NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454523 |
2yuy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yuy
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 886
_Distance_constraint_stats_list.Viol_count 1759
_Distance_constraint_stats_list.Viol_total 6090.007
_Distance_constraint_stats_list.Viol_max 2.215
_Distance_constraint_stats_list.Viol_rms 0.1138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.1731
_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 9 PRO 0.002 0.002 20 0 "[ . 1 . 2]"
1 10 LYS 2.240 0.660 10 2 "[ . + . - 2]"
1 11 THR 0.124 0.048 13 0 "[ . 1 . 2]"
1 12 VAL 5.418 0.660 10 2 "[ . + . - 2]"
1 13 THR 3.148 0.711 10 3 "[* . + . - 2]"
1 14 LEU 25.449 1.178 11 20 [***-******+*********]
1 15 LYS 8.717 0.847 2 7 "[*+ *. ** *. - 2]"
1 16 ARG 3.098 1.751 20 1 "[ . 1 . +]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 1.359 0.262 16 0 "[ . 1 . 2]"
1 22 GLY 0.025 0.025 4 0 "[ . 1 . 2]"
1 23 PHE 3.001 0.203 11 0 "[ . 1 . 2]"
1 24 THR 13.317 0.914 6 11 "[* -.+ **** * * **]"
1 25 LEU 5.288 1.182 16 5 "[ * *- 1 .+ *]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.066 0.041 12 0 "[ . 1 . 2]"
1 29 ILE 2.195 0.196 16 0 "[ . 1 . 2]"
1 30 VAL 2.720 0.400 15 0 "[ . 1 . 2]"
1 31 TYR 4.611 0.899 4 3 "[- +. * . 2]"
1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PRO 3.468 0.844 8 2 "[- . + 1 . 2]"
1 34 GLU 16.985 1.681 16 10 "[ *** *** *+ -*2]"
1 35 SER 16.201 1.681 16 10 "[ *** *** *+ -*2]"
1 36 ALA 3.201 0.844 8 2 "[- . + 1 . 2]"
1 37 ILE 1.727 0.429 15 0 "[ . 1 . 2]"
1 38 GLN 0.937 0.200 17 0 "[ . 1 . 2]"
1 39 PHE 0.288 0.113 2 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.440 0.223 5 0 "[ . 1 . 2]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASP 0.011 0.008 15 0 "[ . 1 . 2]"
1 44 GLU 0.011 0.008 15 0 "[ . 1 . 2]"
1 56 ARG 2.504 0.635 4 1 "[ +. 1 . 2]"
1 57 LEU 13.847 1.522 12 10 "[ **.* - 1 +* * ***2]"
1 58 GLU 11.093 1.522 12 6 "[ * . 1 +* * ** 2]"
1 59 PRO 3.263 0.899 4 3 "[- +. * . 2]"
1 60 MET 0.767 0.205 20 0 "[ . 1 . 2]"
1 62 THR 1.336 0.286 6 0 "[ . 1 . 2]"
1 63 ILE 6.844 1.141 2 5 "[ + ** 1 .* -]"
1 64 PHE 0.145 0.033 4 0 "[ . 1 . 2]"
1 65 VAL 3.459 0.258 18 0 "[ . 1 . 2]"
1 66 LYS 16.386 1.994 4 10 "[ *+.*** * ** . -*]"
1 67 GLN 24.171 1.994 4 15 "[* *+.******** * * **]"
1 68 VAL 0.617 0.079 10 0 "[ . 1 . 2]"
1 69 LYS 4.542 0.518 16 1 "[ . 1 .+ 2]"
1 70 GLU 7.421 0.216 20 0 "[ . 1 . 2]"
1 71 GLY 7.421 0.216 20 0 "[ . 1 . 2]"
1 72 GLY 0.169 0.069 20 0 "[ . 1 . 2]"
1 73 PRO 0.022 0.022 4 0 "[ . 1 . 2]"
1 74 ALA 2.091 0.100 10 0 "[ . 1 . 2]"
1 75 PHE 0.212 0.069 20 0 "[ . 1 . 2]"
1 76 GLU 4.229 0.183 19 0 "[ . 1 . 2]"
1 77 ALA 2.227 0.115 10 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 1.808 0.057 20 0 "[ . 1 . 2]"
1 80 CYS 0.863 0.146 18 0 "[ . 1 . 2]"
1 81 THR 3.150 0.204 17 0 "[ . 1 . 2]"
1 82 GLY 0.324 0.100 11 0 "[ . 1 . 2]"
1 83 ASP 2.044 0.258 18 0 "[ . 1 . 2]"
1 84 ARG 0.007 0.007 15 0 "[ . 1 . 2]"
1 85 ILE 11.238 1.182 16 5 "[ * ** 1 .+ -]"
1 86 ILE 9.546 1.328 20 2 "[ . -1 . +]"
1 87 LYS 48.640 1.328 20 20 [*************-*****+]
1 88 VAL 0.780 0.179 9 0 "[ . 1 . 2]"
1 89 ASN 1.435 0.179 9 0 "[ . 1 . 2]"
1 90 GLY 0.084 0.059 11 0 "[ . 1 . 2]"
1 91 GLU 0.029 0.023 12 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.332 0.086 4 0 "[ . 1 . 2]"
1 94 ILE 3.798 0.281 4 0 "[ . 1 . 2]"
1 95 GLY 1.250 0.281 4 0 "[ . 1 . 2]"
1 96 LYS 11.143 0.866 3 11 "[ *+*.*- ** * * **]"
1 97 THR 4.826 0.920 11 3 "[ * . 1+ -. 2]"
1 98 TYR 0.111 0.020 3 0 "[ . 1 . 2]"
1 99 SER 15.246 2.215 18 7 "[ * .* * * -. +*2]"
1 100 GLN 16.609 2.215 18 8 "[ * .* * ** -. +*2]"
1 101 VAL 0.629 0.086 4 0 "[ . 1 . 2]"
1 102 ILE 2.080 0.107 16 0 "[ . 1 . 2]"
1 103 ALA 23.723 1.311 4 20 [***+***********-****]
1 104 LEU 27.313 1.311 4 20 [*-*+****************]
1 105 ILE 1.940 0.083 7 0 "[ . 1 . 2]"
1 106 GLN 2.717 0.147 7 0 "[ . 1 . 2]"
1 107 ASN 0.245 0.082 13 0 "[ . 1 . 2]"
1 108 SER 2.444 0.265 11 0 "[ . 1 . 2]"
1 109 ASP 2.718 0.265 11 0 "[ . 1 . 2]"
1 110 THR 2.128 1.751 20 1 "[ . 1 . +]"
1 111 THR 3.249 0.847 2 3 "[ + . *1 -. 2]"
1 112 LEU 3.279 0.244 11 0 "[ . 1 . 2]"
