.582 3.530 3.682 . 0 0 "[ . 1 . 2]" 1
1612 1 100 LEU HG 1 102 LEU HG . . 4.620 4.346 4.077 4.592 . 0 0 "[ . 1 . 2]" 1
1613 1 101 TYR H 1 101 TYR HB2 . . 3.940 2.300 2.230 2.343 . 0 0 "[ . 1 . 2]" 1
1614 1 101 TYR H 1 101 TYR HB3 . . 4.040 3.437 3.429 3.441 . 0 0 "[ . 1 . 2]" 1
1615 1 101 TYR H 1 101 TYR QD . . 3.410 2.246 2.158 2.380 . 0 0 "[ . 1 . 2]" 1
1616 1 101 TYR H 1 101 TYR QE . . 4.320 4.177 4.105 4.277 . 0 0 "[ . 1 . 2]" 1
1617 1 101 TYR H 1 102 LEU H . . 5.130 4.331 4.288 4.349 . 0 0 "[ . 1 . 2]" 1
1618 1 101 TYR H 1 102 LEU HA . . 5.490 5.460 5.434 5.483 . 0 0 "[ . 1 . 2]" 1
1619 1 101 TYR H 1 108 PRO HA . . 5.350 3.966 3.867 4.143 . 0 0 "[ . 1 . 2]" 1
1620 1 101 TYR HA 1 101 TYR QD . . 3.710 2.840 2.730 2.937 . 0 0 "[ . 1 . 2]" 1
1621 1 101 TYR HA 1 102 LEU H . . 3.200 2.241 2.233 2.261 . 0 0 "[ . 1 . 2]" 1
1622 1 101 TYR HA 1 106 LEU H . . 5.130 4.562 4.392 4.696 . 0 0 "[ . 1 . 2]" 1
1623 1 101 TYR HA 1 109 LEU H . . 4.360 3.833 3.555 4.284 . 0 0 "[ . 1 . 2]" 1
1624 1 101 TYR HB2 1 103 VAL H . . 4.890 4.905 4.888 4.933 0.043 20 0 "[ . 1 . 2]" 1
1625 1 101 TYR HB2 1 105 GLY HA3 . . 4.620 4.711 4.565 4.902 0.282 12 0 "[ . 1 . 2]" 1
1626 1 101 TYR HB2 1 106 LEU H . . 4.900 4.844 4.642 4.924 0.024 20 0 "[ . 1 . 2]" 1
1627 1 101 TYR HB3 1 102 LEU H . . 4.390 4.004 3.979 4.058 . 0 0 "[ . 1 . 2]" 1
1628 1 101 TYR HB3 1 103 VAL H . . 4.620 3.776 3.707 3.847 . 0 0 "[ . 1 . 2]" 1
1629 1 101 TYR HB3 1 105 GLY H . . 4.660 3.333 3.211 3.427 . 0 0 "[ . 1 . 2]" 1
1630 1 101 TYR HB3 1 105 GLY HA2 . . 4.210 2.081 2.003 2.173 . 0 0 "[ . 1 . 2]" 1
1631 1 101 TYR HB3 1 106 LEU H . . 4.040 3.148 2.954 3.229 . 0 0 "[ . 1 . 2]" 1
1632 1 101 TYR QD 1 102 LEU H . . 4.890 4.629 4.579 4.684 . 0 0 "[ . 1 . 2]" 1
1633 1 101 TYR QD 1 105 GLY H . . 5.230 4.784 4.624 4.990 . 0 0 "[ . 1 . 2]" 1
1634 1 101 TYR QD 1 105 GLY HA2 . . 4.460 3.135 2.876 3.423 . 0 0 "[ . 1 . 2]" 1
1635 1 101 TYR QD 1 105 GLY HA3 . . 4.320 4.015 3.791 4.273 . 0 0 "[ . 1 . 2]" 1
1636 1 101 TYR QD 1 106 LEU H . . 4.120 3.576 3.361 3.789 . 0 0 "[ . 1 . 2]" 1
1637 1 101 TYR QD 1 106 LEU HA . . 3.800 2.780 2.661 2.900 . 0 0 "[ . 1 . 2]" 1
1638 1 101 TYR QD 1 107 TYR H . . 4.850 4.653 4.491 4.847 . 0 0 "[ . 1 . 2]" 1
1639 1 101 TYR QD 1 108 PRO HA . . 4.210 3.734 3.595 3.854 . 0 0 "[ . 1 . 2]" 1
