NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423813 |
2fgx   |
6929 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fgx
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 726
_Distance_constraint_stats_list.Viol_count 1094
_Distance_constraint_stats_list.Viol_total 4502.508
_Distance_constraint_stats_list.Viol_max 1.592
_Distance_constraint_stats_list.Viol_rms 0.0999
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.2058
_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 26 GLN 0.173 0.104 10 0 "[ . 1 . 2]"
1 27 VAL 13.036 1.365 4 9 "[ *+.** *1** - * 2]"
1 28 GLU 12.862 1.365 4 9 "[ *+.** *1** - * 2]"
1 29 PRO 3.524 0.703 2 3 "[ + *.- 1 . 2]"
1 30 ARG 0.372 0.072 5 0 "[ . 1 . 2]"
1 31 LYS 30.495 1.592 13 16 "[****.**-*1**+**** *2]"
1 32 LEU 1.138 0.086 18 0 "[ . 1 . 2]"
1 33 VAL 4.679 0.213 10 0 "[ . 1 . 2]"
1 34 VAL 6.762 0.233 12 0 "[ . 1 . 2]"
1 35 TYR 2.057 0.257 18 0 "[ . 1 . 2]"
1 36 GLY 0.023 0.023 13 0 "[ . 1 . 2]"
1 37 ARG 2.772 0.544 13 3 "[- . 1* + . 2]"
1 38 GLU 0.076 0.044 4 0 "[ . 1 . 2]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 1.061 0.148 5 0 "[ . 1 . 2]"
1 43 CYS 0.056 0.037 12 0 "[ . 1 . 2]"
1 44 GLU 14.954 0.825 2 19 "[*+***** ***-********]"
1 45 GLU 15.919 0.825 2 19 "[*+***** ***-********]"
1 46 MET 8.149 0.929 7 6 "[ *. + -* ** 2]"
1 47 ILE 0.458 0.055 15 0 "[ . 1 . 2]"
1 48 ALA 0.685 0.059 19 0 "[ . 1 . 2]"
1 49 SER 1.471 0.125 3 0 "[ . 1 . 2]"
1 50 LEU 3.821 0.471 3 0 "[ . 1 . 2]"
1 51 ARG 1.769 0.342 20 0 "[ . 1 . 2]"
1 52 VAL 8.520 0.691 6 5 "[* .+ * 1 *. - 2]"
1 53 LEU 5.810 0.471 3 0 "[ . 1 . 2]"
1 54 GLN 0.826 0.099 3 0 "[ . 1 . 2]"
1 55 LYS 8.376 0.691 6 5 "[* .+ * 1 *. - 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 3.908 0.319 7 0 "[ . 1 . 2]"
1 58 TRP 39.099 1.461 15 20 [**************+*****]
1 59 PHE 14.229 0.709 5 17 "[ ***+-****** *.*****]"
1 60 GLU 78.293 1.592 13 20 [************+*-*****]
1 61 LEU 3.177 0.163 1 0 "[ . 1 . 2]"
1 62 GLU 0.247 0.048 1 0 "[ . 1 . 2]"
1 63 VAL 0.045 0.023 13 0 "[ . 1 . 2]"
1 64 ILE 1.869 0.116 8 0 "[ . 1 . 2]"
1 65 ASN 0.626 0.155 10 0 "[ . 1 . 2]"
1 66 ILE 3.489 0.544 13 3 "[- . 1* + . 2]"
1 67 ASP 0.103 0.084 16 0 "[ . 1 . 2]"
1 69 ASN 0.173 0.055 14 0 "[ . 1 . 2]"
1 70 GLU 0.087 0.053 17 0 "[ . 1 . 2]"
1 71 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.720 0.120 4 0 "[ . 1 . 2]"
1 73 THR 1.042 0.295 20 0 "[ . 1 . 2]"
1 74 ARG 1.854 0.163 7 0 "[ . 1 . 2]"
1 75 LEU 0.030 0.030 10 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASN 2.571 0.295 20 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 4.748 0.268 13 0 "[ . 1 . 2]"
1 80 VAL 14.565 0.935 16 11 "[-** .* ****** .+ 2]"
1 81 PRO 13.823 0.935 16 11 "[-** .* ****** .+ 2]"
1 82 VAL 8.901 0.334 17 0 "[ . 1 . 2]"
1 83 LEU 5.530 0.233 12 0 "[ . 1 . 2]"
1 84 PHE 0.137 0.053 9 0 "[ . 1 . 2]"
1 85 ALA 1.087 0.092 6 0 "[ . 1 . 2]"
1 86 VAL 5.042 0.353 16 0 "[ . 1 . 2]"
1 87 ASN 0.554 0.093 18 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.421 0.242 9 0 "[ . 1 . 2]"
1 90 LYS 0.272 0.242 9 0 "[ . 1 . 2]"
1 91 GLU 2.584 0.334 17 0 "[ . 1 . 2]"
1 92 LEU 5.812 0.333 4 0 "[ . 1 . 2]"
1 93 CYS 2.946 0.326 1 0 "[ . 1 . 2]"
1 94 HIS 0.493 0.170 13 0 "[ . 1 . 2]"
1 95 TYR 0.177 0.134 16 0 "[ . 1 . 2]"
1 96 PHE 15.669 1.265 15 12 "[ **-****** * *+ 2]"
1 97 LEU 24.718 1.265 15 13 "[ *******-* * *+* 2]"
1 98 ASP 0.526 0.110 4 0 "[ . 1 . 2]"
1 99 SER 0.119 0.064 2 0 "[ . 1 . 2]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 5.380 0.326 1 0 "[ . 1 . 2]"
1 102 ILE 13.923 0.399 3 0 "[ . 1 . 2]"
1 103 GLY 6.197 0.399 3 0 "[ . 1 . 2]"
1 104 ALA 2.717 0.196 1 0 "[ . 1 . 2]"
1 105 TYR 0.377 0.111 14 0 "[ . 1 . 2]"
1 106 LEU 0.216 0.137 14 0 "[ . 1 . 2]"
1 107 SER 0.931 0.207 8 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 26 GLN HA 1 27 VAL H . . 3.330 2.280 2.057 2.667 . 0 0 "[ . 1 . 2]" 1
2 1 26 GLN HA 1 27 VAL MG1 . . 4.530 3.848 3.172 4.447 . 0 0 "[ . 1 . 2]" 1
3 1 26 GLN HA 1 27 VAL MG2 . . 4.000 3.751 3.401 4.104 0.104 10 0 "[ . 1 . 2]" 1
4 1 26 GLN HB3 1 27 VAL H . . 5.500 4.050 1.977 4.508 . 0 0 "[ . 1 . 2]" 1
5 1 27 VAL H 1 27 VAL HB . . 3.900 3.690 3.590 3.798 . 0 0 "[ . 1 . 2]" 1
6 1 27 VAL H 1 27 VAL MG1 . . 3.670 2.687 2.271 3.123 . 0 0 "[ . 1 . 2]" 1
7 1 27 VAL H 1 27 VAL MG2 . . 3.670 1.978 1.781 2.138 . 0 0 "[ . 1 . 2]" 1
8 1 27 VAL H 1 28 GLU H . . 4.420 4.419 4.011 4.542 0.122 14 0 "[ . 1 . 2]" 1
9 1 27 VAL HA 1 27 VAL MG1 . . 3.590 2.306 2.202 2.400 . 0 0 "[ . 1 . 2]" 1
10 1 27 VAL HA 1 27 VAL MG2 . . 3.380 3.197 3.174 3.213 . 0 0 "[ . 1 . 2]" 1
11 1 27 VAL HA 1 28 GLU H . . 2.990 2.321 2.092 2.667 . 0 0 "[ . 1 . 2]" 1
12 1 27 VAL HA 1 28 GLU HA . . 4.750 4.354 4.272 4.470 . 0 0 "[ . 1 . 2]" 1
13 1 27 VAL HA 1 28 GLU HB3 . . 4.340 4.943 4.278 5.705 1.365 4 9 "[ *+.** *1** - * 2]" 1
14 1 27 VAL HB 1 28 GLU H . . 4.420 2.580 1.855 3.866 . 0 0 "[ . 1 . 2]" 1
15 1 27 VAL MG1 1 28 GLU H . . 4.850 3.617 3.343 3.964 . 0 0 "[ . 1 . 2]" 1
16 1 27 VAL MG2 1 28 GLU H . . 4.680 3.538 2.933 4.260 . 0 0 "[ . 1 . 2]" 1
17 1 28 GLU H 1 28 GLU HB3 . . 3.980 3.245 2.514 3.879 . 0 0 "[ . 1 . 2]" 1
18 1 28 GLU H 1 29 PRO HD3 . . 5.500 4.934 4.296 5.183 . 0 0 "[ . 1 . 2]" 1
19 1 28 GLU HA 1 29 PRO HD3 . . 3.270 2.279 1.804 2.545 . 0 0 "[ . 1 . 2]" 1
20 1 28 GLU HB3 1 29 PRO HD3 . . 4.520 3.745 3.210 4.426 . 0 0 "[ . 1 . 2]" 1
21 1 29 PRO HA 1 30 ARG H . . 3.130 2.310 2.116 2.602 . 0 0 "[ . 1 . 2]" 1
22 1 29 PRO HB3 1 30 ARG H . . 4.670 3.654 3.273 4.139 . 0 0 "[ . 1 . 2]" 1
23 1 29 PRO HB3 1 58 TRP HD1 . . 4.400 2.756 1.767 4.589 0.189 1 0 "[ . 1 . 2]" 1
24 1 29 PRO HB3 1 59 PHE HA . . 4.760 4.689 3.617 5.463 0.703 2 3 "[ + *.- 1 . 2]" 1
25 1 30 ARG H 1 59 PHE HA . . 4.910 3.076 2.182 4.103 . 0 0 "[ . 1 . 2]" 1
26 1 30 ARG HA 1 31 LYS H . . 3.510 2.574 2.094 3.511 0.001 3 0 "[ . 1 . 2]" 1
27 1 30 ARG HA 1 87 ASN HD22 . . 4.880 4.362 2.449 4.952 0.072 5 0 "[ . 1 . 2]" 1
28 1 31 LYS H 1 31 LYS HB3 . . 4.370 3.143 2.408 3.887 . 0 0 "[ . 1 . 2]" 1
29 1 31 LYS HA 1 32 LEU H . . 3.850 2.168 2.090 2.287 . 0 0 "[ . 1 . 2]" 1
30 1 31 LYS HA 1 60 GLU H . . 4.490 4.431 4.245 4.580 0.090 1 0 "[ . 1 . 2]" 1
31 1 31 LYS HA 1 60 GLU HB3 . . 4.080 4.135 3.419 4.855 0.775 1 2 "[+ . 1 - . 2]" 1
32 1 31 LYS HB3 1 60 GLU HB3 . . 4.220 5.342 4.090 5.812 1.592 13 16 "[****.**-*1**+**** *2]" 1
33 1 31 LYS HB3 1 86 VAL MG2 . . 4.920 2.822 2.330 3.159 . 0 0 "[ . 1 . 2]" 1
34 1 31 LYS HE3 1 33 VAL MG2 . . 4.130 3.968 2.497 4.242 0.112 18 0 "[ . 1 . 2]" 1
35 1 31 LYS HE3 1 60 GLU HB3 . . 4.230 2.814 2.260 4.037 . 0 0 "[ . 1 . 2]" 1
36 1 31 LYS HE3 1 86 VAL MG1 . . 4.950 5.094 4.478 5.303 0.353 16 0 "[ . 1 . 2]" 1
37 1 31 LYS HG3 1 60 GLU HB3 . . 4.950 3.805 2.610 4.659 . 0 0 "[ . 1 . 2]" 1
38 1 32 LEU H 1 32 LEU MD1 . . 5.190 4.037 3.935 4.211 . 0 0 "[ . 1 . 2]" 1
39 1 32 LEU H 1 32 LEU MD2 . . 4.590 3.842 3.566 4.057 . 0 0 "[ . 1 . 2]" 1
40 1 32 LEU H 1 32 LEU HG . . 4.760 3.095 2.838 3.279 . 0 0 "[ . 1 . 2]" 1
41 1 32 LEU H 1 60 GLU HB3 . . 5.500 4.290 3.924 4.704 . 0 0 "[ . 1 . 2]" 1
42 1 32 LEU H 1 61 LEU H . . 5.190 5.042 4.622 5.215 0.025 17 0 "[ . 1 . 2]" 1
43 1 32 LEU H 1 61 LEU HA . . 5.120 4.117 3.616 4.419 . 0 0 "[ . 1 . 2]" 1
44 1 32 LEU H 1 61 LEU MD1 . . 5.040 4.734 4.279 5.093 0.053 6 0 "[ . 1 . 2]" 1
45 1 32 LEU H 1 86 VAL MG2 . . 5.500 4.137 3.567 4.689 . 0 0 "[ . 1 . 2]" 1
46 1 32 LEU HA 1 32 LEU MD2 . . 3.370 1.953 1.856 2.050 . 0 0 "[ . 1 . 2]" 1
47 1 32 LEU HA 1 32 LEU HG . . 4.410 3.027 2.867 3.217 . 0 0 "[ . 1 . 2]" 1
48 1 32 LEU HA 1 33 VAL H . . 3.720 2.155 2.111 2.248 . 0 0 "[ . 1 . 2]" 1
49 1 32 LEU HA 1 33 VAL MG2 . . 4.400 3.850 3.686 4.007 . 0 0 "[ . 1 . 2]" 1