1 113 GLU 1.696 0.107 8 0 "[ . 1 . 2]"
1 114 LEU 25.364 1.178 11 20 [**********+******-**]
1 115 SER 30.600 1.080 10 19 [*********+***-*****2]
1 116 VAL 2.897 0.112 16 0 "[ . 1 . 2]"
1 117 MET 4.910 0.444 11 0 "[ . 1 . 2]"
1 118 PRO 15.943 1.443 14 11 "[- *** ***1** +* 2]"
1 119 LYS 23.529 1.443 14 15 "[* ********** +* * -]"
1 120 ASP 3.633 1.211 14 1 "[ . 1 +. 2]"
1 121 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PRO 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 9 PRO HB3 1 10 LYS H . . 3.920 3.480 3.102 3.922 0.002 20 0 "[ . 1 . 2]" 1
2 1 9 PRO HB3 1 86 ILE MD . . 3.350 2.785 2.003 3.294 . 0 0 "[ . 1 . 2]" 1
3 1 10 LYS H 1 10 LYS HB3 . . 3.470 2.350 2.176 2.739 . 0 0 "[ . 1 . 2]" 1
4 1 10 LYS H 1 10 LYS HG3 . . 5.010 4.176 3.807 4.460 . 0 0 "[ . 1 . 2]" 1
5 1 10 LYS H 1 11 THR H . . 4.720 4.502 4.234 4.605 . 0 0 "[ . 1 . 2]" 1
6 1 10 LYS H 1 115 SER HA . . 5.020 4.845 4.181 5.044 0.024 10 0 "[ . 1 . 2]" 1
7 1 10 LYS H 1 116 VAL H . . 4.240 3.645 2.836 3.940 . 0 0 "[ . 1 . 2]" 1
8 1 10 LYS H 1 116 VAL MG2 . . 4.120 3.998 3.572 4.175 0.055 16 0 "[ . 1 . 2]" 1
9 1 10 LYS H 1 117 MET HA . . 4.640 3.460 3.013 3.800 . 0 0 "[ . 1 . 2]" 1
10 1 10 LYS H 1 118 PRO HD3 . . 5.040 3.788 3.107 4.790 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS HA 1 10 LYS HG3 . . 3.900 3.049 2.353 3.415 . 0 0 "[ . 1 . 2]" 1
12 1 10 LYS HA 1 11 THR H . . 3.130 2.250 2.177 2.348 . 0 0 "[ . 1 . 2]" 1
13 1 10 LYS HB3 1 116 VAL H . . 4.510 3.314 2.202 4.554 0.044 17 0 "[ . 1 . 2]" 1
14 1 10 LYS HB3 1 116 VAL MG2 . . 3.150 2.540 1.960 3.207 0.057 15 0 "[ . 1 . 2]" 1
15 1 10 LYS HD3 1 116 VAL MG2 . . 5.160 3.099 1.768 4.337 . 0 0 "[ . 1 . 2]" 1
16 1 10 LYS HE3 1 12 VAL MG1 . . 3.680 2.451 1.883 3.106 . 0 0 "[ . 1 . 2]" 1
17 1 10 LYS HE3 1 12 VAL MG2 . . 3.910 3.830 2.825 4.570 0.660 10 2 "[ . + . - 2]" 1
18 1 10 LYS HG3 1 116 VAL MG2 . . 3.800 2.920 2.419 3.817 0.017 13 0 "[ . 1 . 2]" 1
19 1 11 THR H 1 11 THR HB . . 3.320 2.635 2.402 2.848 . 0 0 "[ . 1 . 2]" 1
20 1 11 THR H 1 12 VAL H . . 4.890 4.437 4.307 4.558 . 0 0 "[ . 1 . 2]" 1
21 1 11 THR HA 1 11 THR MG . . 3.150 2.283 2.163 2.513 . 0 0 "[ . 1 . 2]" 1
22 1 11 THR HA 1 12 VAL H . . 3.180 2.226 2.172 2.348 . 0 0 "[ . 1 . 2]" 1
23 1 11 THR HA 1 12 VAL MG2 . . 3.760 3.174 2.958 3.359 . 0 0 "[ . 1 . 2]" 1
24 1 11 THR HA 1 115 SER HA . . 3.650 2.534 2.087 3.104 . 0 0 "[ . 1 . 2]" 1
25 1 11 THR HA 1 116 VAL H . . 4.160 3.882 3.304 4.143 . 0 0 "[ . 1 . 2]" 1
26 1 11 THR HB 1 12 VAL H . . 4.240 4.111 4.000 4.237 . 0 0 "[ . 1 . 2]" 1
27 1 11 THR MG 1 12 VAL H . . 3.210 2.483 1.916 2.813 . 0 0 "[ . 1 . 2]" 1
28 1 11 THR MG 1 12 VAL HA . . 4.050 3.856 3.412 4.082 0.032 13 0 "[ . 1 . 2]" 1
29 1 11 THR MG 1 113 GLU HG3 . . 3.490 2.705 1.979 3.209 . 0 0 "[ . 1 . 2]" 1
30 1 11 THR MG 1 115 SER HA . . 4.030 3.917 3.682 4.078 0.048 13 0 "[ . 1 . 2]" 1
31 1 12 VAL H 1 12 VAL HB . . 3.980 3.659 3.513 3.733 . 0 0 "[ . 1 . 2]" 1
32 1 12 VAL H 1 12 VAL MG1 . . 3.790 3.510 3.295 3.594 . 0 0 "[ . 1 . 2]" 1
33 1 12 VAL H 1 12 VAL MG2 . . 3.140 1.967 1.895 2.217 . 0 0 "[ . 1 . 2]" 1
34 1 12 VAL H 1 13 THR H . . 4.750 4.261 4.146 4.416 . 0 0 "[ . 1 . 2]" 1
35 1 12 VAL H 1 115 SER HA . . 4.080 3.341 3.124 3.844 . 0 0 "[ . 1 . 2]" 1
36 1 12 VAL H 1 116 VAL H . . 4.980 4.944 4.430 5.008 0.028 15 0 "[ . 1 . 2]" 1
37 1 12 VAL HA 1 12 VAL MG1 . . 3.080 2.088 1.994 2.242 . 0 0 "[ . 1 . 2]" 1
38 1 12 VAL HA 1 12 VAL MG2 . . 3.560 3.153 3.110 3.178 . 0 0 "[ . 1 . 2]" 1
39 1 12 VAL HA 1 13 THR H . . 3.170 2.222 2.184 2.285 . 0 0 "[ . 1 . 2]" 1
40 1 12 VAL HB 1 13 THR H . . 3.620 3.332 3.031 3.634 0.014 20 0 "[ . 1 . 2]" 1
41 1 12 VAL HB 1 77 ALA MB . . 3.420 2.196 1.971 2.510 . 0 0 "[ . 1 . 2]" 1
42 1 12 VAL HB 1 114 LEU MD1 . . 4.200 4.114 3.852 4.226 0.026 11 0 "[ . 1 . 2]" 1
43 1 12 VAL MG1 1 13 THR H . . 3.540 3.515 3.372 3.573 0.033 13 0 "[ . 1 . 2]" 1
44 1 12 VAL MG1 1 77 ALA HA . . 3.700 3.615 3.318 3.710 0.010 20 0 "[ . 1 . 2]" 1
45 1 12 VAL MG1 1 77 ALA MB . . 2.710 2.356 2.119 2.521 . 0 0 "[ . 1 . 2]" 1
46 1 12 VAL MG1 1 78 GLY H . . 4.930 3.986 3.564 4.308 . 0 0 "[ . 1 . 2]" 1
47 1 12 VAL MG1 1 79 LEU H . . 4.000 3.299 3.017 3.771 . 0 0 "[ . 1 . 2]" 1