1640 1 101 TYR QD 1 108 PRO HB2 . . 4.570 4.592 4.532 4.615 0.045 2 0 "[ . 1 . 2]" 1
1641 1 101 TYR QD 1 108 PRO HB3 . . 3.850 3.007 2.957 3.032 . 0 0 "[ . 1 . 2]" 1
1642 1 101 TYR QD 1 108 PRO HD3 . . 4.620 3.519 3.438 3.629 . 0 0 "[ . 1 . 2]" 1
1643 1 101 TYR QD 1 108 PRO HG3 . . 4.460 3.480 3.365 3.555 . 0 0 "[ . 1 . 2]" 1
1644 1 101 TYR QD 1 109 LEU H . . 5.490 5.363 5.254 5.458 . 0 0 "[ . 1 . 2]" 1
1645 1 101 TYR QE 1 106 LEU HA . . 3.910 3.923 3.905 3.939 0.029 13 0 "[ . 1 . 2]" 1
1646 1 101 TYR QE 1 108 PRO HB3 . . 3.120 3.034 2.791 3.159 0.039 13 0 "[ . 1 . 2]" 1
1647 1 101 TYR QE 1 108 PRO HD3 . . 4.210 4.176 4.056 4.245 0.035 16 0 "[ . 1 . 2]" 1
1648 1 101 TYR QE 1 108 PRO HG3 . . 3.910 2.766 2.668 2.833 . 0 0 "[ . 1 . 2]" 1
1649 1 102 LEU H 1 102 LEU HB2 . . 3.510 2.031 2.009 2.094 . 0 0 "[ . 1 . 2]" 1
1650 1 102 LEU H 1 102 LEU HB3 . . 3.910 3.290 3.220 3.393 . 0 0 "[ . 1 . 2]" 1
1651 1 102 LEU H 1 102 LEU MD1 . . 3.910 3.162 2.844 3.380 . 0 0 "[ . 1 . 2]" 1
1652 1 102 LEU H 1 102 LEU HG . . 3.750 3.659 3.463 3.769 0.019 9 0 "[ . 1 . 2]" 1
1653 1 102 LEU H 1 103 VAL H . . 3.420 3.163 3.132 3.223 . 0 0 "[ . 1 . 2]" 1
1654 1 102 LEU H 1 107 TYR HA . . 5.230 5.004 4.942 5.150 . 0 0 "[ . 1 . 2]" 1
1655 1 102 LEU H 1 107 TYR HB2 . . 4.040 2.993 2.809 3.277 . 0 0 "[ . 1 . 2]" 1
1656 1 102 LEU H 1 107 TYR HB3 . . 4.460 4.312 4.064 4.474 0.014 13 0 "[ . 1 . 2]" 1
1657 1 102 LEU H 1 107 TYR QD . . 4.890 4.393 4.116 4.766 . 0 0 "[ . 1 . 2]" 1
1658 1 102 LEU H 1 108 PRO HA . . 4.420 3.212 2.937 3.533 . 0 0 "[ . 1 . 2]" 1
1659 1 102 LEU H 1 109 LEU H . . 5.230 4.247 3.807 5.091 . 0 0 "[ . 1 . 2]" 1
1660 1 102 LEU H 1 109 LEU QD . . 4.120 2.833 2.695 3.101 . 0 0 "[ . 1 . 2]" 1
1661 1 102 LEU HA 1 102 LEU MD1 . . 3.270 3.346 3.316 3.383 0.113 1 0 "[ . 1 . 2]" 1
1662 1 102 LEU HA 1 102 LEU MD2 . . 3.120 3.151 3.125 3.200 0.080 11 0 "[ . 1 . 2]" 1
1663 1 102 LEU HA 1 102 LEU HG . . 3.970 2.068 2.060 2.077 . 0 0 "[ . 1 . 2]" 1
1664 1 102 LEU HA 1 109 LEU QD . . 3.970 3.886 3.748 3.955 . 0 0 "[ . 1 . 2]" 1
1665 1 102 LEU HB2 1 102 LEU MD1 . . 3.220 2.032 1.928 2.151 . 0 0 "[ . 1 . 2]" 1
1666 1 102 LEU HB2 1 102 LEU MD2 . . 3.300 3.021 2.986 3.054 . 0 0 "[ . 1 . 2]" 1