50 1 32 LEU HA 1 83 LEU MD2 . . 4.370 4.181 3.807 4.422 0.052 16 0 "[ . 1 . 2]" 1
51 1 32 LEU HA 1 85 ALA HA . . 4.800 3.223 2.939 3.440 . 0 0 "[ . 1 . 2]" 1
52 1 32 LEU HA 1 86 VAL H . . 5.500 2.936 2.485 3.439 . 0 0 "[ . 1 . 2]" 1
53 1 32 LEU HA 1 86 VAL MG2 . . 4.140 2.873 2.338 3.574 . 0 0 "[ . 1 . 2]" 1
54 1 32 LEU HB3 1 32 LEU MD1 . . 3.470 2.362 2.270 2.406 . 0 0 "[ . 1 . 2]" 1
55 1 32 LEU HB3 1 32 LEU MD2 . . 3.450 2.377 2.342 2.494 . 0 0 "[ . 1 . 2]" 1
56 1 32 LEU HB3 1 33 VAL H . . 4.890 3.171 2.818 3.492 . 0 0 "[ . 1 . 2]" 1
57 1 32 LEU HB3 1 83 LEU MD2 . . 4.760 2.225 1.878 2.518 . 0 0 "[ . 1 . 2]" 1
58 1 32 LEU MD1 1 32 LEU MD2 . . 2.950 2.084 2.076 2.095 . 0 0 "[ . 1 . 2]" 1
59 1 32 LEU MD1 1 59 PHE HB3 . . 4.900 3.544 3.151 4.012 . 0 0 "[ . 1 . 2]" 1
60 1 32 LEU MD1 1 83 LEU MD1 . . 3.810 2.041 1.721 2.566 . 0 0 "[ . 1 . 2]" 1
61 1 32 LEU MD1 1 83 LEU MD2 . . 2.840 2.456 2.103 2.866 0.026 20 0 "[ . 1 . 2]" 1
62 1 32 LEU MD1 1 102 ILE MD . . 3.090 1.749 1.707 1.786 . 0 0 "[ . 1 . 2]" 1
63 1 32 LEU MD2 1 33 VAL H . . 4.380 3.346 3.021 3.661 . 0 0 "[ . 1 . 2]" 1
64 1 32 LEU MD2 1 83 LEU HG . . 4.750 4.562 4.028 4.817 0.067 8 0 "[ . 1 . 2]" 1
65 1 32 LEU MD2 1 85 ALA HA . . 3.390 2.212 1.957 2.420 . 0 0 "[ . 1 . 2]" 1
66 1 32 LEU MD2 1 85 ALA MB . . 3.180 3.075 2.885 3.243 0.063 10 0 "[ . 1 . 2]" 1
67 1 32 LEU MD2 1 86 VAL H . . 4.970 3.057 2.319 3.639 . 0 0 "[ . 1 . 2]" 1
68 1 32 LEU MD2 1 92 LEU MD1 . . 3.070 2.372 1.902 3.156 0.086 18 0 "[ . 1 . 2]" 1
69 1 32 LEU HG 1 33 VAL H . . 5.500 4.995 4.759 5.194 . 0 0 "[ . 1 . 2]" 1
70 1 33 VAL H 1 33 VAL HB . . 4.140 2.540 2.473 2.671 . 0 0 "[ . 1 . 2]" 1
71 1 33 VAL H 1 33 VAL MG2 . . 4.600 2.822 2.628 3.027 . 0 0 "[ . 1 . 2]" 1
72 1 33 VAL H 1 34 VAL MG2 . . 5.500 4.620 4.403 4.806 . 0 0 "[ . 1 . 2]" 1
73 1 33 VAL H 1 83 LEU MD2 . . 5.030 3.869 3.076 4.416 . 0 0 "[ . 1 . 2]" 1
74 1 33 VAL H 1 84 PHE H . . 4.700 3.093 2.798 3.344 . 0 0 "[ . 1 . 2]" 1
75 1 33 VAL H 1 85 ALA HA . . 5.030 4.113 3.867 4.356 . 0 0 "[ . 1 . 2]" 1
76 1 33 VAL H 1 86 VAL H . . 5.250 3.801 3.580 4.138 . 0 0 "[ . 1 . 2]" 1
77 1 33 VAL H 1 86 VAL MG2 . . 4.600 2.740 2.361 3.186 . 0 0 "[ . 1 . 2]" 1
78 1 33 VAL HA 1 33 VAL MG2 . . 3.470 2.338 2.307 2.372 . 0 0 "[ . 1 . 2]" 1
79 1 33 VAL HA 1 34 VAL H . . 3.740 2.165 2.114 2.207 . 0 0 "[ . 1 . 2]" 1
80 1 33 VAL HA 1 34 VAL MG2 . . 4.070 3.678 3.468 3.867 . 0 0 "[ . 1 . 2]" 1
81 1 33 VAL HA 1 61 LEU HA . . 4.620 4.550 4.180 4.692 0.072 20 0 "[ . 1 . 2]" 1
82 1 33 VAL HA 1 61 LEU MD1 . . 4.340 3.969 3.630 4.357 0.017 16 0 "[ . 1 . 2]" 1
83 1 33 VAL HA 1 62 GLU H . . 4.310 2.830 2.605 3.010 . 0 0 "[ . 1 . 2]" 1
84 1 33 VAL HA 1 86 VAL MG2 . . 4.260 4.073 3.814 4.278 0.018 18 0 "[ . 1 . 2]" 1
85 1 33 VAL HB 1 84 PHE H . . 5.500 3.604 3.269 3.850 . 0 0 "[ . 1 . 2]" 1
86 1 33 VAL HB 1 84 PHE HB3 . . 4.500 2.065 1.748 2.408 . 0 0 "[ . 1 . 2]" 1
87 1 33 VAL HB 1 86 VAL MG2 . . 4.230 3.032 2.692 3.290 . 0 0 "[ . 1 . 2]" 1
88 1 33 VAL MG1 1 33 VAL MG2 . . 2.760 2.084 2.073 2.094 . 0 0 "[ . 1 . 2]" 1
89 1 33 VAL MG1 1 34 VAL H . . 4.400 2.587 2.434 2.684 . 0 0 "[ . 1 . 2]" 1
90 1 33 VAL MG1 1 34 VAL MG1 . . 4.400 4.554 4.471 4.613 0.213 10 0 "[ . 1 . 2]" 1
91 1 33 VAL MG1 1 62 GLU HB3 . . 5.170 2.730 2.051 3.184 . 0 0 "[ . 1 . 2]" 1
92 1 33 VAL MG1 1 64 ILE H . . 4.550 3.289 2.682 3.606 . 0 0 "[ . 1 . 2]" 1
93 1 33 VAL MG1 1 64 ILE HB . . 5.170 2.937 2.504 3.332 . 0 0 "[ . 1 . 2]" 1
94 1 33 VAL MG1 1 64 ILE MD . . 3.010 1.944 1.785 2.339 . 0 0 "[ . 1 . 2]" 1
95 1 33 VAL MG1 1 64 ILE HG13 . . 4.370 2.447 2.260 2.866 . 0 0 "[ . 1 . 2]" 1
96 1 33 VAL MG1 1 64 ILE MG . . 4.160 3.804 3.543 4.163 0.003 12 0 "[ . 1 . 2]" 1
97 1 33 VAL MG1 1 84 PHE H . . 5.370 3.935 3.710 4.207 . 0 0 "[ . 1 . 2]" 1
98 1 33 VAL MG1 1 86 VAL MG2 . . 3.870 3.890 3.716 4.007 0.137 12 0 "[ . 1 . 2]" 1
99 1 33 VAL MG2 1 34 VAL H . . 4.840 3.883 3.791 3.971 . 0 0 "[ . 1 . 2]" 1
100 1 33 VAL MG2 1 62 GLU H . . 4.860 3.908 3.624 4.246 . 0 0 "[ . 1 . 2]" 1
101 1 33 VAL MG2 1 62 GLU HB3 . . 3.950 1.858 1.733 2.051 . 0 0 "[ . 1 . 2]" 1
102 1 33 VAL MG2 1 62 GLU HG3 . . 4.170 3.853 2.895 4.218 0.048 1 0 "[ . 1 . 2]" 1
103 1 33 VAL MG2 1 84 PHE H . . 5.500 4.863 4.588 5.063 . 0 0 "[ . 1 . 2]" 1
104 1 34 VAL H 1 34 VAL MG1 . . 4.760 3.805 3.758 3.846 . 0 0 "[ . 1 . 2]" 1
105 1 34 VAL H 1 34 VAL MG2 . . 4.200 2.544 2.213 2.832 . 0 0 "[ . 1 . 2]" 1
106 1 34 VAL H 1 35 TYR H . . 5.240 4.241 4.149 4.372 . 0 0 "[ . 1 . 2]" 1
107 1 34 VAL H 1 62 GLU H . . 4.650 3.480 3.102 3.759 . 0 0 "[ . 1 . 2]" 1
108 1 34 VAL H 1 63 VAL HA . . 4.550 3.000 2.693 3.411 . 0 0 "[ . 1 . 2]" 1
109 1 34 VAL H 1 63 VAL MG2 . . 4.900 3.896 3.454 4.263 . 0 0 "[ . 1 . 2]" 1
110 1 34 VAL H 1 64 ILE H . . 5.500 3.868 3.533 4.174 . 0 0 "[ . 1 . 2]" 1
111 1 34 VAL HA 1 35 TYR H . . 5.500 2.149 2.127 2.178 . 0 0 "[ . 1 . 2]" 1
112 1 34 VAL HB 1 35 TYR H . . 5.040 4.347 4.265 4.448 . 0 0 "[ . 1 . 2]" 1
113 1 34 VAL HB 1 63 VAL HA . . 4.850 2.769 2.507 3.090 . 0 0 "[ . 1 . 2]" 1
114 1 34 VAL HB 1 63 VAL MG1 . . 3.790 3.223 2.628 3.812 0.022 11 0 "[ . 1 . 2]" 1
115 1 34 VAL HB 1 64 ILE H . . 5.320 4.062 3.800 4.498 . 0 0 "[ . 1 . 2]" 1
116 1 34 VAL HB 1 83 LEU MD2 . . 3.950 4.130 4.087 4.183 0.233 12 0 "[ . 1 . 2]" 1
117 1 34 VAL MG1 1 34 VAL MG2 . . 2.540 2.086 2.076 2.093 . 0 0 "[ . 1 . 2]" 1
118 1 34 VAL MG1 1 35 TYR H . . 4.380 3.048 2.839 3.196 . 0 0 "[ . 1 . 2]" 1
119 1 34 VAL MG1 1 35 TYR HA . . 4.640 3.971 3.771 4.363 . 0 0 "[ . 1 . 2]" 1
120 1 34 VAL MG1 1 43 CYS HA . . 4.680 3.997 3.172 4.717 0.037 12 0 "[ . 1 . 2]" 1
121 1 34 VAL MG1 1 82 VAL H . . 5.300 3.245 2.921 3.623 . 0 0 "[ . 1 . 2]" 1
122 1 34 VAL MG2 1 35 TYR H . . 4.710 4.147 4.007 4.290 . 0 0 "[ . 1 . 2]" 1
123 1 35 TYR H 1 82 VAL H . . 4.620 3.155 2.714 3.790 . 0 0 "[ . 1 . 2]" 1
124 1 35 TYR H 1 82 VAL MG1 . . 5.340 4.474 2.339 5.138 . 0 0 "[ . 1 . 2]" 1
125 1 35 TYR H 1 82 VAL MG2 . . 5.320 3.294 2.494 5.065 . 0 0 "[ . 1 . 2]" 1
126 1 35 TYR H 1 83 LEU HA . . 4.970 3.932 3.635 4.286 . 0 0 "[ . 1 . 2]" 1
127 1 35 TYR HA 1 36 GLY H . . 3.750 2.151 2.095 2.293 . 0 0 "[ . 1 . 2]" 1
128 1 35 TYR HA 1 64 ILE H . . 5.500 3.105 2.782 3.498 . 0 0 "[ . 1 . 2]" 1
129 1 35 TYR HA 1 64 ILE MG . . 4.690 4.117 3.865 4.342 . 0 0 "[ . 1 . 2]" 1
130 1 35 TYR HA 1 66 ILE MG . . 4.860 3.268 2.800 3.945 . 0 0 "[ . 1 . 2]" 1
131 1 35 TYR HB3 1 66 ILE MG . . 4.870 2.238 1.898 2.655 . 0 0 "[ . 1 . 2]" 1
132 1 35 TYR HB3 1 82 VAL HB . . 4.730 4.694 3.623 4.987 0.257 18 0 "[ . 1 . 2]" 1
133 1 36 GLY H 1 37 ARG H . . 5.080 4.343 4.088 4.584 . 0 0 "[ . 1 . 2]" 1
134 1 36 GLY H 1 63 VAL MG1 . . 4.970 3.894 3.013 4.993 0.023 13 0 "[ . 1 . 2]" 1
135 1 36 GLY H 1 64 ILE H . . 4.410 3.491 2.789 4.278 . 0 0 "[ . 1 . 2]" 1
136 1 36 GLY H 1 64 ILE HB . . 5.500 4.239 3.925 4.588 . 0 0 "[ . 1 . 2]" 1
137 1 36 GLY H 1 65 ASN HA . . 4.290 3.139 2.687 3.634 . 0 0 "[ . 1 . 2]" 1
138 1 36 GLY H 1 66 ILE H . . 4.720 3.436 3.077 3.831 . 0 0 "[ . 1 . 2]" 1
139 1 36 GLY H 1 66 ILE MG . . 4.830 3.133 2.449 4.042 . 0 0 "[ . 1 . 2]" 1
140 1 36 GLY HA2 1 37 ARG H . . 4.130 2.653 2.307 2.988 . 0 0 "[ . 1 . 2]" 1
141 1 36 GLY HA2 1 80 VAL QG . . 4.310 2.476 1.743 3.602 . 0 0 "[ . 1 . 2]" 1
142 1 36 GLY HA3 1 37 ARG H . . 3.790 2.471 2.183 2.795 . 0 0 "[ . 1 . 2]" 1
143 1 36 GLY HA3 1 80 VAL QG . . 4.920 3.773 3.112 4.570 . 0 0 "[ . 1 . 2]" 1
144 1 37 ARG H 1 80 VAL QG . . 5.240 3.346 2.216 4.059 . 0 0 "[ . 1 . 2]" 1
145 1 37 ARG HA 1 38 GLU H . . 3.700 2.510 2.093 3.559 . 0 0 "[ . 1 . 2]" 1
146 1 37 ARG HA 1 66 ILE H . . 4.420 3.416 2.473 3.900 . 0 0 "[ . 1 . 2]" 1