48 1 12 VAL MG1 1 79 LEU MD1 . . 2.700 2.342 2.052 2.704 0.004 14 0 "[ . 1 . 2]" 1
49 1 12 VAL MG2 1 79 LEU HA . . 4.170 4.167 4.085 4.208 0.038 15 0 "[ . 1 . 2]" 1
50 1 12 VAL MG2 1 79 LEU MD2 . . 3.600 3.614 3.572 3.657 0.057 20 0 "[ . 1 . 2]" 1
51 1 12 VAL MG2 1 114 LEU H . . 4.320 2.894 2.423 3.321 . 0 0 "[ . 1 . 2]" 1
52 1 12 VAL MG2 1 114 LEU HB3 . . 3.010 3.098 2.589 3.345 0.335 5 0 "[ . 1 . 2]" 1
53 1 12 VAL MG2 1 114 LEU MD1 . . 3.500 3.093 2.723 3.264 . 0 0 "[ . 1 . 2]" 1
54 1 12 VAL MG2 1 116 VAL H . . 4.390 3.485 3.266 3.813 . 0 0 "[ . 1 . 2]" 1
55 1 13 THR H 1 13 THR HB . . 3.200 2.575 2.436 2.719 . 0 0 "[ . 1 . 2]" 1
56 1 13 THR H 1 13 THR MG . . 3.840 3.795 3.743 3.855 0.015 10 0 "[ . 1 . 2]" 1
57 1 13 THR H 1 14 LEU H . . 5.150 4.553 4.493 4.593 . 0 0 "[ . 1 . 2]" 1
58 1 13 THR H 1 77 ALA HA . . 4.590 3.910 3.654 4.368 . 0 0 "[ . 1 . 2]" 1
59 1 13 THR H 1 77 ALA MB . . 3.980 2.477 2.147 2.787 . 0 0 "[ . 1 . 2]" 1
60 1 13 THR H 1 113 GLU HA . . 5.130 4.795 4.519 5.019 . 0 0 "[ . 1 . 2]" 1
61 1 13 THR HA 1 13 THR MG . . 3.080 2.275 2.124 2.362 . 0 0 "[ . 1 . 2]" 1
62 1 13 THR HA 1 14 LEU H . . 3.370 2.304 2.199 2.386 . 0 0 "[ . 1 . 2]" 1
63 1 13 THR HA 1 14 LEU QD . . 4.090 2.681 2.419 3.166 . 0 0 "[ . 1 . 2]" 1
64 1 13 THR HA 1 113 GLU HA . . 3.810 2.117 2.018 2.340 . 0 0 "[ . 1 . 2]" 1
65 1 13 THR HA 1 114 LEU H . . 4.350 3.270 2.940 3.560 . 0 0 "[ . 1 . 2]" 1
66 1 13 THR HB 1 14 LEU H . . 4.220 3.856 3.611 4.119 . 0 0 "[ . 1 . 2]" 1
67 1 13 THR MG 1 14 LEU H . . 3.260 2.353 2.130 2.765 . 0 0 "[ . 1 . 2]" 1
68 1 13 THR MG 1 15 LYS H . . 5.080 4.953 4.682 5.092 0.012 20 0 "[ . 1 . 2]" 1
69 1 13 THR MG 1 15 LYS HG3 . . 4.060 4.078 3.507 4.771 0.711 10 3 "[* . + . - 2]" 1
70 1 13 THR MG 1 112 LEU H . . 4.000 3.452 3.153 3.835 . 0 0 "[ . 1 . 2]" 1
71 1 13 THR MG 1 113 GLU H . . 4.340 4.289 4.169 4.374 0.034 5 0 "[ . 1 . 2]" 1
72 1 13 THR MG 1 113 GLU HA . . 3.580 3.084 2.886 3.382 . 0 0 "[ . 1 . 2]" 1
73 1 13 THR MG 1 113 GLU HG3 . . 3.770 3.469 2.864 3.777 0.007 6 0 "[ . 1 . 2]" 1
74 1 14 LEU H 1 14 LEU HB3 . . 4.130 3.800 3.670 3.895 . 0 0 "[ . 1 . 2]" 1
75 1 14 LEU H 1 14 LEU QD . . 3.610 2.677 2.365 2.908 . 0 0 "[ . 1 . 2]" 1
76 1 14 LEU H 1 14 LEU HG . . 3.940 3.847 3.697 3.970 0.030 20 0 "[ . 1 . 2]" 1
77 1 14 LEU H 1 15 LYS H . . 4.870 4.384 4.153 4.474 . 0 0 "[ . 1 . 2]" 1
78 1 14 LEU H 1 15 LYS HG3 . . 5.140 5.148 4.564 5.932 0.792 10 3 "[* -. + . 2]" 1
79 1 14 LEU H 1 111 THR MG . . 4.160 4.113 3.495 4.206 0.046 5 0 "[ . 1 . 2]" 1
80 1 14 LEU H 1 112 LEU H . . 4.260 2.567 2.250 2.914 . 0 0 "[ . 1 . 2]" 1
81 1 14 LEU H 1 113 GLU HA . . 4.270 3.169 2.951 3.526 . 0 0 "[ . 1 . 2]" 1
82 1 14 LEU H 1 114 LEU H . . 4.870 4.841 4.564 4.918 0.048 9 0 "[ . 1 . 2]" 1
83 1 14 LEU HA 1 14 LEU QD . . 3.420 3.029 2.975 3.077 . 0 0 "[ . 1 . 2]" 1
84 1 14 LEU HA 1 14 LEU HG . . 3.800 2.394 2.281 2.503 . 0 0 "[ . 1 . 2]" 1
85 1 14 LEU HA 1 77 ALA MB . . 3.890 3.612 3.393 3.833 . 0 0 "[ . 1 . 2]" 1
86 1 14 LEU HB3 1 15 LYS H . . 4.590 2.833 2.350 3.500 . 0 0 "[ . 1 . 2]" 1
87 1 14 LEU HB3 1 21 PHE QD . . 3.920 2.591 1.987 2.932 . 0 0 "[ . 1 . 2]" 1
88 1 14 LEU HB3 1 112 LEU H . . 4.760 4.312 3.836 4.677 . 0 0 "[ . 1 . 2]" 1
89 1 14 LEU HB3 1 112 LEU HB3 . . 4.400 3.644 3.016 4.513 0.113 13 0 "[ . 1 . 2]" 1
90 1 14 LEU HB3 1 112 LEU MD1 . . 3.980 3.643 3.176 4.224 0.244 11 0 "[ . 1 . 2]" 1
91 1 14 LEU QD 1 15 LYS H . . 4.610 4.003 3.678 4.289 . 0 0 "[ . 1 . 2]" 1
92 1 14 LEU QD 1 21 PHE HB3 . . 3.760 2.419 1.897 2.929 . 0 0 "[ . 1 . 2]" 1
93 1 14 LEU QD 1 21 PHE QD . . 3.600 3.053 2.333 3.438 . 0 0 "[ . 1 . 2]" 1
94 1 14 LEU QD 1 23 PHE QD . . 3.010 2.326 1.867 2.937 . 0 0 "[ . 1 . 2]" 1
95 1 14 LEU QD 1 23 PHE QE . . 3.380 2.165 1.781 2.724 . 0 0 "[ . 1 . 2]" 1
96 1 14 LEU QD 1 73 PRO HB3 . . 4.040 3.913 3.778 3.978 . 0 0 "[ . 1 . 2]" 1
97 1 14 LEU QD 1 74 ALA H . . 3.800 2.014 1.923 2.262 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU QD 1 74 ALA HA . . 3.170 2.292 2.047 2.480 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU QD 1 74 ALA MB . . 2.910 1.847 1.733 2.012 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU QD 1 112 LEU MD1 . . 3.050 1.955 1.828 2.257 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU QD 1 114 LEU H . . 4.340 3.127 2.696 3.433 . 0 0 "[ . 1 . 2]" 1