1667 1 102 LEU HB2 1 103 VAL H . . 3.780 3.053 2.881 3.159 . 0 0 "[ . 1 . 2]" 1
1668 1 102 LEU HB2 1 107 TYR HB2 . . 3.570 1.940 1.924 1.960 . 0 0 "[ . 1 . 2]" 1
1669 1 102 LEU HB2 1 107 TYR HB3 . . 3.910 3.027 2.910 3.097 . 0 0 "[ . 1 . 2]" 1
1670 1 102 LEU HB2 1 107 TYR QD . . 3.750 3.278 3.111 3.484 . 0 0 "[ . 1 . 2]" 1
1671 1 102 LEU HB3 1 102 LEU MD1 . . 3.250 2.892 2.842 2.953 . 0 0 "[ . 1 . 2]" 1
1672 1 102 LEU HB3 1 102 LEU MD2 . . 3.110 2.144 2.093 2.172 . 0 0 "[ . 1 . 2]" 1
1673 1 102 LEU HB3 1 103 VAL H . . 4.150 2.580 2.497 2.704 . 0 0 "[ . 1 . 2]" 1
1674 1 102 LEU HB3 1 107 TYR HB2 . . 3.850 2.796 2.616 3.165 . 0 0 "[ . 1 . 2]" 1
1675 1 102 LEU HB3 1 107 TYR HB3 . . 4.210 3.937 3.798 4.182 . 0 0 "[ . 1 . 2]" 1
1676 1 102 LEU HB3 1 107 TYR QD . . 4.120 2.742 2.524 3.097 . 0 0 "[ . 1 . 2]" 1
1677 1 102 LEU MD1 1 107 TYR HB2 . . 3.850 3.004 2.858 3.147 . 0 0 "[ . 1 . 2]" 1
1678 1 102 LEU MD1 1 107 TYR HB3 . . 3.750 2.876 2.717 2.982 . 0 0 "[ . 1 . 2]" 1
1679 1 102 LEU MD1 1 107 TYR QD . . 4.460 4.142 4.012 4.283 . 0 0 "[ . 1 . 2]" 1
1680 1 102 LEU HG 1 107 TYR HB2 . . 4.620 4.709 4.675 4.738 0.118 6 0 "[ . 1 . 2]" 1
1681 1 103 VAL H 1 103 VAL MG1 . . 3.550 2.594 2.397 2.677 . 0 0 "[ . 1 . 2]" 1
1682 1 103 VAL H 1 103 VAL MG2 . . 4.460 4.008 3.936 4.032 . 0 0 "[ . 1 . 2]" 1
1683 1 103 VAL H 1 104 ASN H . . 4.710 4.353 4.346 4.362 . 0 0 "[ . 1 . 2]" 1
1684 1 103 VAL H 1 105 GLY H . . 5.230 4.295 4.074 4.505 . 0 0 "[ . 1 . 2]" 1
1685 1 103 VAL H 1 106 LEU H . . 4.150 3.157 3.079 3.270 . 0 0 "[ . 1 . 2]" 1
1686 1 103 VAL H 1 106 LEU HB2 . . 4.770 4.429 4.348 4.562 . 0 0 "[ . 1 . 2]" 1
1687 1 103 VAL H 1 106 LEU HB3 . . 5.500 5.333 5.176 5.502 0.002 6 0 "[ . 1 . 2]" 1
1688 1 103 VAL H 1 107 TYR HB2 . . 4.420 3.138 3.075 3.168 . 0 0 "[ . 1 . 2]" 1
1689 1 103 VAL H 1 107 TYR HB3 . . 4.830 4.841 4.728 4.885 0.055 20 0 "[ . 1 . 2]" 1
1690 1 103 VAL H 1 107 TYR QD . . 3.840 2.525 2.142 2.851 . 0 0 "[ . 1 . 2]" 1
1691 1 103 VAL H 1 107 TYR QE . . 4.890 4.436 3.979 4.860 . 0 0 "[ . 1 . 2]" 1
1692 1 103 VAL HA 1 103 VAL MG2 . . 2.820 2.239 2.121 2.426 . 0 0 "[ . 1 . 2]" 1
1693 1 103 VAL HA 1 104 ASN H . . 3.220 2.566 2.510 2.637 . 0 0 "[ . 1 . 2]" 1
1694 1 103 VAL HA 1 105 GLY H . . 4.960 3.295 3.090 3.486 . 0 0 "[ . 1 . 2]" 1