147 1 37 ARG HA 1 67 ASP H . . 4.640 3.344 1.790 4.213 . 0 0 "[ . 1 . 2]" 1
148 1 37 ARG HD3 1 66 ILE MD . . 4.100 3.972 3.045 4.644 0.544 13 3 "[- . 1* + . 2]" 1
149 1 37 ARG HD3 1 80 VAL QG . . 4.090 2.896 2.126 3.717 . 0 0 "[ . 1 . 2]" 1
150 1 38 GLU H 1 38 GLU HG3 . . 4.000 2.709 1.709 3.688 . 0 0 "[ . 1 . 2]" 1
151 1 38 GLU H 1 65 ASN HD22 . . 4.930 3.448 2.427 4.961 0.031 9 0 "[ . 1 . 2]" 1
152 1 38 GLU HG3 1 65 ASN HD21 . . 4.810 3.942 2.491 4.854 0.044 4 0 "[ . 1 . 2]" 1
153 1 41 HIS HA 1 43 CYS H . . 4.860 4.058 3.823 4.414 . 0 0 "[ . 1 . 2]" 1
154 1 41 HIS HA 1 44 GLU H . . 4.480 3.468 3.011 3.799 . 0 0 "[ . 1 . 2]" 1
155 1 41 HIS HA 1 44 GLU HG3 . . 4.790 3.376 2.567 4.373 . 0 0 "[ . 1 . 2]" 1
156 1 42 LEU HA 1 42 LEU MD1 . . 4.740 3.376 2.181 3.818 . 0 0 "[ . 1 . 2]" 1
157 1 42 LEU HA 1 42 LEU MD2 . . 3.070 1.841 1.773 1.920 . 0 0 "[ . 1 . 2]" 1
158 1 42 LEU HA 1 43 CYS H . . 4.940 3.498 3.462 3.522 . 0 0 "[ . 1 . 2]" 1
159 1 42 LEU HA 1 45 GLU HB3 . . 4.390 4.146 3.855 4.538 0.148 5 0 "[ . 1 . 2]" 1
160 1 42 LEU HB3 1 42 LEU MD1 . . 3.450 2.308 2.202 2.393 . 0 0 "[ . 1 . 2]" 1
161 1 42 LEU HB3 1 43 CYS H . . 5.250 3.445 2.754 3.793 . 0 0 "[ . 1 . 2]" 1
162 1 42 LEU MD1 1 42 LEU MD2 . . 2.400 2.085 2.068 2.100 . 0 0 "[ . 1 . 2]" 1
163 1 42 LEU MD1 1 43 CYS H . . 5.500 4.614 3.671 4.958 . 0 0 "[ . 1 . 2]" 1
164 1 42 LEU MD1 1 95 TYR H . . 5.500 4.662 4.095 5.462 . 0 0 "[ . 1 . 2]" 1
165 1 42 LEU MD1 1 95 TYR HA . . 4.220 2.930 2.363 4.262 0.042 11 0 "[ . 1 . 2]" 1
166 1 42 LEU MD1 1 95 TYR HB3 . . 4.440 2.776 1.812 3.518 . 0 0 "[ . 1 . 2]" 1
167 1 42 LEU MD1 1 96 PHE HZ . . 4.170 3.559 2.801 4.264 0.094 7 0 "[ . 1 . 2]" 1
168 1 42 LEU MD2 1 45 GLU HG3 . . 4.360 3.440 2.151 4.441 0.081 19 0 "[ . 1 . 2]" 1
169 1 42 LEU MD2 1 46 MET H . . 5.280 4.770 4.044 5.420 0.140 17 0 "[ . 1 . 2]" 1
170 1 42 LEU MD2 1 96 PHE HZ . . 3.900 3.177 2.670 3.874 . 0 0 "[ . 1 . 2]" 1
171 1 43 CYS H 1 44 GLU H . . 3.650 2.698 2.542 2.854 . 0 0 "[ . 1 . 2]" 1
172 1 43 CYS HA 1 44 GLU H . . 4.560 3.543 3.507 3.579 . 0 0 "[ . 1 . 2]" 1
173 1 44 GLU H 1 44 GLU HG3 . . 3.950 3.053 1.949 3.675 . 0 0 "[ . 1 . 2]" 1
174 1 44 GLU H 1 45 GLU H . . 3.790 2.604 2.346 2.766 . 0 0 "[ . 1 . 2]" 1
175 1 44 GLU H 1 45 GLU HB3 . . 5.500 6.144 5.927 6.325 0.825 2 19 "[*+***** ***-********]" 1
176 1 44 GLU HA 1 44 GLU HG3 . . 4.030 3.575 3.039 3.859 . 0 0 "[ . 1 . 2]" 1
177 1 44 GLU HA 1 45 GLU H . . 4.390 3.512 3.462 3.549 . 0 0 "[ . 1 . 2]" 1
178 1 44 GLU HA 1 47 ILE H . . 4.410 3.423 3.074 4.060 . 0 0 "[ . 1 . 2]" 1
179 1 44 GLU HA 1 47 ILE HB . . 4.050 2.705 2.238 3.164 . 0 0 "[ . 1 . 2]" 1
180 1 44 GLU HA 1 47 ILE MD . . 3.720 2.390 1.893 3.246 . 0 0 "[ . 1 . 2]" 1
181 1 44 GLU HA 1 47 ILE MG . . 4.300 3.996 3.634 4.326 0.026 5 0 "[ . 1 . 2]" 1
182 1 44 GLU HB3 1 45 GLU H . . 5.090 3.734 3.343 4.203 . 0 0 "[ . 1 . 2]" 1
183 1 44 GLU HG3 1 45 GLU H . . 4.650 4.189 2.413 4.983 0.333 17 0 "[ . 1 . 2]" 1
184 1 45 GLU H 1 45 GLU HB3 . . 3.770 3.585 3.560 3.613 . 0 0 "[ . 1 . 2]" 1
185 1 45 GLU H 1 45 GLU HG3 . . 3.750 2.679 1.990 3.730 . 0 0 "[ . 1 . 2]" 1
186 1 45 GLU H 1 46 MET H . . 3.860 2.656 2.507 2.836 . 0 0 "[ . 1 . 2]" 1
187 1 45 GLU HA 1 45 GLU HG3 . . 3.690 3.289 2.530 3.768 0.078 17 0 "[ . 1 . 2]" 1
188 1 45 GLU HA 1 46 MET H . . 4.780 3.536 3.513 3.570 . 0 0 "[ . 1 . 2]" 1
189 1 45 GLU HA 1 48 ALA H . . 4.420 3.633 3.400 3.959 . 0 0 "[ . 1 . 2]" 1
190 1 45 GLU HA 1 48 ALA MB . . 3.580 2.977 2.614 3.424 . 0 0 "[ . 1 . 2]" 1
191 1 45 GLU HB3 1 45 GLU HG3 . . 3.100 2.804 2.380 3.011 . 0 0 "[ . 1 . 2]" 1
192 1 45 GLU HB3 1 46 MET H . . 4.310 3.646 3.238 3.860 . 0 0 "[ . 1 . 2]" 1
193 1 45 GLU HG3 1 46 MET H . . 4.870 4.443 4.090 4.964 0.094 19 0 "[ . 1 . 2]" 1
194 1 46 MET H 1 46 MET ME . . 5.500 4.780 4.577 5.088 . 0 0 "[ . 1 . 2]" 1
195 1 46 MET H 1 47 ILE H . . 3.840 2.661 2.540 2.842 . 0 0 "[ . 1 . 2]" 1
196 1 46 MET HA 1 46 MET ME . . 3.920 3.679 3.126 4.097 0.177 20 0 "[ . 1 . 2]" 1
197 1 46 MET HA 1 47 ILE H . . 4.680 3.542 3.479 3.570 . 0 0 "[ . 1 . 2]" 1
198 1 46 MET HA 1 49 SER H . . 5.080 3.388 3.038 3.684 . 0 0 "[ . 1 . 2]" 1
199 1 46 MET HA 1 97 LEU HB3 . . 4.950 5.196 4.483 5.879 0.929 7 6 "[ *. + -* ** 2]" 1
200 1 46 MET ME 1 83 LEU H . . 4.830 3.883 3.059 4.908 0.078 13 0 "[ . 1 . 2]" 1
201 1 46 MET ME 1 83 LEU MD1 . . 4.210 3.429 2.188 4.337 0.127 2 0 "[ . 1 . 2]" 1
202 1 46 MET ME 1 94 HIS H . . 5.500 4.668 3.858 5.527 0.027 10 0 "[ . 1 . 2]" 1
203 1 46 MET ME 1 94 HIS HA . . 4.170 3.276 2.221 4.162 . 0 0 "[ . 1 . 2]" 1
204 1 46 MET ME 1 95 TYR H . . 4.950 3.582 2.296 4.534 . 0 0 "[ . 1 . 2]" 1
205 1 46 MET ME 1 96 PHE H . . 4.810 3.821 2.792 4.617 . 0 0 "[ . 1 . 2]" 1
206 1 46 MET ME 1 96 PHE HA . . 5.350 4.234 2.966 5.163 . 0 0 "[ . 1 . 2]" 1
207 1 46 MET ME 1 97 LEU H . . 4.690 4.021 2.941 4.800 0.110 9 0 "[ . 1 . 2]" 1
208 1 46 MET ME 1 97 LEU HA . . 3.570 2.804 1.777 3.406 . 0 0 "[ . 1 . 2]" 1
209 1 46 MET ME 1 97 LEU MD1 . . 3.280 2.367 1.967 2.880 . 0 0 "[ . 1 . 2]" 1
210 1 46 MET ME 1 98 ASP H . . 4.890 4.362 3.345 4.920 0.030 17 0 "[ . 1 . 2]" 1
211 1 47 ILE H 1 47 ILE HB . . 3.760 2.499 2.425 2.568 . 0 0 "[ . 1 . 2]" 1
212 1 47 ILE H 1 47 ILE MD . . 4.210 3.608 3.545 3.723 . 0 0 "[ . 1 . 2]" 1
213 1 47 ILE H 1 47 ILE HG13 . . 4.140 2.195 2.062 2.377 . 0 0 "[ . 1 . 2]" 1
214 1 47 ILE H 1 47 ILE MG . . 4.070 3.770 3.750 3.784 . 0 0 "[ . 1 . 2]" 1
215 1 47 ILE HA 1 47 ILE MD . . 3.880 3.806 3.766 3.833 . 0 0 "[ . 1 . 2]" 1
216 1 47 ILE HA 1 47 ILE MG . . 3.470 2.468 2.420 2.542 . 0 0 "[ . 1 . 2]" 1
217 1 47 ILE HA 1 48 ALA H . . 5.500 3.562 3.539 3.578 . 0 0 "[ . 1 . 2]" 1
218 1 47 ILE HA 1 50 LEU H . . 4.550 3.430 3.233 3.559 . 0 0 "[ . 1 . 2]" 1
219 1 47 ILE HA 1 50 LEU HB3 . . 4.620 4.324 4.038 4.631 0.011 5 0 "[ . 1 . 2]" 1
220 1 47 ILE HA 1 51 ARG H . . 5.440 4.134 3.894 4.463 . 0 0 "[ . 1 . 2]" 1
221 1 47 ILE HB 1 48 ALA H . . 4.080 2.511 2.358 2.661 . 0 0 "[ . 1 . 2]" 1
222 1 47 ILE MD 1 48 ALA H . . 5.030 4.538 4.382 4.706 . 0 0 "[ . 1 . 2]" 1
223 1 47 ILE HG13 1 48 ALA H . . 5.030 4.318 4.196 4.482 . 0 0 "[ . 1 . 2]" 1
224 1 47 ILE MG 1 48 ALA H . . 4.860 3.173 3.113 3.222 . 0 0 "[ . 1 . 2]" 1
225 1 47 ILE MG 1 48 ALA HA . . 4.040 3.237 3.167 3.303 . 0 0 "[ . 1 . 2]" 1
226 1 47 ILE MG 1 48 ALA MB . . 3.860 3.875 3.825 3.915 0.055 15 0 "[ . 1 . 2]" 1
227 1 47 ILE MG 1 50 LEU H . . 5.360 4.629 4.444 4.735 . 0 0 "[ . 1 . 2]" 1
228 1 47 ILE MG 1 51 ARG H . . 4.870 3.999 3.740 4.274 . 0 0 "[ . 1 . 2]" 1
229 1 47 ILE MG 1 51 ARG HD3 . . 4.260 3.142 2.685 3.585 . 0 0 "[ . 1 . 2]" 1
230 1 47 ILE MG 1 51 ARG HG3 . . 4.830 3.003 2.396 3.525 . 0 0 "[ . 1 . 2]" 1
231 1 48 ALA H 1 48 ALA MB . . 3.270 2.234 2.221 2.244 . 0 0 "[ . 1 . 2]" 1
232 1 48 ALA H 1 49 SER H . . 3.610 2.708 2.628 2.772 . 0 0 "[ . 1 . 2]" 1
233 1 48 ALA HA 1 49 SER H . . 4.400 3.525 3.487 3.549 . 0 0 "[ . 1 . 2]" 1
234 1 48 ALA HA 1 51 ARG H . . 4.700 3.498 3.306 3.656 . 0 0 "[ . 1 . 2]" 1
235 1 48 ALA HA 1 52 VAL MG2 . . 4.340 4.223 3.795 4.369 0.029 16 0 "[ . 1 . 2]" 1
236 1 48 ALA MB 1 49 SER H . . 3.680 2.550 2.454 2.748 . 0 0 "[ . 1 . 2]" 1
237 1 48 ALA MB 1 49 SER HA . . 4.490 3.861 3.829 3.910 . 0 0 "[ . 1 . 2]" 1
238 1 48 ALA MB 1 50 LEU H . . 4.750 4.567 4.484 4.727 . 0 0 "[ . 1 . 2]" 1
239 1 48 ALA MB 1 51 ARG H . . 5.220 4.624 4.491 4.776 . 0 0 "[ . 1 . 2]" 1
240 1 48 ALA MB 1 52 VAL MG2 . . 4.050 3.850 3.377 4.109 0.059 19 0 "[ . 1 . 2]" 1
241 1 49 SER H 1 49 SER HB3 . . 4.240 3.577 3.571 3.589 . 0 0 "[ . 1 . 2]" 1
242 1 49 SER H 1 50 LEU H . . 3.570 2.664 2.547 2.843 . 0 0 "[ . 1 . 2]" 1
243 1 49 SER H 1 97 LEU MD2 . . 5.130 4.585 4.343 5.018 . 0 0 "[ . 1 . 2]" 1