102 1 14 LEU QD 1 114 LEU HB3 . . 2.870 3.912 3.568 4.048 1.178 11 20 [**********+******-**] 1
103 1 14 LEU QD 1 114 LEU MD1 . . 2.560 1.713 1.671 1.802 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU QD 1 114 LEU HG . . 3.730 2.477 2.196 2.735 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU HG 1 15 LYS H . . 4.440 4.280 3.953 4.419 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU HG 1 74 ALA HA . . 3.950 2.634 2.376 2.859 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU HG 1 77 ALA MB . . 3.060 2.714 2.388 2.968 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU HG 1 114 LEU MD1 . . 3.940 3.903 3.675 3.960 0.020 12 0 "[ . 1 . 2]" 1
109 1 15 LYS H 1 15 LYS HG3 . . 3.910 3.342 2.754 3.862 . 0 0 "[ . 1 . 2]" 1
110 1 15 LYS H 1 21 PHE QD . . 5.170 3.858 2.891 4.516 . 0 0 "[ . 1 . 2]" 1
111 1 15 LYS H 1 73 PRO HB3 . . 4.370 2.160 1.941 2.590 . 0 0 "[ . 1 . 2]" 1
112 1 15 LYS HA 1 15 LYS HD3 . . 4.030 3.666 3.136 4.451 0.421 14 0 "[ . 1 . 2]" 1
113 1 15 LYS HA 1 15 LYS HG3 . . 3.860 3.360 2.273 3.681 . 0 0 "[ . 1 . 2]" 1
114 1 15 LYS HA 1 16 ARG H . . 3.230 2.182 2.175 2.216 . 0 0 "[ . 1 . 2]" 1
115 1 15 LYS HA 1 21 PHE QE . . 4.420 3.359 2.481 3.832 . 0 0 "[ . 1 . 2]" 1
116 1 15 LYS HA 1 111 THR HA . . 3.600 2.212 1.993 2.516 . 0 0 "[ . 1 . 2]" 1
117 1 15 LYS HA 1 111 THR MG . . 3.460 2.293 1.888 2.766 . 0 0 "[ . 1 . 2]" 1
118 1 15 LYS HA 1 112 LEU H . . 4.360 3.594 3.046 3.975 . 0 0 "[ . 1 . 2]" 1
119 1 15 LYS HB3 1 16 ARG H . . 4.050 3.564 3.239 3.689 . 0 0 "[ . 1 . 2]" 1
120 1 15 LYS HB3 1 111 THR MG . . 4.050 3.131 2.682 3.572 . 0 0 "[ . 1 . 2]" 1
121 1 15 LYS HD3 1 111 THR MG . . 3.370 2.470 1.832 4.217 0.847 2 3 "[ + . *1 -. 2]" 1
122 1 15 LYS HE3 1 15 LYS HG3 . . 3.780 2.754 2.050 3.782 0.002 2 0 "[ . 1 . 2]" 1
123 1 15 LYS HG3 1 111 THR MG . . 3.920 3.142 1.762 3.560 . 0 0 "[ . 1 . 2]" 1
124 1 16 ARG H 1 16 ARG HD3 . . 4.840 4.640 4.327 5.807 0.967 20 1 "[ . 1 . +]" 1
125 1 16 ARG H 1 17 THR H . . 5.000 4.456 4.427 4.560 . 0 0 "[ . 1 . 2]" 1
126 1 16 ARG H 1 21 PHE QD . . 4.790 4.376 3.442 4.812 0.022 18 0 "[ . 1 . 2]" 1
127 1 16 ARG H 1 21 PHE QE . . 3.990 2.596 2.058 3.375 . 0 0 "[ . 1 . 2]" 1
128 1 16 ARG H 1 21 PHE HZ . . 4.720 3.922 2.991 4.734 0.014 11 0 "[ . 1 . 2]" 1
129 1 16 ARG H 1 110 THR HA . . 4.190 3.996 3.612 4.222 0.032 18 0 "[ . 1 . 2]" 1
130 1 16 ARG H 1 110 THR MG . . 4.170 3.695 2.769 4.223 0.053 11 0 "[ . 1 . 2]" 1
131 1 16 ARG H 1 111 THR HA . . 4.120 2.633 2.041 2.976 . 0 0 "[ . 1 . 2]" 1
132 1 16 ARG H 1 111 THR MG . . 4.110 3.539 2.984 3.882 . 0 0 "[ . 1 . 2]" 1
133 1 16 ARG H 1 112 LEU H . . 5.070 4.478 3.948 4.919 . 0 0 "[ . 1 . 2]" 1
134 1 16 ARG HA 1 17 THR H . . 3.190 2.228 2.225 2.235 . 0 0 "[ . 1 . 2]" 1
135 1 16 ARG HA 1 21 PHE QD . . 4.240 3.150 2.172 3.860 . 0 0 "[ . 1 . 2]" 1
136 1 16 ARG HA 1 21 PHE QE . . 4.190 2.676 2.100 3.384 . 0 0 "[ . 1 . 2]" 1
137 1 16 ARG HD3 1 110 THR HA . . 4.000 3.663 2.745 5.751 1.751 20 1 "[ . 1 . +]" 1
138 1 16 ARG HG3 1 17 THR H . . 4.060 2.975 2.869 3.756 . 0 0 "[ . 1 . 2]" 1
139 1 17 THR H 1 17 THR MG . . 3.780 2.376 1.904 3.336 . 0 0 "[ . 1 . 2]" 1
140 1 17 THR H 1 21 PHE QD . . 5.280 3.808 3.208 4.659 . 0 0 "[ . 1 . 2]" 1
141 1 17 THR H 1 21 PHE QE . . 5.120 4.432 3.698 5.093 . 0 0 "[ . 1 . 2]" 1
142 1 17 THR H 1 73 PRO HG3 . . 4.950 3.661 3.095 4.052 . 0 0 "[ . 1 . 2]" 1
143 1 17 THR MG 1 73 PRO HB3 . . 3.780 3.263 2.689 3.753 . 0 0 "[ . 1 . 2]" 1
144 1 17 THR MG 1 73 PRO HG3 . . 3.470 2.104 1.856 2.360 . 0 0 "[ . 1 . 2]" 1
145 1 21 PHE HB3 1 23 PHE QD . . 3.860 2.733 2.058 3.548 . 0 0 "[ . 1 . 2]" 1
146 1 21 PHE HB3 1 23 PHE QE . . 3.710 2.648 2.019 3.536 . 0 0 "[ . 1 . 2]" 1
147 1 21 PHE QD 1 23 PHE QE . . 4.000 3.293 2.103 3.895 . 0 0 "[ . 1 . 2]" 1
148 1 21 PHE QD 1 105 ILE MG . . 3.470 2.519 1.902 3.422 . 0 0 "[ . 1 . 2]" 1
149 1 21 PHE QD 1 112 LEU MD1 . . 3.990 3.307 2.215 3.816 . 0 0 "[ . 1 . 2]" 1