1695 1 103 VAL HB 1 104 ASN H . . 4.320 3.816 3.735 3.839 . 0 0 "[ . 1 . 2]" 1
1696 1 103 VAL MG1 1 104 ASN HB2 . . 4.120 2.732 2.180 3.374 . 0 0 "[ . 1 . 2]" 1
1697 1 103 VAL MG1 1 104 ASN HB3 . . 3.670 3.942 3.695 4.349 0.679 16 5 "[ . -* * *.+ 2]" 1
1698 1 103 VAL MG1 1 104 ASN HD21 . . 4.120 3.697 2.878 4.089 . 0 0 "[ . 1 . 2]" 1
1699 1 103 VAL MG1 1 106 LEU H . . 4.460 4.066 3.985 4.330 . 0 0 "[ . 1 . 2]" 1
1700 1 103 VAL MG1 1 107 TYR HB2 . . 4.620 3.940 3.779 4.140 . 0 0 "[ . 1 . 2]" 1
1701 1 103 VAL MG1 1 107 TYR QD . . 3.190 2.249 2.150 2.543 . 0 0 "[ . 1 . 2]" 1
1702 1 103 VAL MG1 1 107 TYR QE . . 3.030 2.345 1.972 2.776 . 0 0 "[ . 1 . 2]" 1
1703 1 103 VAL MG2 1 104 ASN H . . 3.540 1.789 1.766 1.817 . 0 0 "[ . 1 . 2]" 1
1704 1 103 VAL MG2 1 104 ASN HA . . 4.210 3.389 3.207 3.489 . 0 0 "[ . 1 . 2]" 1
1705 1 103 VAL MG2 1 104 ASN HB2 . . 3.970 3.201 2.510 4.042 0.072 9 0 "[ . 1 . 2]" 1
1706 1 103 VAL MG2 1 104 ASN HD21 . . 3.710 2.856 2.663 3.135 . 0 0 "[ . 1 . 2]" 1
1707 1 103 VAL MG2 1 104 ASN HD22 . . 4.320 3.800 2.172 4.367 0.047 11 0 "[ . 1 . 2]" 1
1708 1 103 VAL MG2 1 105 GLY H . . 5.350 4.013 3.902 4.132 . 0 0 "[ . 1 . 2]" 1
1709 1 103 VAL MG2 1 107 TYR QD . . 4.620 4.683 4.634 4.739 0.119 20 0 "[ . 1 . 2]" 1
1710 1 104 ASN H 1 104 ASN HD21 . . 4.660 3.319 2.640 3.925 . 0 0 "[ . 1 . 2]" 1
1711 1 104 ASN H 1 105 GLY H . . 4.130 2.894 2.724 2.990 . 0 0 "[ . 1 . 2]" 1
1712 1 104 ASN H 1 106 LEU H . . 4.710 4.250 4.236 4.285 . 0 0 "[ . 1 . 2]" 1
1713 1 104 ASN HA 1 104 ASN HD22 . . 5.490 3.812 3.699 3.945 . 0 0 "[ . 1 . 2]" 1
1714 1 104 ASN HB2 1 105 GLY H . . 4.620 4.395 4.277 4.523 . 0 0 "[ . 1 . 2]" 1
1715 1 104 ASN HB2 1 106 LEU MD1 . . 4.040 3.784 3.158 4.082 0.042 20 0 "[ . 1 . 2]" 1
1716 1 104 ASN HB3 1 104 ASN HD21 . . 3.570 3.230 2.575 3.490 . 0 0 "[ . 1 . 2]" 1
1717 1 104 ASN HB3 1 104 ASN HD22 . . 4.040 3.980 3.649 4.115 0.075 4 0 "[ . 1 . 2]" 1
1718 1 104 ASN HB3 1 105 GLY H . . 4.390 4.331 4.138 4.621 0.231 9 0 "[ . 1 . 2]" 1
1719 1 104 ASN HB3 1 106 LEU H . . 4.330 3.590 3.043 4.630 0.300 10 0 "[ . 1 . 2]" 1
1720 1 104 ASN HB3 1 106 LEU MD1 . . 3.910 3.045 2.545 3.931 0.021 16 0 "[ . 1 . 2]" 1
1721 1 104 ASN HB3 1 106 LEU HG . . 4.620 3.280 2.793 4.216 . 0 0 "[ . 1 . 2]" 1
1722 1 105 GLY H 1 106 LEU H . . 3.800 2.879 2.767 2.975 . 0 0 "[ . 1 . 2]" 1