244 1 49 SER HA 1 50 LEU H . . 5.290 3.542 3.523 3.559 . 0 0 "[ . 1 . 2]" 1
245 1 49 SER HA 1 52 VAL H . . 4.550 3.675 3.478 3.857 . 0 0 "[ . 1 . 2]" 1
246 1 49 SER HA 1 52 VAL HB . . 4.180 3.352 2.928 3.702 . 0 0 "[ . 1 . 2]" 1
247 1 49 SER HA 1 52 VAL MG2 . . 3.610 3.227 2.881 3.536 . 0 0 "[ . 1 . 2]" 1
248 1 49 SER HA 1 53 LEU H . . 5.500 4.499 4.165 5.054 . 0 0 "[ . 1 . 2]" 1
249 1 49 SER HB3 1 50 LEU H . . 4.940 3.640 3.485 3.744 . 0 0 "[ . 1 . 2]" 1
250 1 49 SER HB3 1 97 LEU MD1 . . 3.880 3.954 3.914 4.005 0.125 3 0 "[ . 1 . 2]" 1
251 1 49 SER HB3 1 97 LEU MD2 . . 3.740 1.982 1.814 2.176 . 0 0 "[ . 1 . 2]" 1
252 1 50 LEU H 1 50 LEU HG . . 4.040 2.720 2.159 4.096 0.056 9 0 "[ . 1 . 2]" 1
253 1 50 LEU H 1 51 ARG H . . 3.810 2.627 2.537 2.751 . 0 0 "[ . 1 . 2]" 1
254 1 50 LEU H 1 52 VAL H . . 4.830 4.235 4.130 4.389 . 0 0 "[ . 1 . 2]" 1
255 1 50 LEU H 1 97 LEU MD2 . . 4.710 4.062 3.437 4.542 . 0 0 "[ . 1 . 2]" 1
256 1 50 LEU HA 1 50 LEU HG . . 3.900 3.143 2.432 3.670 . 0 0 "[ . 1 . 2]" 1
257 1 50 LEU HA 1 51 ARG H . . 5.000 3.522 3.503 3.546 . 0 0 "[ . 1 . 2]" 1
258 1 50 LEU HA 1 52 VAL H . . 4.440 4.261 4.018 4.453 0.013 12 0 "[ . 1 . 2]" 1
259 1 50 LEU HA 1 53 LEU HB3 . . 3.610 3.575 3.069 4.081 0.471 3 0 "[ . 1 . 2]" 1
260 1 50 LEU HA 1 97 LEU MD2 . . 4.360 3.964 2.919 4.401 0.041 12 0 "[ . 1 . 2]" 1
261 1 50 LEU HB3 1 51 ARG H . . 5.500 3.654 3.349 3.832 . 0 0 "[ . 1 . 2]" 1
262 1 50 LEU HB3 1 59 PHE HZ . . 4.600 2.669 1.883 3.432 . 0 0 "[ . 1 . 2]" 1
263 1 50 LEU HB3 1 61 LEU MD2 . . 4.090 2.825 2.057 3.159 . 0 0 "[ . 1 . 2]" 1
264 1 50 LEU HG 1 61 LEU MD1 . . 4.880 4.246 2.952 4.903 0.023 16 0 "[ . 1 . 2]" 1
265 1 50 LEU HG 1 61 LEU MD2 . . 4.170 4.189 3.954 4.272 0.102 12 0 "[ . 1 . 2]" 1
266 1 51 ARG H 1 51 ARG HD3 . . 4.700 4.398 3.478 4.738 0.038 6 0 "[ . 1 . 2]" 1
267 1 51 ARG H 1 51 ARG HG3 . . 4.200 3.533 2.603 3.812 . 0 0 "[ . 1 . 2]" 1
268 1 51 ARG H 1 52 VAL H . . 3.770 2.709 2.636 2.815 . 0 0 "[ . 1 . 2]" 1
269 1 51 ARG H 1 52 VAL MG2 . . 5.500 4.134 4.010 4.268 . 0 0 "[ . 1 . 2]" 1
270 1 51 ARG H 1 53 LEU H . . 4.550 4.165 4.010 4.405 . 0 0 "[ . 1 . 2]" 1
271 1 51 ARG H 1 61 LEU MD2 . . 4.730 3.912 3.534 4.509 . 0 0 "[ . 1 . 2]" 1
272 1 51 ARG HA 1 51 ARG HD3 . . 3.980 3.636 3.121 4.322 0.342 20 0 "[ . 1 . 2]" 1
273 1 51 ARG HA 1 51 ARG HG3 . . 4.190 3.715 3.515 3.780 . 0 0 "[ . 1 . 2]" 1
274 1 51 ARG HA 1 52 VAL H . . 4.320 3.525 3.483 3.548 . 0 0 "[ . 1 . 2]" 1
275 1 51 ARG HA 1 54 GLN H . . 4.610 3.479 3.133 3.644 . 0 0 "[ . 1 . 2]" 1
276 1 51 ARG HA 1 54 GLN HB3 . . 4.220 3.742 2.227 4.310 0.090 14 0 "[ . 1 . 2]" 1
277 1 51 ARG HA 1 61 LEU MD2 . . 4.330 3.849 3.152 4.395 0.065 13 0 "[ . 1 . 2]" 1
278 1 51 ARG HD3 1 61 LEU MD2 . . 4.260 2.935 2.083 4.341 0.081 20 0 "[ . 1 . 2]" 1
279 1 51 ARG HG3 1 52 VAL H . . 4.890 4.896 4.519 4.954 0.064 11 0 "[ . 1 . 2]" 1
280 1 51 ARG HG3 1 61 LEU MD2 . . 4.970 4.333 3.835 4.997 0.027 16 0 "[ . 1 . 2]" 1
281 1 52 VAL H 1 52 VAL HB . . 3.630 2.529 2.490 2.572 . 0 0 "[ . 1 . 2]" 1
282 1 52 VAL H 1 52 VAL MG1 . . 4.250 3.777 3.765 3.790 . 0 0 "[ . 1 . 2]" 1
283 1 52 VAL H 1 52 VAL MG2 . . 3.440 2.131 2.026 2.217 . 0 0 "[ . 1 . 2]" 1
284 1 52 VAL H 1 53 LEU H . . 3.430 2.610 2.449 2.704 . 0 0 "[ . 1 . 2]" 1
285 1 52 VAL H 1 54 GLN H . . 4.120 3.934 3.666 4.032 . 0 0 "[ . 1 . 2]" 1
286 1 52 VAL H 1 55 LYS HG3 . . 5.090 4.854 4.678 5.093 0.003 14 0 "[ . 1 . 2]" 1
287 1 52 VAL HA 1 52 VAL MG1 . . 3.190 2.408 2.371 2.441 . 0 0 "[ . 1 . 2]" 1
288 1 52 VAL HA 1 52 VAL MG2 . . 2.910 2.363 2.316 2.404 . 0 0 "[ . 1 . 2]" 1
289 1 52 VAL HA 1 53 LEU H . . 4.630 3.544 3.511 3.561 . 0 0 "[ . 1 . 2]" 1
290 1 52 VAL HA 1 55 LYS H . . 4.480 3.649 3.467 3.866 . 0 0 "[ . 1 . 2]" 1
291 1 52 VAL HA 1 55 LYS HB3 . . 4.590 4.964 4.619 5.281 0.691 6 5 "[* .+ * 1 *. - 2]" 1
292 1 52 VAL HA 1 55 LYS HG3 . . 4.490 2.711 2.462 3.204 . 0 0 "[ . 1 . 2]" 1
293 1 52 VAL HB 1 53 LEU H . . 4.060 2.643 2.550 2.831 . 0 0 "[ . 1 . 2]" 1
294 1 52 VAL MG1 1 52 VAL MG2 . . 2.520 2.086 2.076 2.092 . 0 0 "[ . 1 . 2]" 1
295 1 52 VAL MG1 1 53 LEU H . . 4.390 3.463 3.321 3.635 . 0 0 "[ . 1 . 2]" 1
296 1 52 VAL MG1 1 53 LEU HA . . 3.710 3.480 3.325 3.628 . 0 0 "[ . 1 . 2]" 1
297 1 52 VAL MG2 1 53 LEU H . . 4.240 3.836 3.790 3.887 . 0 0 "[ . 1 . 2]" 1
298 1 53 LEU H 1 53 LEU HB3 . . 4.230 3.254 2.931 3.532 . 0 0 "[ . 1 . 2]" 1
299 1 53 LEU H 1 53 LEU QD . . 4.580 3.606 3.367 3.766 . 0 0 "[ . 1 . 2]" 1
300 1 53 LEU H 1 53 LEU HG . . 4.060 3.554 2.880 4.119 0.059 16 0 "[ . 1 . 2]" 1
301 1 53 LEU H 1 54 GLN H . . 3.700 2.569 2.353 2.677 . 0 0 "[ . 1 . 2]" 1
302 1 53 LEU HA 1 53 LEU QD . . 3.120 1.984 1.777 2.435 . 0 0 "[ . 1 . 2]" 1
303 1 53 LEU HA 1 53 LEU HG . . 4.010 2.674 2.445 2.893 . 0 0 "[ . 1 . 2]" 1
304 1 53 LEU HA 1 54 GLN H . . 4.500 3.500 3.445 3.523 . 0 0 "[ . 1 . 2]" 1
305 1 53 LEU HA 1 56 LYS H . . 4.330 3.367 3.219 3.588 . 0 0 "[ . 1 . 2]" 1
306 1 53 LEU HB3 1 53 LEU QD . . 3.270 2.114 2.096 2.138 . 0 0 "[ . 1 . 2]" 1
307 1 53 LEU QD 1 54 GLN H . . 5.180 4.063 3.800 4.214 . 0 0 "[ . 1 . 2]" 1
308 1 53 LEU QD 1 57 SER H . . 5.360 3.453 2.847 3.998 . 0 0 "[ . 1 . 2]" 1
309 1 53 LEU QD 1 57 SER HB3 . . 4.520 4.439 3.823 4.839 0.319 7 0 "[ . 1 . 2]" 1
310 1 53 LEU QD 1 59 PHE HZ . . 4.750 3.368 2.900 4.194 . 0 0 "[ . 1 . 2]" 1
311 1 53 LEU QD 1 99 SER HB3 . . 4.290 4.041 3.362 4.354 0.064 2 0 "[ . 1 . 2]" 1
312 1 53 LEU QD 1 103 GLY HA2 . . 4.650 4.011 2.992 4.542 . 0 0 "[ . 1 . 2]" 1
313 1 54 GLN H 1 54 GLN HB3 . . 3.620 3.312 2.630 3.587 . 0 0 "[ . 1 . 2]" 1
314 1 54 GLN H 1 54 GLN HG3 . . 4.600 3.142 2.269 4.329 . 0 0 "[ . 1 . 2]" 1
315 1 54 GLN H 1 55 LYS H . . 3.930 2.686 2.580 2.788 . 0 0 "[ . 1 . 2]" 1
316 1 54 GLN H 1 59 PHE HZ . . 5.350 3.216 2.648 3.561 . 0 0 "[ . 1 . 2]" 1
317 1 54 GLN HA 1 54 GLN HG3 . . 4.390 2.700 2.463 3.025 . 0 0 "[ . 1 . 2]" 1
318 1 54 GLN HA 1 55 LYS H . . 4.680 3.451 3.432 3.492 . 0 0 "[ . 1 . 2]" 1
319 1 54 GLN HA 1 56 LYS H . . 4.780 3.838 3.620 4.090 . 0 0 "[ . 1 . 2]" 1
320 1 54 GLN HA 1 57 SER H . . 4.880 3.288 3.138 3.595 . 0 0 "[ . 1 . 2]" 1
321 1 54 GLN HA 1 59 PHE H . . 5.100 3.574 3.228 4.117 . 0 0 "[ . 1 . 2]" 1
322 1 54 GLN HB3 1 55 LYS H . . 4.730 3.481 2.804 3.950 . 0 0 "[ . 1 . 2]" 1
323 1 54 GLN HE21 1 59 PHE H . . 4.910 3.812 2.888 4.814 . 0 0 "[ . 1 . 2]" 1
324 1 54 GLN HE21 1 60 GLU HA . . 5.000 3.585 2.366 4.391 . 0 0 "[ . 1 . 2]" 1
325 1 54 GLN HE21 1 61 LEU H . . 4.350 4.242 3.683 4.449 0.099 3 0 "[ . 1 . 2]" 1
326 1 54 GLN HE22 1 60 GLU HA . . 4.820 3.839 2.978 4.365 . 0 0 "[ . 1 . 2]" 1
327 1 54 GLN HE22 1 61 LEU H . . 4.300 3.923 3.460 4.299 . 0 0 "[ . 1 . 2]" 1
328 1 54 GLN HE22 1 61 LEU HA . . 5.500 4.234 3.845 4.997 . 0 0 "[ . 1 . 2]" 1
329 1 54 GLN HE22 1 61 LEU MD1 . . 5.450 4.105 3.472 4.979 . 0 0 "[ . 1 . 2]" 1
330 1 54 GLN HG3 1 59 PHE H . . 4.390 3.447 2.381 4.415 0.025 5 0 "[ . 1 . 2]" 1
331 1 55 LYS H 1 55 LYS HB3 . . 4.050 3.598 3.556 3.630 . 0 0 "[ . 1 . 2]" 1
332 1 55 LYS H 1 55 LYS HG3 . . 4.160 2.331 2.196 2.575 . 0 0 "[ . 1 . 2]" 1
333 1 55 LYS H 1 56 LYS H . . 3.520 2.456 2.369 2.606 . 0 0 "[ . 1 . 2]" 1
334 1 55 LYS H 1 57 SER H . . 4.180 3.985 3.881 4.122 . 0 0 "[ . 1 . 2]" 1
335 1 55 LYS HA 1 55 LYS HG3 . . 3.820 3.229 2.930 3.369 . 0 0 "[ . 1 . 2]" 1
336 1 55 LYS HA 1 56 LYS H . . 4.350 3.413 3.346 3.508 . 0 0 "[ . 1 . 2]" 1
337 1 55 LYS HA 1 57 SER H . . 4.720 4.760 4.630 4.798 0.078 18 0 "[ . 1 . 2]" 1
338 1 55 LYS HB3 1 56 LYS H . . 4.390 4.031 3.607 4.190 . 0 0 "[ . 1 . 2]" 1
339 1 56 LYS H 1 56 LYS HG3 . . 4.520 3.142 1.975 4.109 . 0 0 "[ . 1 . 2]" 1
340 1 56 LYS H 1 57 SER H . . 3.080 2.136 2.004 2.382 . 0 0 "[ . 1 . 2]" 1