150 1 21 PHE QE 1 105 ILE MG . . 3.710 2.385 1.790 3.723 0.013 20 0 "[ . 1 . 2]" 1
151 1 21 PHE QE 1 108 SER HB3 . . 4.130 3.663 2.415 4.270 0.140 20 0 "[ . 1 . 2]" 1
152 1 21 PHE QE 1 111 THR HA . . 4.350 3.341 2.556 3.787 . 0 0 "[ . 1 . 2]" 1
153 1 21 PHE QE 1 112 LEU H . . 4.570 3.616 2.730 4.234 . 0 0 "[ . 1 . 2]" 1
154 1 21 PHE QE 1 112 LEU HB3 . . 4.330 2.760 1.977 3.283 . 0 0 "[ . 1 . 2]" 1
155 1 21 PHE QE 1 112 LEU MD1 . . 4.200 3.468 2.539 4.238 0.038 4 0 "[ . 1 . 2]" 1
156 1 21 PHE QE 1 112 LEU MD2 . . 4.140 4.120 3.816 4.243 0.103 18 0 "[ . 1 . 2]" 1
157 1 21 PHE HZ 1 108 SER HB3 . . 3.960 3.498 2.380 4.222 0.262 16 0 "[ . 1 . 2]" 1
158 1 21 PHE HZ 1 112 LEU H . . 5.040 4.283 3.320 5.086 0.046 18 0 "[ . 1 . 2]" 1
159 1 22 GLY H 1 23 PHE H . . 4.270 3.407 1.886 4.295 0.025 4 0 "[ . 1 . 2]" 1
160 1 23 PHE H 1 23 PHE QD . . 4.270 2.368 1.999 3.717 . 0 0 "[ . 1 . 2]" 1
161 1 23 PHE H 1 24 THR H . . 4.870 4.567 4.309 4.664 . 0 0 "[ . 1 . 2]" 1
162 1 23 PHE H 1 68 VAL MG2 . . 4.910 4.565 4.156 4.947 0.037 18 0 "[ . 1 . 2]" 1
163 1 23 PHE H 1 74 ALA MB . . 4.860 2.587 1.912 3.981 . 0 0 "[ . 1 . 2]" 1
164 1 23 PHE HA 1 23 PHE QD . . 4.260 3.727 3.685 3.757 . 0 0 "[ . 1 . 2]" 1
165 1 23 PHE HA 1 24 THR H . . 3.330 2.563 2.428 2.691 . 0 0 "[ . 1 . 2]" 1
166 1 23 PHE HA 1 68 VAL HA . . 3.690 2.163 1.984 2.514 . 0 0 "[ . 1 . 2]" 1
167 1 23 PHE HA 1 68 VAL MG2 . . 3.890 3.177 2.696 3.504 . 0 0 "[ . 1 . 2]" 1
168 1 23 PHE HA 1 69 LYS H . . 4.330 2.888 2.511 3.332 . 0 0 "[ . 1 . 2]" 1
169 1 23 PHE HA 1 74 ALA MB . . 4.300 3.736 3.522 3.988 . 0 0 "[ . 1 . 2]" 1
170 1 23 PHE HB3 1 24 THR H . . 3.920 3.933 3.720 4.123 0.203 11 0 "[ . 1 . 2]" 1
171 1 23 PHE HB3 1 65 VAL MG1 . . 3.900 3.985 3.660 4.087 0.187 10 0 "[ . 1 . 2]" 1
172 1 23 PHE HB3 1 68 VAL MG2 . . 3.770 3.019 2.598 3.430 . 0 0 "[ . 1 . 2]" 1
173 1 23 PHE HB3 1 69 LYS H . . 5.060 4.131 3.613 4.595 . 0 0 "[ . 1 . 2]" 1
174 1 23 PHE HB3 1 74 ALA MB . . 3.590 1.914 1.859 2.124 . 0 0 "[ . 1 . 2]" 1
175 1 23 PHE QD 1 24 THR H . . 4.150 2.881 2.305 3.262 . 0 0 "[ . 1 . 2]" 1
176 1 23 PHE QD 1 65 VAL MG1 . . 3.850 3.028 2.432 3.433 . 0 0 "[ . 1 . 2]" 1
177 1 23 PHE QD 1 74 ALA MB . . 3.230 2.258 1.901 2.750 . 0 0 "[ . 1 . 2]" 1
178 1 23 PHE QD 1 79 LEU MD2 . . 3.870 2.828 2.385 3.465 . 0 0 "[ . 1 . 2]" 1
179 1 23 PHE QE 1 25 LEU QD . . 2.900 1.904 1.756 2.148 . 0 0 "[ . 1 . 2]" 1
180 1 23 PHE QE 1 25 LEU HG . . 3.820 3.730 3.465 3.829 0.009 15 0 "[ . 1 . 2]" 1
181 1 23 PHE QE 1 74 ALA MB . . 4.010 3.864 3.454 4.031 0.021 11 0 "[ . 1 . 2]" 1
182 1 23 PHE QE 1 112 LEU MD1 . . 3.400 2.533 2.215 2.872 . 0 0 "[ . 1 . 2]" 1
183 1 23 PHE HZ 1 105 ILE MD . . 3.130 2.806 2.061 3.151 0.021 11 0 "[ . 1 . 2]" 1
184 1 23 PHE HZ 1 105 ILE MG . . 3.430 2.985 2.063 3.427 . 0 0 "[ . 1 . 2]" 1
185 1 23 PHE HZ 1 112 LEU MD1 . . 3.600 2.626 2.024 3.228 . 0 0 "[ . 1 . 2]" 1
186 1 24 THR H 1 24 THR MG . . 3.690 2.374 2.080 2.665 . 0 0 "[ . 1 . 2]" 1
187 1 24 THR H 1 65 VAL MG1 . . 4.080 2.870 2.468 3.173 . 0 0 "[ . 1 . 2]" 1
188 1 24 THR H 1 66 LYS HB3 . . 4.970 4.116 3.510 4.632 . 0 0 "[ . 1 . 2]" 1
189 1 24 THR H 1 67 GLN H . . 3.940 2.791 2.315 3.233 . 0 0 "[ . 1 . 2]" 1
190 1 24 THR H 1 67 GLN HB3 . . 4.770 5.254 4.784 5.684 0.914 6 10 "[* -.+ **1* * * **]" 1
191 1 24 THR H 1 74 ALA MB . . 5.020 5.056 5.022 5.117 0.097 11 0 "[ . 1 . 2]" 1
192 1 24 THR HB 1 25 LEU H . . 4.020 3.890 3.712 4.106 0.086 11 0 "[ . 1 . 2]" 1
193 1 24 THR MG 1 25 LEU H . . 3.870 3.515 2.964 3.869 . 0 0 "[ . 1 . 2]" 1
194 1 24 THR MG 1 66 LYS HE3 . . 4.230 4.074 3.142 4.988 0.758 10 2 "[ . + . -2]" 1
195 1 24 THR MG 1 67 GLN HB3 . . 3.800 3.443 2.689 3.847 0.047 8 0 "[ . 1 . 2]" 1
196 1 24 THR MG 1 67 GLN HG3 . . 4.260 3.614 1.864 4.242 . 0 0 "[ . 1 . 2]" 1
197 1 25 LEU H 1 25 LEU QD . . 3.950 2.068 1.886 2.386 . 0 0 "[ . 1 . 2]" 1
198 1 25 LEU H 1 25 LEU HG . . 4.330 4.206 3.972 4.350 0.020 1 0 "[ . 1 . 2]" 1
199 1 25 LEU HA 1 25 LEU QD . . 3.250 1.995 1.900 2.137 . 0 0 "[ . 1 . 2]" 1
200 1 25 LEU HA 1 65 VAL HA . . 3.940 2.893 2.439 3.175 . 0 0 "[ . 1 . 2]" 1
201 1 25 LEU HA 1 66 LYS H . . 4.100 3.050 2.242 3.659 . 0 0 "[ . 1 . 2]" 1