1723 1 105 GLY H 1 106 LEU HG . . 5.490 5.150 4.943 5.345 . 0 0 "[ . 1 . 2]" 1
1724 1 106 LEU H 1 106 LEU HB2 . . 3.580 2.473 2.441 2.498 . 0 0 "[ . 1 . 2]" 1
1725 1 106 LEU H 1 106 LEU HB3 . . 4.090 3.633 3.606 3.664 . 0 0 "[ . 1 . 2]" 1
1726 1 106 LEU H 1 106 LEU MD2 . . 3.940 3.929 3.844 4.004 0.064 20 0 "[ . 1 . 2]" 1
1727 1 106 LEU H 1 106 LEU HG . . 3.660 3.360 3.077 3.600 . 0 0 "[ . 1 . 2]" 1
1728 1 106 LEU H 1 107 TYR H . . 4.660 4.358 4.345 4.377 . 0 0 "[ . 1 . 2]" 1
1729 1 106 LEU H 1 107 TYR QD . . 4.460 3.969 3.791 4.093 . 0 0 "[ . 1 . 2]" 1
1730 1 106 LEU H 1 107 TYR QE . . 5.350 4.808 4.378 5.131 . 0 0 "[ . 1 . 2]" 1
1731 1 106 LEU HA 1 106 LEU MD2 . . 2.870 1.984 1.900 2.149 . 0 0 "[ . 1 . 2]" 1
1732 1 106 LEU HA 1 106 LEU HG . . 4.120 2.989 2.926 3.061 . 0 0 "[ . 1 . 2]" 1
1733 1 106 LEU HA 1 107 TYR H . . 3.360 2.770 2.759 2.783 . 0 0 "[ . 1 . 2]" 1
1734 1 106 LEU HB2 1 106 LEU MD1 . . 3.210 2.386 2.199 2.529 . 0 0 "[ . 1 . 2]" 1
1735 1 106 LEU HB2 1 107 TYR H . . 3.910 3.323 3.219 3.412 . 0 0 "[ . 1 . 2]" 1
1736 1 106 LEU HB2 1 107 TYR QD . . 4.120 3.568 3.354 3.688 . 0 0 "[ . 1 . 2]" 1
1737 1 106 LEU HB2 1 107 TYR QE . . 3.670 3.519 3.412 3.674 0.004 16 0 "[ . 1 . 2]" 1
1738 1 106 LEU HB3 1 106 LEU MD1 . . 3.210 2.328 2.158 2.509 . 0 0 "[ . 1 . 2]" 1
1739 1 106 LEU HB3 1 106 LEU MD2 . . 3.270 2.417 2.295 2.519 . 0 0 "[ . 1 . 2]" 1
1740 1 106 LEU HB3 1 107 TYR H . . 3.590 1.922 1.898 1.939 . 0 0 "[ . 1 . 2]" 1
1741 1 106 LEU HB3 1 107 TYR QD . . 4.320 3.466 3.351 3.687 . 0 0 "[ . 1 . 2]" 1
1742 1 106 LEU HB3 1 107 TYR QE . . 4.620 3.726 3.578 3.994 . 0 0 "[ . 1 . 2]" 1
1743 1 106 LEU MD1 1 107 TYR H . . 4.320 3.838 3.616 4.078 . 0 0 "[ . 1 . 2]" 1
1744 1 106 LEU MD1 1 107 TYR QE . . 3.910 3.540 3.361 3.765 . 0 0 "[ . 1 . 2]" 1
1745 1 106 LEU MD2 1 107 TYR H . . 3.710 3.046 2.843 3.228 . 0 0 "[ . 1 . 2]" 1
1746 1 106 LEU MD2 1 107 TYR QE . . 5.310 4.964 4.867 5.131 . 0 0 "[ . 1 . 2]" 1
1747 1 107 TYR H 1 107 TYR QD . . 3.970 2.837 2.712 3.031 . 0 0 "[ . 1 . 2]" 1
1748 1 107 TYR H 1 107 TYR QE . . 4.320 4.191 4.128 4.315 . 0 0 "[ . 1 . 2]" 1
1749 1 107 TYR H 1 108 PRO HD2 . . 3.600 3.245 3.155 3.304 . 0 0 "[ . 1 . 2]" 1
1750 1 107 TYR H 1 108 PRO HD3 . . 3.540 2.336 2.233 2.400 . 0 0 "[ . 1 . 2]" 1