341 1 56 LYS HA 1 56 LYS HG3 . . 4.000 2.742 2.347 3.277 . 0 0 "[ . 1 . 2]" 1
342 1 56 LYS HA 1 57 SER H . . 4.460 3.516 3.501 3.536 . 0 0 "[ . 1 . 2]" 1
343 1 57 SER H 1 57 SER HB3 . . 3.970 3.865 3.810 3.906 . 0 0 "[ . 1 . 2]" 1
344 1 57 SER HA 1 58 TRP H . . 3.590 2.175 2.149 2.205 . 0 0 "[ . 1 . 2]" 1
345 1 57 SER HB3 1 58 TRP H . . 5.420 3.514 3.164 3.821 . 0 0 "[ . 1 . 2]" 1
346 1 57 SER HB3 1 106 LEU HB3 . . 4.780 3.341 2.418 3.764 . 0 0 "[ . 1 . 2]" 1
347 1 57 SER HB3 1 106 LEU HG . . 4.280 3.999 3.325 4.417 0.137 14 0 "[ . 1 . 2]" 1
348 1 58 TRP H 1 58 TRP HB3 . . 4.330 2.602 2.561 2.683 . 0 0 "[ . 1 . 2]" 1
349 1 58 TRP H 1 58 TRP HE3 . . 4.610 4.637 4.597 4.675 0.065 11 0 "[ . 1 . 2]" 1
350 1 58 TRP H 1 59 PHE H . . 4.940 4.489 4.314 4.568 . 0 0 "[ . 1 . 2]" 1
351 1 58 TRP HA 1 58 TRP HE3 . . 3.930 2.914 2.749 3.071 . 0 0 "[ . 1 . 2]" 1
352 1 58 TRP HA 1 59 PHE H . . 3.630 2.127 2.087 2.184 . 0 0 "[ . 1 . 2]" 1
353 1 58 TRP HB3 1 58 TRP HD1 . . 4.080 2.636 2.614 2.668 . 0 0 "[ . 1 . 2]" 1
354 1 58 TRP HD1 1 60 GLU HB3 . . 5.210 5.914 5.811 6.386 1.176 6 20 [*****+********-*****] 1
355 1 58 TRP HE1 1 60 GLU HA . . 5.410 3.113 2.791 4.537 . 0 0 "[ . 1 . 2]" 1
356 1 58 TRP HE1 1 60 GLU HB3 . . 5.070 4.398 4.209 5.065 . 0 0 "[ . 1 . 2]" 1
357 1 58 TRP HE1 1 60 GLU HG3 . . 4.410 3.448 2.647 3.636 . 0 0 "[ . 1 . 2]" 1
358 1 58 TRP HE3 1 59 PHE H . . 4.490 4.403 4.168 4.542 0.052 6 0 "[ . 1 . 2]" 1
359 1 58 TRP HZ2 1 60 GLU HG3 . . 4.190 5.397 4.250 5.651 1.461 15 19 "[-**** ********+*****]" 1
360 1 59 PHE H 1 60 GLU H . . 4.790 2.086 1.895 2.304 . 0 0 "[ . 1 . 2]" 1
361 1 59 PHE HA 1 60 GLU H . . 3.850 3.042 2.977 3.149 . 0 0 "[ . 1 . 2]" 1
362 1 59 PHE HA 1 60 GLU HG3 . . 4.380 4.846 4.065 5.089 0.709 5 15 "[ ** + ****** *.-****]" 1
363 1 59 PHE HB3 1 60 GLU H . . 4.570 4.603 4.489 4.637 0.067 10 0 "[ . 1 . 2]" 1
364 1 60 GLU H 1 60 GLU HB3 . . 4.020 4.073 4.048 4.094 0.074 7 0 "[ . 1 . 2]" 1
365 1 60 GLU H 1 60 GLU HG3 . . 4.200 4.056 3.260 4.313 0.113 3 0 "[ . 1 . 2]" 1
366 1 60 GLU HA 1 60 GLU HG3 . . 3.750 3.661 3.349 3.775 0.025 20 0 "[ . 1 . 2]" 1
367 1 60 GLU HA 1 61 LEU H . . 3.480 2.583 2.490 2.730 . 0 0 "[ . 1 . 2]" 1
368 1 60 GLU HB3 1 61 LEU H . . 4.980 2.058 1.915 2.179 . 0 0 "[ . 1 . 2]" 1
369 1 60 GLU HG3 1 61 LEU H . . 4.560 4.616 4.489 4.723 0.163 1 0 "[ . 1 . 2]" 1
370 1 61 LEU H 1 61 LEU MD1 . . 4.720 4.198 4.154 4.270 . 0 0 "[ . 1 . 2]" 1
371 1 61 LEU H 1 61 LEU MD2 . . 4.890 4.667 4.007 4.880 . 0 0 "[ . 1 . 2]" 1
372 1 61 LEU H 1 61 LEU HG . . 5.500 4.862 4.755 5.165 . 0 0 "[ . 1 . 2]" 1
373 1 61 LEU HA 1 61 LEU MD1 . . 3.400 1.847 1.784 1.924 . 0 0 "[ . 1 . 2]" 1
374 1 61 LEU HA 1 61 LEU MD2 . . 4.490 3.426 2.391 3.723 . 0 0 "[ . 1 . 2]" 1
375 1 61 LEU HA 1 62 GLU H . . 3.700 2.133 2.094 2.190 . 0 0 "[ . 1 . 2]" 1
376 1 61 LEU HB3 1 61 LEU MD1 . . 3.430 3.053 2.542 3.186 . 0 0 "[ . 1 . 2]" 1
377 1 61 LEU HB3 1 61 LEU MD2 . . 3.500 2.636 2.455 3.165 . 0 0 "[ . 1 . 2]" 1
378 1 61 LEU MD1 1 62 GLU H . . 4.050 2.266 1.866 2.520 . 0 0 "[ . 1 . 2]" 1
379 1 61 LEU MD2 1 62 GLU H . . 5.500 4.642 3.917 4.921 . 0 0 "[ . 1 . 2]" 1
380 1 61 LEU HG 1 62 GLU H . . 5.040 3.940 3.114 4.990 . 0 0 "[ . 1 . 2]" 1
381 1 62 GLU H 1 62 GLU HB3 . . 4.270 2.756 2.600 3.051 . 0 0 "[ . 1 . 2]" 1
382 1 62 GLU HA 1 62 GLU HG3 . . 4.080 2.511 2.215 3.089 . 0 0 "[ . 1 . 2]" 1
383 1 62 GLU HA 1 63 VAL H . . 3.380 2.164 2.116 2.253 . 0 0 "[ . 1 . 2]" 1
384 1 62 GLU HA 1 63 VAL MG2 . . 3.880 3.566 3.426 3.668 . 0 0 "[ . 1 . 2]" 1
385 1 62 GLU HB3 1 63 VAL H . . 4.350 4.065 3.583 4.269 . 0 0 "[ . 1 . 2]" 1
386 1 62 GLU HB3 1 64 ILE MD . . 4.660 3.862 3.720 4.042 . 0 0 "[ . 1 . 2]" 1
387 1 62 GLU HG3 1 63 VAL H . . 4.160 2.972 2.270 3.413 . 0 0 "[ . 1 . 2]" 1
388 1 62 GLU HG3 1 64 ILE MD . . 3.890 3.607 2.908 3.918 0.028 1 0 "[ . 1 . 2]" 1
389 1 62 GLU HG3 1 64 ILE HG13 . . 4.440 3.357 2.012 4.072 . 0 0 "[ . 1 . 2]" 1
390 1 63 VAL H 1 63 VAL HB . . 3.690 2.656 2.584 2.765 . 0 0 "[ . 1 . 2]" 1
391 1 63 VAL H 1 63 VAL MG1 . . 4.120 3.860 3.832 3.907 . 0 0 "[ . 1 . 2]" 1
392 1 63 VAL H 1 63 VAL MG2 . . 3.950 2.606 2.445 2.815 . 0 0 "[ . 1 . 2]" 1
393 1 63 VAL HA 1 63 VAL MG1 . . 3.400 2.375 2.352 2.400 . 0 0 "[ . 1 . 2]" 1
394 1 63 VAL HA 1 63 VAL MG2 . . 3.440 2.421 2.401 2.437 . 0 0 "[ . 1 . 2]" 1
395 1 63 VAL HA 1 64 ILE H . . 3.610 2.144 2.130 2.164 . 0 0 "[ . 1 . 2]" 1
396 1 63 VAL HB 1 64 ILE H . . 5.490 4.278 4.168 4.346 . 0 0 "[ . 1 . 2]" 1
397 1 63 VAL MG1 1 64 ILE H . . 4.140 2.932 2.706 3.091 . 0 0 "[ . 1 . 2]" 1
398 1 63 VAL MG1 1 64 ILE HA . . 4.590 3.789 3.536 3.928 . 0 0 "[ . 1 . 2]" 1
399 1 63 VAL MG1 1 65 ASN H . . 4.980 4.014 3.721 4.412 . 0 0 "[ . 1 . 2]" 1
400 1 63 VAL MG1 1 65 ASN HD22 . . 5.230 4.391 3.364 5.121 . 0 0 "[ . 1 . 2]" 1
401 1 63 VAL MG2 1 64 ILE H . . 5.020 4.148 4.081 4.195 . 0 0 "[ . 1 . 2]" 1
402 1 64 ILE H 1 64 ILE HB . . 4.260 2.651 2.558 2.770 . 0 0 "[ . 1 . 2]" 1
403 1 64 ILE H 1 64 ILE MD . . 4.350 4.034 3.931 4.242 . 0 0 "[ . 1 . 2]" 1
404 1 64 ILE H 1 64 ILE HG13 . . 4.830 2.806 2.610 3.103 . 0 0 "[ . 1 . 2]" 1
405 1 64 ILE HA 1 64 ILE MD . . 3.720 3.809 3.779 3.836 0.116 8 0 "[ . 1 . 2]" 1
406 1 64 ILE HA 1 64 ILE HG13 . . 4.510 3.007 2.975 3.090 . 0 0 "[ . 1 . 2]" 1
407 1 64 ILE HA 1 64 ILE MG . . 3.490 2.399 2.357 2.423 . 0 0 "[ . 1 . 2]" 1
408 1 64 ILE HA 1 65 ASN H . . 3.580 2.133 2.092 2.178 . 0 0 "[ . 1 . 2]" 1
409 1 64 ILE HB 1 64 ILE MD . . 3.360 2.427 2.375 2.468 . 0 0 "[ . 1 . 2]" 1
410 1 64 ILE HB 1 65 ASN H . . 5.500 4.303 4.156 4.407 . 0 0 "[ . 1 . 2]" 1
411 1 64 ILE MD 1 64 ILE MG . . 2.770 1.964 1.931 2.018 . 0 0 "[ . 1 . 2]" 1
412 1 64 ILE HG13 1 65 ASN H . . 5.270 5.060 4.981 5.122 . 0 0 "[ . 1 . 2]" 1
413 1 64 ILE MG 1 65 ASN H . . 4.240 2.921 2.596 3.138 . 0 0 "[ . 1 . 2]" 1
414 1 65 ASN H 1 65 ASN HB3 . . 4.190 3.560 3.133 3.624 . 0 0 "[ . 1 . 2]" 1
415 1 65 ASN H 1 65 ASN HD21 . . 5.120 4.316 2.457 4.799 . 0 0 "[ . 1 . 2]" 1
416 1 65 ASN H 1 65 ASN HD22 . . 4.870 4.730 3.877 5.025 0.155 10 0 "[ . 1 . 2]" 1
417 1 65 ASN HA 1 66 ILE H . . 3.840 2.141 2.114 2.197 . 0 0 "[ . 1 . 2]" 1
418 1 65 ASN HA 1 66 ILE MG . . 4.580 3.725 3.515 3.957 . 0 0 "[ . 1 . 2]" 1
419 1 65 ASN HA 1 67 ASP H . . 4.610 3.477 3.100 4.045 . 0 0 "[ . 1 . 2]" 1
420 1 65 ASN HB3 1 66 ILE H . . 5.500 3.517 3.158 3.747 . 0 0 "[ . 1 . 2]" 1
421 1 66 ILE H 1 66 ILE MD . . 4.870 3.751 3.512 3.898 . 0 0 "[ . 1 . 2]" 1
422 1 66 ILE H 1 66 ILE HG13 . . 4.540 3.037 1.904 3.399 . 0 0 "[ . 1 . 2]" 1
423 1 66 ILE H 1 66 ILE MG . . 4.130 2.254 2.008 2.388 . 0 0 "[ . 1 . 2]" 1
424 1 66 ILE H 1 67 ASP H . . 3.810 2.420 2.252 2.665 . 0 0 "[ . 1 . 2]" 1
425 1 66 ILE HA 1 66 ILE MD . . 4.500 4.146 3.735 4.194 . 0 0 "[ . 1 . 2]" 1
426 1 66 ILE HA 1 66 ILE MG . . 3.560 2.376 2.266 2.452 . 0 0 "[ . 1 . 2]" 1
427 1 66 ILE HA 1 67 ASP H . . 4.500 3.388 3.254 3.526 . 0 0 "[ . 1 . 2]" 1
428 1 66 ILE HA 1 72 LEU MD1 . . 4.080 2.675 2.323 3.301 . 0 0 "[ . 1 . 2]" 1
429 1 66 ILE HA 1 73 THR H . . 5.370 4.840 4.385 5.408 0.038 16 0 "[ . 1 . 2]" 1
430 1 66 ILE HB 1 66 ILE MD . . 3.700 2.365 2.265 2.445 . 0 0 "[ . 1 . 2]" 1
431 1 66 ILE HB 1 72 LEU MD1 . . 4.730 3.508 2.955 4.364 . 0 0 "[ . 1 . 2]" 1
432 1 66 ILE HB 1 72 LEU MD2 . . 5.110 4.431 3.991 5.131 0.021 9 0 "[ . 1 . 2]" 1
433 1 66 ILE MD 1 66 ILE MG . . 3.060 2.060 1.897 3.095 0.035 20 0 "[ . 1 . 2]" 1
434 1 66 ILE MD 1 73 THR H . . 5.400 3.950 3.572 4.747 . 0 0 "[ . 1 . 2]" 1
435 1 66 ILE MD 1 73 THR HA . . 3.450 2.009 1.749 2.504 . 0 0 "[ . 1 . 2]" 1
436 1 66 ILE MD 1 73 THR MG . . 3.490 3.212 2.306 3.526 0.036 3 0 "[ . 1 . 2]" 1
437 1 66 ILE MD 1 76 TYR H . . 4.760 3.351 2.820 3.863 . 0 0 "[ . 1 . 2]" 1