202 1 25 LEU HA 1 67 GLN H . . 5.160 4.913 4.576 5.183 0.023 20 0 "[ . 1 . 2]" 1
203 1 25 LEU HB3 1 26 ARG H . . 4.430 2.360 2.108 2.697 . 0 0 "[ . 1 . 2]" 1
204 1 25 LEU HB3 1 98 TYR QE . . 3.840 2.668 1.999 3.448 . 0 0 "[ . 1 . 2]" 1
205 1 25 LEU QD 1 26 ARG H . . 3.920 3.529 3.324 3.731 . 0 0 "[ . 1 . 2]" 1
206 1 25 LEU QD 1 63 ILE MG . . 2.840 2.216 1.697 2.681 . 0 0 "[ . 1 . 2]" 1
207 1 25 LEU QD 1 64 PHE H . . 4.540 4.120 3.297 4.443 . 0 0 "[ . 1 . 2]" 1
208 1 25 LEU QD 1 65 VAL HA . . 3.270 2.314 1.928 2.748 . 0 0 "[ . 1 . 2]" 1
209 1 25 LEU QD 1 66 LYS H . . 3.940 3.412 2.825 3.870 . 0 0 "[ . 1 . 2]" 1
210 1 25 LEU QD 1 85 ILE MD . . 3.010 2.968 2.909 3.015 0.005 4 0 "[ . 1 . 2]" 1
211 1 25 LEU QD 1 85 ILE HG13 . . 3.620 3.171 2.493 4.802 1.182 16 5 "[ * *- 1 .+ *]" 1
212 1 25 LEU QD 1 98 TYR QE . . 3.650 3.277 2.927 3.529 . 0 0 "[ . 1 . 2]" 1
213 1 25 LEU QD 1 102 ILE HA . . 4.230 4.181 4.146 4.196 . 0 0 "[ . 1 . 2]" 1
214 1 25 LEU QD 1 102 ILE MD . . 2.970 2.550 2.125 2.879 . 0 0 "[ . 1 . 2]" 1
215 1 28 PHE HB3 1 29 ILE H . . 4.320 3.426 2.051 4.331 0.011 11 0 "[ . 1 . 2]" 1
216 1 28 PHE QD 1 29 ILE H . . 5.170 3.670 1.961 4.709 . 0 0 "[ . 1 . 2]" 1
217 1 28 PHE QD 1 30 VAL QG . . 3.960 2.805 1.938 3.724 . 0 0 "[ . 1 . 2]" 1
218 1 28 PHE QE 1 30 VAL QG . . 3.480 3.130 2.353 3.521 0.041 12 0 "[ . 1 . 2]" 1
219 1 29 ILE H 1 29 ILE HB . . 3.660 2.826 2.129 3.734 0.074 12 0 "[ . 1 . 2]" 1
220 1 29 ILE H 1 29 ILE MD . . 4.190 3.543 2.303 4.104 . 0 0 "[ . 1 . 2]" 1
221 1 29 ILE H 1 29 ILE HG13 . . 4.150 2.468 1.911 3.988 . 0 0 "[ . 1 . 2]" 1
222 1 29 ILE H 1 29 ILE MG . . 4.120 3.652 2.339 3.978 . 0 0 "[ . 1 . 2]" 1
223 1 29 ILE HA 1 29 ILE MD . . 3.800 3.595 1.934 3.930 0.130 12 0 "[ . 1 . 2]" 1
224 1 29 ILE HA 1 29 ILE HG13 . . 4.200 3.158 2.524 4.214 0.014 20 0 "[ . 1 . 2]" 1
225 1 29 ILE HA 1 29 ILE MG . . 3.330 2.389 2.141 2.635 . 0 0 "[ . 1 . 2]" 1
226 1 29 ILE HA 1 30 VAL H . . 3.500 2.688 2.179 3.636 0.136 10 0 "[ . 1 . 2]" 1
227 1 29 ILE HA 1 30 VAL QG . . 3.960 3.673 3.193 3.905 . 0 0 "[ . 1 . 2]" 1
228 1 29 ILE HB 1 29 ILE MD . . 3.200 2.408 1.943 3.200 . 0 0 "[ . 1 . 2]" 1
229 1 29 ILE HB 1 31 TYR QE . . 4.020 3.595 1.973 4.216 0.196 16 0 "[ . 1 . 2]" 1
230 1 29 ILE MD 1 29 ILE MG . . 2.870 2.131 1.830 2.923 0.053 3 0 "[ . 1 . 2]" 1
231 1 29 ILE MD 1 31 TYR QE . . 4.100 3.721 2.034 4.164 0.064 20 0 "[ . 1 . 2]" 1
232 1 29 ILE HG13 1 29 ILE MG . . 3.520 3.064 2.124 3.241 . 0 0 "[ . 1 . 2]" 1
233 1 29 ILE MG 1 30 VAL H . . 3.470 3.171 2.477 3.537 0.067 13 0 "[ . 1 . 2]" 1
234 1 29 ILE MG 1 31 TYR QD . . 4.130 3.046 1.913 4.149 0.019 3 0 "[ . 1 . 2]" 1
235 1 29 ILE MG 1 31 TYR QE . . 3.700 2.339 1.772 3.709 0.009 13 0 "[ . 1 . 2]" 1
236 1 29 ILE MG 1 59 PRO HB3 . . 4.130 3.336 1.976 4.144 0.014 16 0 "[ . 1 . 2]" 1
237 1 29 ILE MG 1 59 PRO HG3 . . 3.860 2.699 1.946 3.591 . 0 0 "[ . 1 . 2]" 1
238 1 29 ILE MG 1 60 MET H . . 4.730 3.957 1.885 4.761 0.031 11 0 "[ . 1 . 2]" 1
239 1 30 VAL H 1 30 VAL HB . . 3.600 2.927 2.240 3.708 0.108 15 0 "[ . 1 . 2]" 1
240 1 30 VAL H 1 30 VAL QG . . 3.520 2.487 1.828 3.208 . 0 0 "[ . 1 . 2]" 1
241 1 30 VAL H 1 31 TYR H . . 5.000 4.266 1.903 4.660 . 0 0 "[ . 1 . 2]" 1
242 1 30 VAL HA 1 30 VAL QG . . 3.220 2.171 2.018 2.428 . 0 0 "[ . 1 . 2]" 1
243 1 30 VAL HA 1 31 TYR H . . 3.130 2.623 2.184 3.530 0.400 15 0 "[ . 1 . 2]" 1
244 1 30 VAL HA 1 31 TYR QD . . 4.210 3.394 2.758 4.219 0.009 13 0 "[ . 1 . 2]" 1
245 1 30 VAL HB 1 31 TYR H . . 4.230 3.618 1.846 4.388 0.158 3 0 "[ . 1 . 2]" 1
246 1 30 VAL QG 1 31 TYR H . . 3.610 2.101 1.639 3.035 . 0 0 "[ . 1 . 2]" 1
247 1 30 VAL QG 1 31 TYR HA . . 4.170 3.366 2.914 4.053 . 0 0 "[ . 1 . 2]" 1
248 1 30 VAL QG 1 31 TYR QD . . 3.980 3.708 2.433 4.036 0.056 19 0 "[ . 1 . 2]" 1
249 1 30 VAL QG 1 32 PRO HD3 . . 3.860 2.110 1.749 3.339 . 0 0 "[ . 1 . 2]" 1
250 1 31 TYR H 1 31 TYR HB3 . . 4.040 3.734 3.431 4.024 . 0 0 "[ . 1 . 2]" 1
251 1 31 TYR H 1 31 TYR QD . . 3.730 2.944 1.950 3.426 . 0 0 "[ . 1 . 2]" 1
252 1 31 TYR QD 1 59 PRO HG3 . . 4.100 2.939 1.997 4.087 . 0 0 "[ . 1 . 2]" 1
253 1 31 TYR QE 1 59 PRO HB3 . . 4.220 3.829 1.997 5.119 0.899 4 3 "[- +. * . 2]" 1