1751 1 107 TYR H 1 108 PRO HG3 . . 4.620 4.579 4.475 4.644 0.024 12 0 "[ . 1 . 2]" 1
1752 1 107 TYR HA 1 107 TYR QD . . 3.340 2.556 2.504 2.586 . 0 0 "[ . 1 . 2]" 1
1753 1 107 TYR HA 1 108 PRO HD2 . . 3.220 2.465 2.444 2.496 . 0 0 "[ . 1 . 2]" 1
1754 1 107 TYR HA 1 108 PRO HD3 . . 3.270 2.793 2.766 2.831 . 0 0 "[ . 1 . 2]" 1
1755 1 107 TYR HB3 1 108 PRO HD2 . . 4.850 4.752 4.731 4.789 . 0 0 "[ . 1 . 2]" 1
1756 1 107 TYR HB3 1 109 LEU QD . . 4.320 3.292 2.869 3.853 . 0 0 "[ . 1 . 2]" 1
1757 1 107 TYR QD 1 108 PRO HD2 . . 4.620 4.633 4.597 4.646 0.026 16 0 "[ . 1 . 2]" 1
1758 1 108 PRO HB2 1 109 LEU H . . 4.070 3.283 2.348 3.790 . 0 0 "[ . 1 . 2]" 1
1759 1 108 PRO HB3 1 109 LEU H . . 4.460 3.746 3.235 4.071 . 0 0 "[ . 1 . 2]" 1
1760 1 108 PRO HD2 1 109 LEU QD . . 4.620 4.232 4.066 4.605 . 0 0 "[ . 1 . 2]" 1
1761 1 109 LEU H 1 109 LEU HB2 . . 3.530 2.510 2.329 2.875 . 0 0 "[ . 1 . 2]" 1
1762 1 109 LEU H 1 109 LEU QD . . 3.540 2.733 2.419 3.434 . 0 0 "[ . 1 . 2]" 1
1763 1 109 LEU H 1 109 LEU HG . . 4.460 4.265 4.015 4.488 0.028 1 0 "[ . 1 . 2]" 1
1764 1 109 LEU H 1 110 THR H . . 4.660 4.165 3.696 4.396 . 0 0 "[ . 1 . 2]" 1
1765 1 109 LEU HA 1 109 LEU HG . . 3.970 3.331 2.239 3.709 . 0 0 "[ . 1 . 2]" 1
1766 1 109 LEU HB2 1 110 THR H . . 4.660 4.423 3.571 4.648 . 0 0 "[ . 1 . 2]" 1
1767 1 109 LEU HB3 1 110 THR H . . 4.490 3.595 2.258 4.207 . 0 0 "[ . 1 . 2]" 1
1768 1 109 LEU QD 1 110 THR H . . 3.910 3.511 3.277 3.858 . 0 0 "[ . 1 . 2]" 1
1769 1 110 THR H 1 110 THR HB . . 3.410 2.408 2.194 2.718 . 0 0 "[ . 1 . 2]" 1
1770 1 110 THR H 1 111 LEU H . . 5.350 4.502 3.976 4.627 . 0 0 "[ . 1 . 2]" 1
1771 1 110 THR HB 1 112 ARG HE . . 5.350 3.681 3.040 4.107 . 0 0 "[ . 1 . 2]" 1
1772 1 110 THR MG 1 111 LEU H . . 3.410 2.777 2.574 3.237 . 0 0 "[ . 1 . 2]" 1
1773 1 110 THR MG 1 112 ARG HD2 . . 4.460 4.357 4.200 4.459 . 0 0 "[ . 1 . 2]" 1
1774 1 110 THR MG 1 112 ARG HD3 . . 4.120 3.808 3.302 4.082 . 0 0 "[ . 1 . 2]" 1
1775 1 110 THR MG 1 112 ARG HE . . 4.130 1.993 1.883 2.276 . 0 0 "[ . 1 . 2]" 1
1776 1 111 LEU H 1 111 LEU HB2 . . 3.670 2.781 2.589 2.910 . 0 0 "[ . 1 . 2]" 1
1777 1 111 LEU H 1 111 LEU HB3 . . 3.620 2.264 2.177 2.421 . 0 0 "[ . 1 . 2]" 1
1778 1 111 LEU H 1 111 LEU QD . . 4.210 3.739 3.696 3.771 . 0 0 "[ . 1 . 2]" 1