438 1 66 ILE MD 1 76 TYR HB3 . . 4.240 3.177 2.682 3.869 . 0 0 "[ . 1 . 2]" 1
439 1 66 ILE MD 1 77 ASN H . . 4.520 3.082 1.866 3.859 . 0 0 "[ . 1 . 2]" 1
440 1 66 ILE MD 1 77 ASN HA . . 3.420 2.540 2.005 3.282 . 0 0 "[ . 1 . 2]" 1
441 1 66 ILE HG13 1 66 ILE MG . . 3.680 3.173 2.728 3.210 . 0 0 "[ . 1 . 2]" 1
442 1 66 ILE HG13 1 67 ASP H . . 4.530 2.682 1.759 3.314 . 0 0 "[ . 1 . 2]" 1
443 1 66 ILE MG 1 67 ASP H . . 4.810 3.988 3.645 4.151 . 0 0 "[ . 1 . 2]" 1
444 1 66 ILE MG 1 72 LEU HG . . 4.250 4.249 4.096 4.370 0.120 4 0 "[ . 1 . 2]" 1
445 1 66 ILE MG 1 76 TYR HB3 . . 4.920 3.872 2.950 4.736 . 0 0 "[ . 1 . 2]" 1
446 1 67 ASP HA 1 73 THR MG . . 4.640 3.904 2.796 4.724 0.084 16 0 "[ . 1 . 2]" 1
447 1 69 ASN HA 1 71 HIS H . . 4.350 3.784 3.375 4.128 . 0 0 "[ . 1 . 2]" 1
448 1 69 ASN HB3 1 71 HIS H . . 4.720 3.596 3.159 4.082 . 0 0 "[ . 1 . 2]" 1
449 1 69 ASN HB3 1 72 LEU H . . 4.820 2.749 2.464 3.054 . 0 0 "[ . 1 . 2]" 1
450 1 69 ASN HB3 1 72 LEU MD1 . . 4.460 3.009 2.542 3.755 . 0 0 "[ . 1 . 2]" 1
451 1 69 ASN HB3 1 73 THR H . . 4.990 4.021 3.082 4.678 . 0 0 "[ . 1 . 2]" 1
452 1 69 ASN HD21 1 72 LEU MD1 . . 5.180 3.054 1.770 5.222 0.042 17 0 "[ . 1 . 2]" 1
453 1 69 ASN HD21 1 72 LEU HG . . 5.430 4.303 2.863 5.310 . 0 0 "[ . 1 . 2]" 1
454 1 69 ASN HD22 1 72 LEU MD1 . . 5.190 3.791 2.912 5.067 . 0 0 "[ . 1 . 2]" 1
455 1 69 ASN HD22 1 72 LEU HG . . 5.500 4.859 3.209 5.555 0.055 14 0 "[ . 1 . 2]" 1
456 1 70 GLU HA 1 71 HIS H . . 5.460 3.516 3.453 3.564 . 0 0 "[ . 1 . 2]" 1
457 1 70 GLU HA 1 73 THR H . . 4.730 3.498 2.870 4.214 . 0 0 "[ . 1 . 2]" 1
458 1 70 GLU HA 1 73 THR HB . . 3.950 2.671 1.809 3.308 . 0 0 "[ . 1 . 2]" 1
459 1 70 GLU HA 1 73 THR MG . . 4.490 3.915 3.312 4.543 0.053 17 0 "[ . 1 . 2]" 1
460 1 70 GLU HA 1 74 ARG H . . 4.750 4.099 3.277 4.784 0.034 11 0 "[ . 1 . 2]" 1
461 1 70 GLU HB3 1 71 HIS H . . 4.990 3.323 2.458 4.018 . 0 0 "[ . 1 . 2]" 1
462 1 71 HIS H 1 71 HIS HB3 . . 3.870 3.237 2.449 3.627 . 0 0 "[ . 1 . 2]" 1
463 1 71 HIS H 1 72 LEU H . . 4.380 2.646 2.456 2.809 . 0 0 "[ . 1 . 2]" 1
464 1 71 HIS HA 1 72 LEU H . . 5.500 3.542 3.501 3.573 . 0 0 "[ . 1 . 2]" 1
465 1 71 HIS HA 1 74 ARG H . . 5.500 3.796 3.429 4.553 . 0 0 "[ . 1 . 2]" 1
466 1 71 HIS HB3 1 72 LEU H . . 4.560 3.097 2.505 3.605 . 0 0 "[ . 1 . 2]" 1
467 1 72 LEU H 1 72 LEU MD1 . . 4.390 3.753 3.581 3.859 . 0 0 "[ . 1 . 2]" 1
468 1 72 LEU H 1 72 LEU MD2 . . 4.600 3.344 3.232 3.483 . 0 0 "[ . 1 . 2]" 1
469 1 72 LEU H 1 72 LEU HG . . 3.810 2.458 2.258 2.572 . 0 0 "[ . 1 . 2]" 1
470 1 72 LEU H 1 73 THR H . . 3.990 2.539 2.418 2.700 . 0 0 "[ . 1 . 2]" 1
471 1 72 LEU HA 1 72 LEU MD2 . . 3.230 1.947 1.858 2.050 . 0 0 "[ . 1 . 2]" 1
472 1 72 LEU HA 1 73 THR H . . 5.470 3.518 3.466 3.560 . 0 0 "[ . 1 . 2]" 1
473 1 72 LEU HA 1 75 LEU MD1 . . 3.550 2.440 1.891 3.234 . 0 0 "[ . 1 . 2]" 1
474 1 72 LEU HB3 1 73 THR H . . 5.500 3.725 3.515 3.902 . 0 0 "[ . 1 . 2]" 1
475 1 72 LEU MD1 1 72 LEU MD2 . . 3.000 2.085 2.075 2.091 . 0 0 "[ . 1 . 2]" 1
476 1 73 THR H 1 73 THR HB . . 4.000 2.600 2.461 2.766 . 0 0 "[ . 1 . 2]" 1
477 1 73 THR H 1 73 THR MG . . 4.330 3.768 3.727 3.802 . 0 0 "[ . 1 . 2]" 1
478 1 73 THR H 1 74 ARG H . . 3.880 2.757 2.543 2.992 . 0 0 "[ . 1 . 2]" 1
479 1 73 THR H 1 75 LEU H . . 5.210 4.051 3.917 4.251 . 0 0 "[ . 1 . 2]" 1
480 1 73 THR HA 1 73 THR MG . . 3.380 2.384 2.283 2.481 . 0 0 "[ . 1 . 2]" 1
481 1 73 THR HA 1 74 ARG H . . 5.500 3.538 3.457 3.588 . 0 0 "[ . 1 . 2]" 1
482 1 73 THR HA 1 76 TYR H . . 5.500 3.563 3.242 3.921 . 0 0 "[ . 1 . 2]" 1
483 1 73 THR HA 1 77 ASN H . . 4.400 3.380 2.221 4.388 . 0 0 "[ . 1 . 2]" 1
484 1 73 THR HB 1 74 ARG H . . 4.260 2.580 2.297 2.999 . 0 0 "[ . 1 . 2]" 1
485 1 73 THR MG 1 74 ARG H . . 4.530 3.472 3.162 3.884 . 0 0 "[ . 1 . 2]" 1
486 1 73 THR MG 1 74 ARG HA . . 4.430 3.502 3.109 3.981 . 0 0 "[ . 1 . 2]" 1
487 1 73 THR MG 1 76 TYR H . . 5.280 4.844 4.647 5.020 . 0 0 "[ . 1 . 2]" 1
488 1 73 THR MG 1 77 ASN H . . 4.700 3.956 3.358 4.373 . 0 0 "[ . 1 . 2]" 1
489 1 73 THR MG 1 77 ASN HA . . 4.560 3.442 2.219 4.623 0.063 4 0 "[ . 1 . 2]" 1
490 1 73 THR MG 1 77 ASN HB3 . . 4.000 3.638 2.525 4.097 0.097 12 0 "[ . 1 . 2]" 1
491 1 73 THR MG 1 77 ASN HD21 . . 5.500 3.612 2.049 5.237 . 0 0 "[ . 1 . 2]" 1
492 1 73 THR MG 1 77 ASN HD22 . . 5.210 4.085 3.071 5.505 0.295 20 0 "[ . 1 . 2]" 1
493 1 74 ARG H 1 74 ARG HB3 . . 3.750 3.472 2.473 3.618 . 0 0 "[ . 1 . 2]" 1
494 1 74 ARG H 1 74 ARG HG3 . . 4.560 3.123 2.147 4.393 . 0 0 "[ . 1 . 2]" 1
495 1 74 ARG H 1 75 LEU H . . 3.770 2.578 2.361 2.691 . 0 0 "[ . 1 . 2]" 1
496 1 74 ARG H 1 77 ASN H . . 4.860 4.942 4.751 5.023 0.163 7 0 "[ . 1 . 2]" 1
497 1 74 ARG HA 1 74 ARG HG3 . . 4.120 3.288 2.786 3.830 . 0 0 "[ . 1 . 2]" 1
498 1 74 ARG HA 1 75 LEU H . . 4.530 3.484 3.463 3.519 . 0 0 "[ . 1 . 2]" 1
499 1 74 ARG HA 1 77 ASN H . . 5.500 4.440 3.574 5.478 . 0 0 "[ . 1 . 2]" 1
500 1 74 ARG HB3 1 75 LEU H . . 4.170 3.634 2.645 3.926 . 0 0 "[ . 1 . 2]" 1
501 1 75 LEU H 1 75 LEU HB3 . . 4.230 3.543 3.109 3.618 . 0 0 "[ . 1 . 2]" 1
502 1 75 LEU H 1 75 LEU MD1 . . 4.450 3.603 3.448 4.070 . 0 0 "[ . 1 . 2]" 1
503 1 75 LEU H 1 75 LEU MD2 . . 4.570 3.776 3.657 4.237 . 0 0 "[ . 1 . 2]" 1
504 1 75 LEU H 1 75 LEU HG . . 3.820 2.702 2.481 3.850 0.030 10 0 "[ . 1 . 2]" 1
505 1 75 LEU H 1 76 TYR H . . 3.760 2.591 2.382 2.766 . 0 0 "[ . 1 . 2]" 1
506 1 75 LEU H 1 77 ASN H . . 4.790 4.136 3.808 4.741 . 0 0 "[ . 1 . 2]" 1
507 1 75 LEU HA 1 75 LEU MD1 . . 4.270 3.857 3.763 3.909 . 0 0 "[ . 1 . 2]" 1
508 1 75 LEU HA 1 75 LEU MD2 . . 3.010 2.059 1.984 2.188 . 0 0 "[ . 1 . 2]" 1
509 1 75 LEU HA 1 75 LEU HG . . 4.270 2.863 2.475 2.932 . 0 0 "[ . 1 . 2]" 1
510 1 75 LEU HA 1 76 TYR H . . 4.780 3.565 3.458 3.595 . 0 0 "[ . 1 . 2]" 1
511 1 75 LEU HB3 1 75 LEU MD1 . . 3.370 2.447 2.391 2.513 . 0 0 "[ . 1 . 2]" 1
512 1 75 LEU HB3 1 75 LEU MD2 . . 3.430 2.287 2.245 2.384 . 0 0 "[ . 1 . 2]" 1
513 1 75 LEU HB3 1 76 TYR H . . 4.500 3.414 2.590 3.900 . 0 0 "[ . 1 . 2]" 1
514 1 75 LEU MD1 1 75 LEU MD2 . . 2.590 2.078 2.070 2.089 . 0 0 "[ . 1 . 2]" 1
515 1 75 LEU MD1 1 76 TYR H . . 5.470 4.462 4.139 4.828 . 0 0 "[ . 1 . 2]" 1
516 1 76 TYR H 1 77 ASN H . . 3.510 2.400 2.009 2.645 . 0 0 "[ . 1 . 2]" 1
517 1 76 TYR HB3 1 80 VAL QG . . 4.140 2.910 1.902 3.610 . 0 0 "[ . 1 . 2]" 1
518 1 77 ASN H 1 77 ASN HB3 . . 3.980 2.871 2.321 3.654 . 0 0 "[ . 1 . 2]" 1
519 1 77 ASN HA 1 78 ASP H . . 4.800 3.204 2.120 3.585 . 0 0 "[ . 1 . 2]" 1
520 1 77 ASN HA 1 80 VAL QG . . 4.380 3.065 2.473 3.684 . 0 0 "[ . 1 . 2]" 1
521 1 77 ASN HB3 1 78 ASP H . . 4.680 2.827 1.758 4.413 . 0 0 "[ . 1 . 2]" 1
522 1 78 ASP H 1 79 ARG H . . 4.430 2.516 2.155 3.243 . 0 0 "[ . 1 . 2]" 1
523 1 78 ASP HA 1 79 ARG H . . 4.600 3.257 2.683 3.551 . 0 0 "[ . 1 . 2]" 1
524 1 78 ASP HB3 1 79 ARG H . . 4.750 3.578 1.866 4.447 . 0 0 "[ . 1 . 2]" 1
525 1 79 ARG H 1 79 ARG HG3 . . 4.620 3.724 2.619 4.780 0.160 10 0 "[ . 1 . 2]" 1
526 1 79 ARG H 1 80 VAL H . . 3.440 2.979 2.165 3.566 0.126 17 0 "[ . 1 . 2]" 1
527 1 79 ARG H 1 80 VAL QG . . 4.860 3.192 2.560 3.980 . 0 0 "[ . 1 . 2]" 1
528 1 79 ARG H 1 82 VAL MG1 . . 5.500 5.649 5.323 5.768 0.268 13 0 "[ . 1 . 2]" 1
529 1 79 ARG H 1 82 VAL MG2 . . 5.500 5.054 4.235 5.674 0.174 7 0 "[ . 1 . 2]" 1
530 1 79 ARG HA 1 79 ARG HG3 . . 4.470 2.946 2.281 3.921 . 0 0 "[ . 1 . 2]" 1
531 1 79 ARG HA 1 80 VAL H . . 5.060 2.620 2.217 3.197 . 0 0 "[ . 1 . 2]" 1
532 1 80 VAL H 1 80 VAL QG . . 3.280 1.782 1.728 1.865 . 0 0 "[ . 1 . 2]" 1
533 1 80 VAL H 1 81 PRO HA . . 5.120 5.684 5.134 6.055 0.935 16 11 "[-** .* ****** .+ 2]" 1
534 1 80 VAL H 1 82 VAL MG2 . . 5.500 4.363 3.808 5.163 . 0 0 "[ . 1 . 2]" 1