254 1 31 TYR QE 1 59 PRO HD3 . . 4.280 3.529 2.303 4.345 0.065 8 0 "[ . 1 . 2]" 1
255 1 31 TYR QE 1 59 PRO HG3 . . 4.270 2.648 1.979 3.708 . 0 0 "[ . 1 . 2]" 1
256 1 32 PRO HA 1 33 PRO HD3 . . 3.120 2.063 1.964 2.180 . 0 0 "[ . 1 . 2]" 1
257 1 32 PRO HB3 1 33 PRO HD3 . . 3.720 3.382 3.137 3.658 . 0 0 "[ . 1 . 2]" 1
258 1 33 PRO HA 1 34 GLU H . . 3.540 2.822 2.211 3.541 0.001 17 0 "[ . 1 . 2]" 1
259 1 33 PRO HB3 1 34 GLU H . . 4.380 3.621 3.099 4.727 0.347 19 0 "[ . 1 . 2]" 1
260 1 33 PRO HB3 1 36 ALA MB . . 4.360 3.753 2.282 4.386 0.026 16 0 "[ . 1 . 2]" 1
261 1 33 PRO HD3 1 36 ALA MB . . 4.190 4.049 2.744 5.034 0.844 8 2 "[- . + 1 . 2]" 1
262 1 34 GLU H 1 34 GLU HB3 . . 3.990 3.424 2.851 3.972 . 0 0 "[ . 1 . 2]" 1
263 1 34 GLU H 1 35 SER H . . 4.950 3.486 2.058 4.633 . 0 0 "[ . 1 . 2]" 1
264 1 34 GLU HA 1 35 SER HA . . 4.350 4.456 4.306 4.555 0.205 16 0 "[ . 1 . 2]" 1
265 1 34 GLU HB3 1 35 SER H . . 5.060 3.106 1.929 3.924 . 0 0 "[ . 1 . 2]" 1
266 1 34 GLU HB3 1 35 SER HB3 . . 3.800 4.486 3.609 5.481 1.681 16 10 "[ *** *** *+ -*2]" 1
267 1 36 ALA HA 1 37 ILE H . . 3.450 2.683 2.188 3.630 0.180 12 0 "[ . 1 . 2]" 1
268 1 36 ALA MB 1 37 ILE H . . 3.860 2.916 1.833 3.792 . 0 0 "[ . 1 . 2]" 1
269 1 37 ILE H 1 37 ILE HB . . 3.550 2.617 2.275 3.595 0.045 6 0 "[ . 1 . 2]" 1
270 1 37 ILE H 1 37 ILE HG13 . . 3.610 2.732 2.013 4.039 0.429 15 0 "[ . 1 . 2]" 1
271 1 37 ILE H 1 37 ILE MG . . 4.090 3.773 3.671 4.041 . 0 0 "[ . 1 . 2]" 1
272 1 37 ILE H 1 38 GLN H . . 4.660 3.941 2.049 4.674 0.014 8 0 "[ . 1 . 2]" 1
273 1 37 ILE HA 1 37 ILE MD . . 3.960 3.446 1.953 3.894 . 0 0 "[ . 1 . 2]" 1
274 1 37 ILE HA 1 37 ILE HG13 . . 3.660 2.866 2.310 3.693 0.033 3 0 "[ . 1 . 2]" 1
275 1 37 ILE HA 1 37 ILE MG . . 3.120 2.422 2.287 2.516 . 0 0 "[ . 1 . 2]" 1
276 1 37 ILE HA 1 38 GLN H . . 3.420 2.575 2.177 3.521 0.101 15 0 "[ . 1 . 2]" 1
277 1 37 ILE HG13 1 37 ILE MG . . 3.440 2.988 2.268 3.238 . 0 0 "[ . 1 . 2]" 1
278 1 37 ILE HG13 1 38 GLN H . . 5.270 4.778 4.264 5.470 0.200 17 0 "[ . 1 . 2]" 1
279 1 37 ILE MG 1 38 GLN H . . 4.050 2.794 1.897 4.049 . 0 0 "[ . 1 . 2]" 1
280 1 37 ILE MG 1 38 GLN HA . . 4.130 3.812 3.139 4.123 . 0 0 "[ . 1 . 2]" 1
281 1 38 GLN H 1 38 GLN HE21 . . 4.840 4.253 2.373 4.750 . 0 0 "[ . 1 . 2]" 1
282 1 38 GLN HA 1 39 PHE H . . 3.530 2.709 2.208 3.643 0.113 2 0 "[ . 1 . 2]" 1
283 1 38 GLN HB3 1 39 PHE H . . 5.100 3.785 2.378 4.718 . 0 0 "[ . 1 . 2]" 1
284 1 39 PHE HA 1 39 PHE QD . . 3.870 2.816 2.197 3.739 . 0 0 "[ . 1 . 2]" 1
285 1 40 SER HB3 1 41 TYR H . . 4.890 3.629 2.008 4.615 . 0 0 "[ . 1 . 2]" 1
286 1 41 TYR HA 1 41 TYR QD . . 3.490 2.996 2.001 3.713 0.223 5 0 "[ . 1 . 2]" 1
287 1 41 TYR QD 1 42 LYS H . . 4.980 3.253 2.052 4.671 . 0 0 "[ . 1 . 2]" 1
288 1 43 ASP H 1 44 GLU H . . 4.430 3.454 2.009 4.438 0.008 15 0 "[ . 1 . 2]" 1
289 1 43 ASP HB3 1 44 GLU H . . 4.760 3.340 2.054 4.595 . 0 0 "[ . 1 . 2]" 1
290 1 44 GLU H 1 44 GLU HB3 . . 3.850 3.219 2.395 3.823 . 0 0 "[ . 1 . 2]" 1
291 1 56 ARG H 1 56 ARG HB3 . . 4.130 3.256 2.581 3.947 . 0 0 "[ . 1 . 2]" 1
292 1 56 ARG HA 1 57 LEU H . . 3.290 2.586 2.253 3.065 . 0 0 "[ . 1 . 2]" 1
293 1 56 ARG HA 1 57 LEU QD . . 4.360 3.365 2.595 4.301 . 0 0 "[ . 1 . 2]" 1
294 1 56 ARG HD3 1 57 LEU QD . . 4.320 4.084 3.148 4.955 0.635 4 1 "[ +. 1 . 2]" 1
295 1 57 LEU H 1 57 LEU HB3 . . 3.540 3.630 3.374 4.080 0.540 6 3 "[ .+ - 1 . *2]" 1
296 1 57 LEU H 1 57 LEU QD . . 4.480 2.547 1.999 3.745 . 0 0 "[ . 1 . 2]" 1
297 1 57 LEU H 1 58 GLU H . . 4.400 3.637 2.493 4.464 0.064 12 0 "[ . 1 . 2]" 1
298 1 57 LEU H 1 58 GLU HA . . 4.980 4.842 4.106 5.104 0.124 2 0 "[ . 1 . 2]" 1
299 1 57 LEU HA 1 57 LEU QD . . 2.910 2.153 1.867 2.591 . 0 0 "[ . 1 . 2]" 1
300 1 57 LEU HA 1 57 LEU HG . . 3.810 3.112 2.325 3.757 . 0 0 "[ . 1 . 2]" 1
301 1 57 LEU HA 1 58 GLU H . . 3.230 2.541 2.236 3.087 . 0 0 "[ . 1 . 2]" 1
302 1 57 LEU HA 1 58 GLU HG3 . . 4.230 4.388 3.150 5.752 1.522 12 6 "[ * . 1 +- * ** 2]" 1
303 1 57 LEU QD 1 58 GLU H . . 4.320 3.674 2.417 4.217 . 0 0 "[ . 1 . 2]" 1
304 1 58 GLU H 1 58 GLU HB3 . . 4.130 3.573 2.149 4.110 . 0 0 "[ . 1 . 2]" 1
305 1 58 GLU H 1 58 GLU HG3 . . 3.920 3.018 1.937 4.681 0.761 18 2 "[ . 1 - . + 2]" 1