1779 1 111 LEU H 1 111 LEU HG . . 4.620 4.240 4.116 4.400 . 0 0 "[ . 1 . 2]" 1
1780 1 111 LEU HA 1 111 LEU QD . . 3.090 2.090 1.974 2.351 . 0 0 "[ . 1 . 2]" 1
1781 1 111 LEU HA 1 111 LEU HG . . 4.040 3.319 3.015 3.441 . 0 0 "[ . 1 . 2]" 1
1782 1 111 LEU HA 1 112 ARG H . . 3.120 2.202 2.176 2.262 . 0 0 "[ . 1 . 2]" 1
1783 1 111 LEU HB2 1 111 LEU QD . . 3.270 2.135 2.070 2.190 . 0 0 "[ . 1 . 2]" 1
1784 1 111 LEU HB2 1 112 ARG H . . 4.320 4.176 4.033 4.336 0.016 13 0 "[ . 1 . 2]" 1
1785 1 111 LEU HB3 1 112 ARG H . . 5.040 4.368 4.182 4.533 . 0 0 "[ . 1 . 2]" 1
1786 1 111 LEU QD 1 112 ARG H . . 3.220 2.246 1.906 2.687 . 0 0 "[ . 1 . 2]" 1
1787 1 111 LEU HG 1 112 ARG H . . 4.210 3.409 3.035 3.958 . 0 0 "[ . 1 . 2]" 1
1788 1 112 ARG H 1 112 ARG HB2 . . 4.070 2.601 2.481 2.759 . 0 0 "[ . 1 . 2]" 1
1789 1 112 ARG H 1 112 ARG HD2 . . 5.500 5.410 5.115 5.516 0.016 10 0 "[ . 1 . 2]" 1
1790 1 112 ARG H 1 112 ARG HD3 . . 5.350 4.522 4.318 4.684 . 0 0 "[ . 1 . 2]" 1
1791 1 112 ARG H 1 112 ARG HE . . 5.500 5.440 5.227 5.508 0.008 7 0 "[ . 1 . 2]" 1
1792 1 112 ARG H 1 112 ARG HG2 . . 4.120 3.213 2.992 3.346 . 0 0 "[ . 1 . 2]" 1
1793 1 112 ARG H 1 112 ARG HG3 . . 4.890 4.252 4.009 4.400 . 0 0 "[ . 1 . 2]" 1
1794 1 112 ARG H 1 113 TRP H . . 4.660 4.456 4.385 4.521 . 0 0 "[ . 1 . 2]" 1
1795 1 112 ARG HA 1 112 ARG HD2 . . 3.710 3.406 3.058 3.604 . 0 0 "[ . 1 . 2]" 1
1796 1 112 ARG HA 1 112 ARG HD3 . . 3.510 2.051 1.996 2.271 . 0 0 "[ . 1 . 2]" 1
1797 1 112 ARG HA 1 112 ARG HE . . 5.500 4.150 3.792 4.483 . 0 0 "[ . 1 . 2]" 1
1798 1 112 ARG HA 1 112 ARG HG2 . . 3.430 2.760 2.681 2.886 . 0 0 "[ . 1 . 2]" 1
1799 1 112 ARG HA 1 113 TRP H . . 3.220 2.512 2.383 2.692 . 0 0 "[ . 1 . 2]" 1
1800 1 112 ARG HB2 1 112 ARG HD2 . . 4.210 3.734 3.615 3.830 . 0 0 "[ . 1 . 2]" 1
1801 1 112 ARG HB2 1 112 ARG HE . . 5.490 4.654 4.616 4.680 . 0 0 "[ . 1 . 2]" 1
1802 1 112 ARG HB2 1 113 TRP H . . 4.150 3.753 3.455 3.982 . 0 0 "[ . 1 . 2]" 1
1803 1 112 ARG HB3 1 113 TRP H . . 3.650 2.470 2.070 2.796 . 0 0 "[ . 1 . 2]" 1
1804 1 112 ARG HD2 1 113 TRP H . . 4.460 3.879 3.599 4.159 . 0 0 "[ . 1 . 2]" 1
1805 1 112 ARG HD3 1 113 TRP H . . 4.620 3.298 2.863 3.635 . 0 0 "[ . 1 . 2]" 1
1806 1 112 ARG HE 1 112 ARG HG3 . . 4.210 2.763 2.547 2.929 . 0 0 "[ . 1 . 2]" 1