535 1 80 VAL HA 1 81 PRO HA . . 4.330 4.391 3.749 4.635 0.305 17 0 "[ . 1 . 2]" 1
536 1 80 VAL HA 1 82 VAL H . . 4.390 3.544 3.120 4.220 . 0 0 "[ . 1 . 2]" 1
537 1 80 VAL HA 1 82 VAL MG2 . . 4.310 2.443 1.777 4.463 0.153 18 0 "[ . 1 . 2]" 1
538 1 80 VAL HB 1 81 PRO HA . . 4.350 3.386 2.858 4.455 0.105 15 0 "[ . 1 . 2]" 1
539 1 80 VAL HB 1 82 VAL H . . 4.750 4.070 3.418 4.799 0.049 13 0 "[ . 1 . 2]" 1
540 1 80 VAL QG 1 81 PRO HA . . 4.170 3.889 3.608 4.154 . 0 0 "[ . 1 . 2]" 1
541 1 80 VAL QG 1 82 VAL H . . 4.710 3.828 3.236 4.582 . 0 0 "[ . 1 . 2]" 1
542 1 81 PRO HA 1 82 VAL H . . 4.000 2.397 2.192 2.670 . 0 0 "[ . 1 . 2]" 1
543 1 82 VAL H 1 82 VAL MG1 . . 4.760 3.441 2.266 3.794 . 0 0 "[ . 1 . 2]" 1
544 1 82 VAL H 1 82 VAL MG2 . . 4.640 2.139 1.768 3.883 . 0 0 "[ . 1 . 2]" 1
545 1 82 VAL HA 1 82 VAL MG2 . . 3.750 2.836 2.141 3.117 . 0 0 "[ . 1 . 2]" 1
546 1 82 VAL HA 1 83 LEU H . . 3.950 2.168 2.104 2.363 . 0 0 "[ . 1 . 2]" 1
547 1 82 VAL HA 1 94 HIS HA . . 4.520 2.545 1.754 4.475 . 0 0 "[ . 1 . 2]" 1
548 1 82 VAL HA 1 95 TYR H . . 5.500 3.949 3.247 5.634 0.134 16 0 "[ . 1 . 2]" 1
549 1 82 VAL MG1 1 83 LEU H . . 4.360 3.081 2.118 3.597 . 0 0 "[ . 1 . 2]" 1
550 1 82 VAL MG1 1 91 GLU HB3 . . 4.760 3.246 2.511 4.476 . 0 0 "[ . 1 . 2]" 1
551 1 82 VAL MG1 1 91 GLU HG3 . . 4.070 3.940 2.094 4.404 0.334 17 0 "[ . 1 . 2]" 1
552 1 82 VAL MG1 1 94 HIS HA . . 4.920 3.664 2.412 4.930 0.010 13 0 "[ . 1 . 2]" 1
553 1 82 VAL MG2 1 83 LEU H . . 5.500 4.116 2.493 4.447 . 0 0 "[ . 1 . 2]" 1
554 1 82 VAL MG2 1 94 HIS HB3 . . 4.150 3.687 1.730 4.320 0.170 13 0 "[ . 1 . 2]" 1
555 1 83 LEU H 1 83 LEU MD1 . . 5.330 4.031 3.777 4.224 . 0 0 "[ . 1 . 2]" 1
556 1 83 LEU H 1 83 LEU HG . . 4.870 3.618 2.734 4.806 . 0 0 "[ . 1 . 2]" 1
557 1 83 LEU H 1 93 CYS H . . 4.540 3.342 2.717 4.117 . 0 0 "[ . 1 . 2]" 1
558 1 83 LEU HA 1 83 LEU MD1 . . 4.190 3.519 3.001 3.852 . 0 0 "[ . 1 . 2]" 1
559 1 83 LEU HA 1 83 LEU MD2 . . 3.380 1.901 1.838 2.028 . 0 0 "[ . 1 . 2]" 1
560 1 83 LEU HA 1 84 PHE H . . 4.030 2.103 2.077 2.127 . 0 0 "[ . 1 . 2]" 1
561 1 83 LEU HB3 1 93 CYS H . . 4.540 3.376 2.207 4.430 . 0 0 "[ . 1 . 2]" 1
562 1 83 LEU MD1 1 83 LEU MD2 . . 2.950 2.086 2.079 2.094 . 0 0 "[ . 1 . 2]" 1
563 1 83 LEU MD1 1 84 PHE H . . 5.370 4.362 2.876 5.303 . 0 0 "[ . 1 . 2]" 1
564 1 83 LEU MD1 1 92 LEU MD1 . . 3.630 2.872 1.796 3.700 0.070 16 0 "[ . 1 . 2]" 1
565 1 83 LEU MD1 1 93 CYS H . . 5.000 3.634 2.914 4.469 . 0 0 "[ . 1 . 2]" 1
566 1 83 LEU MD2 1 84 PHE H . . 4.230 3.071 2.202 3.633 . 0 0 "[ . 1 . 2]" 1
567 1 84 PHE HA 1 85 ALA H . . 3.850 2.144 2.107 2.208 . 0 0 "[ . 1 . 2]" 1
568 1 84 PHE HA 1 92 LEU H . . 5.080 3.374 2.591 3.851 . 0 0 "[ . 1 . 2]" 1
569 1 84 PHE HB3 1 85 ALA H . . 5.500 4.242 4.069 4.339 . 0 0 "[ . 1 . 2]" 1
570 1 84 PHE HZ 1 89 ASP H . . 4.520 4.194 3.319 4.573 0.053 9 0 "[ . 1 . 2]" 1
571 1 84 PHE HZ 1 89 ASP HA . . 4.100 2.241 1.895 2.601 . 0 0 "[ . 1 . 2]" 1
572 1 84 PHE HZ 1 90 LYS H . . 4.370 3.909 3.526 4.399 0.029 8 0 "[ . 1 . 2]" 1
573 1 85 ALA H 1 90 LYS H . . 4.440 3.088 2.849 3.423 . 0 0 "[ . 1 . 2]" 1
574 1 85 ALA H 1 91 GLU HA . . 4.920 3.091 2.656 3.363 . 0 0 "[ . 1 . 2]" 1
575 1 85 ALA H 1 92 LEU H . . 4.710 3.826 3.374 4.246 . 0 0 "[ . 1 . 2]" 1
576 1 85 ALA H 1 92 LEU MD2 . . 5.210 3.991 2.798 4.503 . 0 0 "[ . 1 . 2]" 1
577 1 85 ALA H 1 92 LEU HG . . 5.430 3.438 2.776 5.295 . 0 0 "[ . 1 . 2]" 1
578 1 85 ALA HA 1 86 VAL H . . 3.880 2.170 2.136 2.221 . 0 0 "[ . 1 . 2]" 1
579 1 85 ALA HA 1 86 VAL MG2 . . 4.730 3.711 3.534 3.893 . 0 0 "[ . 1 . 2]" 1
580 1 85 ALA HA 1 92 LEU MD2 . . 4.370 4.354 3.154 4.462 0.092 6 0 "[ . 1 . 2]" 1
581 1 85 ALA MB 1 86 VAL H . . 5.500 3.415 3.315 3.536 . 0 0 "[ . 1 . 2]" 1
582 1 85 ALA MB 1 88 GLU H . . 4.800 3.481 2.495 4.384 . 0 0 "[ . 1 . 2]" 1
583 1 85 ALA MB 1 89 ASP H . . 5.230 3.645 2.955 5.229 . 0 0 "[ . 1 . 2]" 1
584 1 85 ALA MB 1 90 LYS H . . 5.050 2.851 2.547 3.480 . 0 0 "[ . 1 . 2]" 1
585 1 85 ALA MB 1 92 LEU H . . 5.500 4.141 3.795 4.482 . 0 0 "[ . 1 . 2]" 1
586 1 85 ALA MB 1 92 LEU MD1 . . 3.430 2.591 2.023 3.519 0.089 18 0 "[ . 1 . 2]" 1
587 1 85 ALA MB 1 92 LEU MD2 . . 3.560 2.221 1.702 2.390 . 0 0 "[ . 1 . 2]" 1
588 1 86 VAL H 1 86 VAL HB . . 4.110 2.545 2.442 2.673 . 0 0 "[ . 1 . 2]" 1
589 1 86 VAL H 1 86 VAL MG1 . . 4.710 3.784 3.751 3.856 . 0 0 "[ . 1 . 2]" 1
590 1 86 VAL H 1 86 VAL MG2 . . 3.770 2.132 1.956 2.329 . 0 0 "[ . 1 . 2]" 1
591 1 86 VAL HA 1 86 VAL MG1 . . 3.440 2.394 2.325 2.460 . 0 0 "[ . 1 . 2]" 1
592 1 86 VAL HA 1 86 VAL MG2 . . 3.390 2.404 2.315 2.475 . 0 0 "[ . 1 . 2]" 1
593 1 86 VAL HA 1 89 ASP H . . 5.040 3.568 2.965 5.112 0.072 9 0 "[ . 1 . 2]" 1
594 1 86 VAL MG1 1 86 VAL MG2 . . 2.430 2.080 2.062 2.088 . 0 0 "[ . 1 . 2]" 1
595 1 86 VAL MG1 1 87 ASN HA . . 4.230 3.546 3.227 3.824 . 0 0 "[ . 1 . 2]" 1
596 1 86 VAL MG1 1 87 ASN HD21 . . 5.500 4.510 2.474 5.593 0.093 18 0 "[ . 1 . 2]" 1
597 1 87 ASN HB3 1 88 GLU H . . 5.390 3.118 1.945 4.433 . 0 0 "[ . 1 . 2]" 1
598 1 88 GLU H 1 89 ASP HA . . 5.500 4.282 3.725 4.591 . 0 0 "[ . 1 . 2]" 1
599 1 88 GLU HA 1 89 ASP H . . 4.610 3.340 2.138 3.541 . 0 0 "[ . 1 . 2]" 1
600 1 89 ASP H 1 89 ASP HB3 . . 4.290 3.741 2.667 4.117 . 0 0 "[ . 1 . 2]" 1
601 1 89 ASP H 1 90 LYS H . . 3.830 3.103 2.515 4.072 0.242 9 0 "[ . 1 . 2]" 1
602 1 89 ASP HA 1 90 LYS H . . 4.020 2.351 2.194 2.824 . 0 0 "[ . 1 . 2]" 1
603 1 90 LYS HA 1 91 GLU H . . 3.430 2.368 2.197 2.587 . 0 0 "[ . 1 . 2]" 1
604 1 90 LYS HB3 1 91 GLU H . . 4.450 3.858 3.513 4.058 . 0 0 "[ . 1 . 2]" 1
605 1 91 GLU H 1 91 GLU HB3 . . 4.400 3.579 2.628 3.748 . 0 0 "[ . 1 . 2]" 1
606 1 91 GLU HA 1 91 GLU HG3 . . 4.100 2.778 2.432 3.542 . 0 0 "[ . 1 . 2]" 1
607 1 91 GLU HA 1 92 LEU H . . 4.040 2.216 2.147 2.323 . 0 0 "[ . 1 . 2]" 1
608 1 91 GLU HA 1 93 CYS H . . 4.960 4.488 3.710 5.017 0.057 20 0 "[ . 1 . 2]" 1
609 1 91 GLU HB3 1 92 LEU H . . 5.500 3.169 2.631 4.095 . 0 0 "[ . 1 . 2]" 1
610 1 91 GLU HB3 1 93 CYS H . . 5.320 4.286 3.024 5.543 0.223 7 0 "[ . 1 . 2]" 1
611 1 92 LEU H 1 92 LEU MD1 . . 5.500 3.918 3.731 4.103 . 0 0 "[ . 1 . 2]" 1
612 1 92 LEU H 1 92 LEU MD2 . . 5.300 3.346 2.461 3.552 . 0 0 "[ . 1 . 2]" 1
613 1 92 LEU H 1 92 LEU HG . . 4.400 2.700 2.358 3.926 . 0 0 "[ . 1 . 2]" 1
614 1 92 LEU H 1 93 CYS H . . 3.770 2.521 2.046 2.901 . 0 0 "[ . 1 . 2]" 1
615 1 92 LEU H 1 101 VAL MG1 . . 5.360 5.036 4.452 5.413 0.053 9 0 "[ . 1 . 2]" 1
616 1 92 LEU HA 1 92 LEU MD1 . . 4.630 3.746 2.194 3.886 . 0 0 "[ . 1 . 2]" 1
617 1 92 LEU HA 1 92 LEU MD2 . . 2.970 2.053 1.947 2.169 . 0 0 "[ . 1 . 2]" 1
618 1 92 LEU HA 1 93 CYS H . . 4.860 3.537 3.467 3.571 . 0 0 "[ . 1 . 2]" 1
619 1 92 LEU HB3 1 92 LEU MD1 . . 3.620 2.284 2.226 2.335 . 0 0 "[ . 1 . 2]" 1
620 1 92 LEU HB3 1 92 LEU MD2 . . 3.300 2.481 2.388 3.192 . 0 0 "[ . 1 . 2]" 1
621 1 92 LEU HB3 1 93 CYS H . . 5.030 3.190 2.558 3.785 . 0 0 "[ . 1 . 2]" 1
622 1 92 LEU MD1 1 92 LEU MD2 . . 2.840 2.085 2.054 2.095 . 0 0 "[ . 1 . 2]" 1
623 1 92 LEU MD1 1 93 CYS H . . 5.500 4.122 3.712 4.699 . 0 0 "[ . 1 . 2]" 1
624 1 92 LEU MD1 1 102 ILE MD . . 3.300 1.847 1.749 1.972 . 0 0 "[ . 1 . 2]" 1
625 1 92 LEU MD1 1 102 ILE MG . . 3.890 4.110 3.988 4.223 0.333 4 0 "[ . 1 . 2]" 1
626 1 92 LEU MD2 1 93 CYS H . . 5.500 4.433 4.111 4.570 . 0 0 "[ . 1 . 2]" 1
627 1 92 LEU HG 1 93 CYS H . . 4.640 4.085 3.841 4.441 . 0 0 "[ . 1 . 2]" 1
628 1 93 CYS HA 1 94 HIS H . . 3.550 2.403 2.214 2.615 . 0 0 "[ . 1 . 2]" 1
629 1 93 CYS HB3 1 94 HIS H . . 4.170 3.457 2.011 4.069 . 0 0 "[ . 1 . 2]" 1
630 1 93 CYS HB3 1 98 ASP H . . 5.500 3.309 2.237 4.158 . 0 0 "[ . 1 . 2]" 1
631 1 93 CYS HB3 1 101 VAL MG1 . . 4.790 4.552 3.309 5.116 0.326 1 0 "[ . 1 . 2]" 1
632 1 94 HIS HA 1 95 TYR H . . 4.260 2.366 2.038 2.747 . 0 0 "[ . 1 . 2]" 1
633 1 94 HIS HB3 1 95 TYR H . . 5.320 3.661 2.624 4.153 . 0 0 "[ . 1 . 2]" 1
634 1 95 TYR H 1 96 PHE H . . 4.640 3.880 2.815 4.641 0.001 11 0 "[ . 1 . 2]" 1
635 1 95 TYR HA 1 96 PHE H . . 5.370 2.847 2.028 3.612 . 0 0 "[ . 1 . 2]" 1
636 1 95 TYR HB3 1 96 PHE H . . 4.260 3.292 2.193 4.116 . 0 0 "[ . 1 . 2]" 1
637 1 96 PHE H 1 96 PHE HB3 . . 4.160 3.893 3.569 4.149 . 0 0 "[ . 1 . 2]" 1
638 1 96 PHE H 1 97 LEU HB3 . . 5.500 6.196 5.287 6.765 1.265 15 12 "[ **-****** * *+ 2]" 1
639 1 96 PHE H 1 97 LEU MD1 . . 5.500 5.560 5.477 5.638 0.138 9 0 "[ . 1 . 2]" 1
640 1 96 PHE HB3 1 97 LEU H . . 4.650 2.819 1.762 4.198 . 0 0 "[ . 1 . 2]" 1
641 1 97 LEU H 1 97 LEU HB3 . . 4.310 2.971 2.551 3.692 . 0 0 "[ . 1 . 2]" 1
642 1 97 LEU H 1 97 LEU MD1 . . 5.300 4.105 3.820 4.305 . 0 0 "[ . 1 . 2]" 1
643 1 97 LEU H 1 97 LEU HG . . 4.850 4.648 4.486 4.885 0.035 13 0 "[ . 1 . 2]" 1
644 1 97 LEU HA 1 97 LEU MD1 . . 3.210 1.956 1.806 2.081 . 0 0 "[ . 1 . 2]" 1
645 1 97 LEU HA 1 97 LEU MD2 . . 3.800 3.838 3.793 3.866 0.066 1 0 "[ . 1 . 2]" 1
646 1 97 LEU HA 1 98 ASP H . . 3.840 2.160 2.112 2.245 . 0 0 "[ . 1 . 2]" 1
647 1 97 LEU HB3 1 98 ASP H . . 5.500 4.177 3.772 4.372 . 0 0 "[ . 1 . 2]" 1
648 1 97 LEU MD1 1 98 ASP H . . 4.230 2.916 2.123 3.491 . 0 0 "[ . 1 . 2]" 1
649 1 97 LEU MD1 1 102 ILE HB . . 4.020 3.829 2.899 4.089 0.069 7 0 "[ . 1 . 2]" 1
650 1 97 LEU HG 1 98 ASP H . . 5.020 3.266 2.395 3.734 . 0 0 "[ . 1 . 2]" 1
651 1 97 LEU HG 1 102 ILE MG . . 3.800 3.422 3.004 3.892 0.092 16 0 "[ . 1 . 2]" 1
652 1 98 ASP H 1 101 VAL HB . . 5.500 4.844 4.291 5.547 0.047 13 0 "[ . 1 . 2]" 1
653 1 98 ASP H 1 102 ILE H . . 5.240 5.104 4.513 5.350 0.110 4 0 "[ . 1 . 2]" 1
654 1 98 ASP HB3 1 101 VAL HB . . 4.780 3.089 2.371 4.426 . 0 0 "[ . 1 . 2]" 1
655 1 98 ASP HB3 1 101 VAL MG2 . . 4.090 2.945 2.145 4.109 0.019 13 0 "[ . 1 . 2]" 1
656 1 99 SER HA 1 102 ILE H . . 4.820 3.928 3.469 4.519 . 0 0 "[ . 1 . 2]" 1
657 1 99 SER HA 1 102 ILE MG . . 3.140 2.200 1.784 2.628 . 0 0 "[ . 1 . 2]" 1
658 1 99 SER HB3 1 100 ASP H . . 5.080 3.893 3.475 4.551 . 0 0 "[ . 1 . 2]" 1
659 1 100 ASP H 1 101 VAL H . . 4.000 2.583 2.079 2.818 . 0 0 "[ . 1 . 2]" 1
660 1 100 ASP H 1 101 VAL MG2 . . 4.960 4.209 3.902 4.525 . 0 0 "[ . 1 . 2]" 1
661 1 100 ASP HA 1 101 VAL H . . 4.540 3.542 3.516 3.573 . 0 0 "[ . 1 . 2]" 1
662 1 100 ASP HA 1 103 GLY H . . 5.500 3.587 3.173 4.012 . 0 0 "[ . 1 . 2]" 1
663 1 100 ASP HB3 1 101 VAL H . . 4.490 2.733 2.319 3.632 . 0 0 "[ . 1 . 2]" 1
664 1 100 ASP HB3 1 101 VAL MG2 . . 4.950 3.335 2.960 4.325 . 0 0 "[ . 1 . 2]" 1
665 1 101 VAL H 1 101 VAL HB . . 3.800 2.438 2.352 2.515 . 0 0 "[ . 1 . 2]" 1
666 1 101 VAL H 1 101 VAL MG1 . . 4.310 3.757 3.727 3.772 . 0 0 "[ . 1 . 2]" 1
667 1 101 VAL H 1 101 VAL MG2 . . 3.680 2.270 2.106 2.439 . 0 0 "[ . 1 . 2]" 1
668 1 101 VAL H 1 102 ILE H . . 3.860 2.729 2.487 2.977 . 0 0 "[ . 1 . 2]" 1
669 1 101 VAL HA 1 101 VAL MG1 . . 3.580 2.486 2.406 2.593 . 0 0 "[ . 1 . 2]" 1
670 1 101 VAL HA 1 101 VAL MG2 . . 3.090 2.265 2.179 2.364 . 0 0 "[ . 1 . 2]" 1
671 1 101 VAL HA 1 102 ILE H . . 4.530 3.578 3.544 3.603 . 0 0 "[ . 1 . 2]" 1
672 1 101 VAL HA 1 104 ALA MB . . 3.380 2.728 2.530 2.930 . 0 0 "[ . 1 . 2]" 1
673 1 101 VAL HB 1 102 ILE H . . 4.090 2.613 2.516 2.716 . 0 0 "[ . 1 . 2]" 1
674 1 101 VAL MG1 1 101 VAL MG2 . . 2.700 2.081 2.073 2.089 . 0 0 "[ . 1 . 2]" 1
675 1 101 VAL MG1 1 102 ILE H . . 4.940 3.206 2.901 3.466 . 0 0 "[ . 1 . 2]" 1
676 1 101 VAL MG1 1 104 ALA MB . . 4.140 3.572 3.315 3.908 . 0 0 "[ . 1 . 2]" 1
677 1 101 VAL MG2 1 102 ILE H . . 4.690 3.926 3.799 4.047 . 0 0 "[ . 1 . 2]" 1
678 1 101 VAL MG2 1 104 ALA MB . . 3.940 4.076 4.013 4.136 0.196 1 0 "[ . 1 . 2]" 1
679 1 102 ILE H 1 102 ILE HB . . 3.840 2.682 2.585 2.785 . 0 0 "[ . 1 . 2]" 1
680 1 102 ILE H 1 102 ILE MD . . 5.080 4.148 4.044 4.203 . 0 0 "[ . 1 . 2]" 1
681 1 102 ILE H 1 102 ILE HG13 . . 5.220 4.461 4.406 4.500 . 0 0 "[ . 1 . 2]" 1
682 1 102 ILE H 1 102 ILE MG . . 3.710 2.006 1.878 2.154 . 0 0 "[ . 1 . 2]" 1
683 1 102 ILE H 1 103 GLY H . . 3.880 2.570 2.499 2.668 . 0 0 "[ . 1 . 2]" 1
684 1 102 ILE H 1 103 GLY HA2 . . 4.890 5.200 5.141 5.289 0.399 3 0 "[ . 1 . 2]" 1
685 1 102 ILE H 1 104 ALA H . . 4.650 4.066 3.920 4.295 . 0 0 "[ . 1 . 2]" 1
686 1 102 ILE HA 1 102 ILE MD . . 3.200 2.002 1.831 2.118 . 0 0 "[ . 1 . 2]" 1
687 1 102 ILE HA 1 102 ILE MG . . 3.640 3.201 3.186 3.212 . 0 0 "[ . 1 . 2]" 1
688 1 102 ILE HA 1 103 GLY H . . 4.700 3.511 3.485 3.537 . 0 0 "[ . 1 . 2]" 1
689 1 102 ILE HA 1 104 ALA H . . 4.790 4.090 3.675 4.328 . 0 0 "[ . 1 . 2]" 1
690 1 102 ILE HA 1 105 TYR H . . 4.260 3.126 2.951 3.274 . 0 0 "[ . 1 . 2]" 1
691 1 102 ILE HA 1 105 TYR HB3 . . 4.260 2.469 2.019 2.900 . 0 0 "[ . 1 . 2]" 1
692 1 102 ILE HA 1 106 LEU H . . 5.500 3.730 3.277 3.998 . 0 0 "[ . 1 . 2]" 1
693 1 102 ILE HB 1 102 ILE MD . . 3.500 2.376 2.318 2.443 . 0 0 "[ . 1 . 2]" 1
694 1 102 ILE HB 1 103 GLY H . . 5.290 4.069 4.005 4.150 . 0 0 "[ . 1 . 2]" 1
695 1 102 ILE MD 1 102 ILE MG . . 3.090 3.217 3.197 3.232 0.142 18 0 "[ . 1 . 2]" 1
696 1 102 ILE MD 1 105 TYR H . . 5.290 3.926 3.565 4.285 . 0 0 "[ . 1 . 2]" 1
697 1 102 ILE MD 1 105 TYR HB3 . . 4.310 2.388 2.068 2.894 . 0 0 "[ . 1 . 2]" 1
698 1 102 ILE MD 1 106 LEU H . . 5.500 3.354 2.833 3.833 . 0 0 "[ . 1 . 2]" 1
699 1 102 ILE HG13 1 102 ILE MG . . 3.340 2.414 2.349 2.495 . 0 0 "[ . 1 . 2]" 1
700 1 102 ILE HG13 1 106 LEU HG . . 3.850 3.076 2.329 3.367 . 0 0 "[ . 1 . 2]" 1
701 1 102 ILE MG 1 103 GLY H . . 3.980 2.272 2.176 2.422 . 0 0 "[ . 1 . 2]" 1
702 1 102 ILE MG 1 103 GLY HA3 . . 4.140 3.661 3.519 3.810 . 0 0 "[ . 1 . 2]" 1
703 1 102 ILE MG 1 104 ALA H . . 5.020 4.372 4.215 4.611 . 0 0 "[ . 1 . 2]" 1
704 1 102 ILE MG 1 105 TYR H . . 5.030 4.865 4.738 5.046 0.016 18 0 "[ . 1 . 2]" 1
705 1 103 GLY H 1 104 ALA H . . 3.670 2.621 2.536 2.720 . 0 0 "[ . 1 . 2]" 1
706 1 103 GLY H 1 104 ALA MB . . 5.100 4.285 4.227 4.332 . 0 0 "[ . 1 . 2]" 1
707 1 103 GLY H 1 106 LEU H . . 4.720 4.610 4.508 4.718 . 0 0 "[ . 1 . 2]" 1
708 1 103 GLY HA2 1 104 ALA H . . 4.150 3.502 3.439 3.542 . 0 0 "[ . 1 . 2]" 1
709 1 103 GLY HA3 1 104 ALA H . . 4.300 2.864 2.733 3.038 . 0 0 "[ . 1 . 2]" 1
710 1 103 GLY HA3 1 105 TYR H . . 5.450 4.569 4.276 4.844 . 0 0 "[ . 1 . 2]" 1
711 1 104 ALA H 1 104 ALA MB . . 3.310 2.228 2.212 2.245 . 0 0 "[ . 1 . 2]" 1
712 1 104 ALA H 1 105 TYR H . . 3.680 2.529 2.348 2.709 . 0 0 "[ . 1 . 2]" 1
713 1 104 ALA MB 1 105 TYR H . . 3.860 2.700 2.415 2.868 . 0 0 "[ . 1 . 2]" 1
714 1 104 ALA MB 1 106 LEU H . . 5.500 4.657 4.386 4.956 . 0 0 "[ . 1 . 2]" 1
715 1 104 ALA MB 1 107 SER H . . 5.500 5.071 4.634 5.397 . 0 0 "[ . 1 . 2]" 1
716 1 105 TYR H 1 105 TYR HB3 . . 4.000 2.346 2.266 2.403 . 0 0 "[ . 1 . 2]" 1
717 1 105 TYR H 1 106 LEU H . . 3.890 2.435 2.308 2.665 . 0 0 "[ . 1 . 2]" 1
718 1 105 TYR HA 1 106 LEU H . . 4.650 3.531 3.489 3.567 . 0 0 "[ . 1 . 2]" 1
719 1 105 TYR HA 1 107 SER H . . 4.640 4.103 3.530 4.751 0.111 14 0 "[ . 1 . 2]" 1
720 1 105 TYR HB3 1 106 LEU H . . 4.670 2.673 2.381 2.876 . 0 0 "[ . 1 . 2]" 1
721 1 106 LEU H 1 106 LEU HG . . 4.420 4.210 2.889 4.373 . 0 0 "[ . 1 . 2]" 1
722 1 106 LEU H 1 107 SER H . . 3.610 2.635 2.435 2.871 . 0 0 "[ . 1 . 2]" 1
723 1 106 LEU HA 1 106 LEU HG . . 4.480 3.566 2.806 3.641 . 0 0 "[ . 1 . 2]" 1
724 1 106 LEU HA 1 107 SER H . . 3.950 3.332 3.116 3.547 . 0 0 "[ . 1 . 2]" 1
725 1 106 LEU HB3 1 107 SER H . . 4.850 3.560 2.883 4.065 . 0 0 "[ . 1 . 2]" 1
726 1 107 SER H 1 107 SER HB3 . . 3.770 3.541 2.638 3.977 0.207 8 0 "[ . 1 . 2]" 1
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