1807 1 112 ARG HG3 1 113 TRP H . . 5.130 4.834 4.511 5.099 . 0 0 "[ . 1 . 2]" 1
1808 1 113 TRP H 1 113 TRP HB2 . . 3.850 3.433 3.139 3.611 . 0 0 "[ . 1 . 2]" 1
1809 1 113 TRP H 1 113 TRP HB3 . . 3.590 2.574 2.394 2.761 . 0 0 "[ . 1 . 2]" 1
1810 1 113 TRP H 1 113 TRP HD1 . . 5.350 4.150 3.763 4.460 . 0 0 "[ . 1 . 2]" 1
1811 1 113 TRP H 1 114 SER H . . 5.130 4.333 4.155 4.492 . 0 0 "[ . 1 . 2]" 1
1812 1 113 TRP HA 1 113 TRP HD1 . . 4.210 4.137 3.999 4.213 0.003 17 0 "[ . 1 . 2]" 1
1813 1 113 TRP HA 1 113 TRP HE3 . . 4.040 3.649 3.334 3.968 . 0 0 "[ . 1 . 2]" 1
1814 1 113 TRP HA 1 114 SER H . . 3.080 2.261 2.218 2.355 . 0 0 "[ . 1 . 2]" 1
1815 1 113 TRP HB3 1 113 TRP HD1 . . 3.480 2.914 2.807 3.036 . 0 0 "[ . 1 . 2]" 1
1816 1 113 TRP HB3 1 113 TRP HE1 . . 5.350 5.017 4.979 5.063 . 0 0 "[ . 1 . 2]" 1
1817 1 113 TRP HB3 1 113 TRP HE3 . . 3.970 3.872 3.741 3.981 0.011 17 0 "[ . 1 . 2]" 1
1818 1 113 TRP HB3 1 114 SER H . . 4.620 4.337 4.139 4.475 . 0 0 "[ . 1 . 2]" 1
1819 1 113 TRP HD1 1 114 SER H . . 5.130 3.841 3.237 4.115 . 0 0 "[ . 1 . 2]" 1
1820 1 113 TRP HE1 1 115 GLY H . . 5.350 4.860 4.148 5.274 . 0 0 "[ . 1 . 2]" 1
1821 1 113 TRP HE1 1 115 GLY HA3 . . 4.460 3.004 2.313 4.359 . 0 0 "[ . 1 . 2]" 1
1822 1 113 TRP HE3 1 114 SER H . . 4.960 4.634 4.265 4.909 . 0 0 "[ . 1 . 2]" 1
1823 1 114 SER H 1 114 SER HB2 . . 3.750 2.664 2.359 3.060 . 0 0 "[ . 1 . 2]" 1
1824 1 114 SER H 1 114 SER HB3 . . 3.360 2.446 2.132 2.866 . 0 0 "[ . 1 . 2]" 1
1825 1 114 SER H 1 115 GLY H . . 4.830 4.590 4.465 4.649 . 0 0 "[ . 1 . 2]" 1
1826 1 114 SER HA 1 115 GLY H . . 3.270 2.299 2.233 2.421 . 0 0 "[ . 1 . 2]" 1
1827 1 114 SER HB2 1 115 GLY H . . 4.460 4.135 3.786 4.427 . 0 0 "[ . 1 . 2]" 1
1828 1 114 SER HB3 1 115 GLY H . . 4.120 4.072 3.505 4.461 0.341 7 0 "[ . 1 . 2]" 1
1829 1 115 GLY HA2 1 116 PRO HD2 . . 3.600 3.022 2.195 3.637 0.037 10 0 "[ . 1 . 2]" 1
1830 1 115 GLY HA3 1 116 PRO HD2 . . 3.510 2.620 2.195 3.631 0.121 1 0 "[ . 1 . 2]" 1
1831 1 116 PRO HB3 1 117 SER H . . 4.710 4.150 3.500 4.710 0.000 15 0 "[ . 1 . 2]" 1
1832 1 117 SER H 1 118 SER QB . . 4.530 4.053 3.268 4.528 . 0 0 "[ . 1 . 2]" 1
1833 1 118 SER QB 1 119 GLY H . . 5.230 3.260 2.211 4.084 . 0 0 "[ . 1 . 2]" 1
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