306 1 58 GLU HB3 1 59 PRO HD3 . . 3.880 3.183 2.854 4.148 0.268 15 0 "[ . 1 . 2]" 1
307 1 60 MET H 1 60 MET HB3 . . 3.880 3.576 2.310 4.085 0.205 20 0 "[ . 1 . 2]" 1
308 1 60 MET H 1 60 MET HG3 . . 4.130 3.554 2.462 4.134 0.004 16 0 "[ . 1 . 2]" 1
309 1 60 MET HA 1 60 MET HG3 . . 3.880 3.302 2.521 3.967 0.087 19 0 "[ . 1 . 2]" 1
310 1 62 THR HA 1 62 THR MG . . 3.420 2.403 2.110 3.220 . 0 0 "[ . 1 . 2]" 1
311 1 62 THR HA 1 63 ILE H . . 3.250 2.724 2.337 3.536 0.286 6 0 "[ . 1 . 2]" 1
312 1 62 THR HB 1 63 ILE H . . 3.650 3.372 1.943 3.847 0.197 5 0 "[ . 1 . 2]" 1
313 1 62 THR HB 1 64 PHE QE . . 3.690 2.814 1.998 3.719 0.029 6 0 "[ . 1 . 2]" 1
314 1 62 THR MG 1 63 ILE H . . 3.540 2.477 1.843 3.597 0.057 2 0 "[ . 1 . 2]" 1
315 1 62 THR MG 1 64 PHE QE . . 3.610 2.604 1.882 3.643 0.033 4 0 "[ . 1 . 2]" 1
316 1 62 THR MG 1 84 ARG HD3 . . 3.780 3.268 2.245 3.771 . 0 0 "[ . 1 . 2]" 1
317 1 63 ILE H 1 63 ILE HB . . 3.930 2.614 2.132 3.469 . 0 0 "[ . 1 . 2]" 1
318 1 63 ILE H 1 63 ILE MD . . 3.920 2.876 2.108 3.470 . 0 0 "[ . 1 . 2]" 1
319 1 63 ILE H 1 63 ILE HG13 . . 4.190 3.245 2.647 3.958 . 0 0 "[ . 1 . 2]" 1
320 1 63 ILE H 1 63 ILE MG . . 4.030 3.746 3.481 4.078 0.048 7 0 "[ . 1 . 2]" 1
321 1 63 ILE H 1 64 PHE H . . 5.000 3.686 2.377 4.560 . 0 0 "[ . 1 . 2]" 1
322 1 63 ILE HA 1 63 ILE MD . . 3.540 3.459 1.931 3.607 0.067 18 0 "[ . 1 . 2]" 1
323 1 63 ILE HA 1 63 ILE MG . . 3.500 2.568 2.300 2.694 . 0 0 "[ . 1 . 2]" 1
324 1 63 ILE HA 1 64 PHE H . . 3.630 2.675 2.176 3.641 0.011 19 0 "[ . 1 . 2]" 1
325 1 63 ILE HB 1 63 ILE MD . . 3.450 2.141 1.980 3.178 . 0 0 "[ . 1 . 2]" 1
326 1 63 ILE HB 1 85 ILE HB . . 3.920 2.496 1.991 3.381 . 0 0 "[ . 1 . 2]" 1
327 1 63 ILE MD 1 63 ILE MG . . 2.820 2.816 2.403 2.879 0.059 18 0 "[ . 1 . 2]" 1
328 1 63 ILE MD 1 93 VAL HB . . 3.910 3.555 2.562 3.918 0.008 17 0 "[ . 1 . 2]" 1
329 1 63 ILE MD 1 93 VAL MG2 . . 3.270 3.106 2.761 3.284 0.014 10 0 "[ . 1 . 2]" 1
330 1 63 ILE MD 1 98 TYR H . . 4.350 4.009 2.976 4.369 0.019 1 0 "[ . 1 . 2]" 1
331 1 63 ILE MD 1 98 TYR HA . . 3.420 2.852 2.340 3.294 . 0 0 "[ . 1 . 2]" 1
332 1 63 ILE MD 1 98 TYR QD . . 3.580 3.312 2.019 3.590 0.010 19 0 "[ . 1 . 2]" 1
333 1 63 ILE HG13 1 63 ILE MG . . 3.670 2.934 2.112 3.019 . 0 0 "[ . 1 . 2]" 1
334 1 63 ILE MG 1 64 PHE H . . 3.790 2.895 2.032 3.734 . 0 0 "[ . 1 . 2]" 1
335 1 63 ILE MG 1 85 ILE HB . . 3.420 2.449 1.787 2.945 . 0 0 "[ . 1 . 2]" 1
336 1 63 ILE MG 1 85 ILE MD . . 3.220 3.189 2.700 3.351 0.131 7 0 "[ . 1 . 2]" 1
337 1 63 ILE MG 1 85 ILE HG13 . . 3.870 2.743 1.922 5.011 1.141 2 5 "[ + ** 1 .* -]" 1
338 1 63 ILE MG 1 85 ILE MG . . 3.530 3.229 2.798 3.538 0.008 17 0 "[ . 1 . 2]" 1
339 1 63 ILE MG 1 98 TYR QD . . 4.240 3.738 3.053 4.250 0.010 5 0 "[ . 1 . 2]" 1
340 1 63 ILE MG 1 98 TYR QE . . 4.170 3.446 2.618 4.014 . 0 0 "[ . 1 . 2]" 1
341 1 64 PHE H 1 64 PHE QD . . 4.100 3.105 2.387 3.924 . 0 0 "[ . 1 . 2]" 1
342 1 64 PHE H 1 65 VAL MG2 . . 5.500 5.009 4.228 5.522 0.022 18 0 "[ . 1 . 2]" 1
343 1 64 PHE HA 1 64 PHE QD . . 4.360 2.657 2.016 3.140 . 0 0 "[ . 1 . 2]" 1
344 1 64 PHE HA 1 65 VAL H . . 3.460 2.268 2.192 2.493 . 0 0 "[ . 1 . 2]" 1
345 1 64 PHE HA 1 65 VAL MG2 . . 4.100 3.638 3.371 3.979 . 0 0 "[ . 1 . 2]" 1
346 1 64 PHE HB3 1 65 VAL H . . 4.060 3.282 2.494 3.849 . 0 0 "[ . 1 . 2]" 1
347 1 64 PHE QD 1 65 VAL H . . 5.140 3.891 2.270 4.430 . 0 0 "[ . 1 . 2]" 1
348 1 64 PHE QE 1 84 ARG HD3 . . 4.250 2.989 1.995 4.168 . 0 0 "[ . 1 . 2]" 1
349 1 65 VAL H 1 65 VAL HB . . 3.490 2.364 2.237 2.658 . 0 0 "[ . 1 . 2]" 1
350 1 65 VAL H 1 65 VAL MG2 . . 3.120 2.256 1.862 2.648 . 0 0 "[ . 1 . 2]" 1
351 1 65 VAL H 1 81 THR HA . . 5.030 4.639 4.151 5.011 . 0 0 "[ . 1 . 2]" 1
352 1 65 VAL H 1 85 ILE MD . . 4.420 4.294 4.054 4.440 0.020 9 0 "[ . 1 . 2]" 1
353 1 65 VAL HA 1 65 VAL MG2 . . 3.160 2.346 2.181 2.489 . 0 0 "[ . 1 . 2]" 1
354 1 65 VAL HA 1 66 LYS H . . 3.510 2.290 2.182 2.460 . 0 0 "[ . 1 . 2]" 1
355 1 65 VAL HB 1 81 THR HA . . 3.890 2.542 1.993 3.168 . 0 0 "[ . 1 . 2]" 1
356 1 65 VAL HB 1 82 GLY H . . 4.550 2.421 2.006 2.749 . 0 0 "[ . 1 . 2]" 1
357 1 65 VAL HB 1 83 ASP H . . 3.880 2.920 1.947 3.594 . 0 0 "[ . 1 . 2]" 1
358 1 65 VAL MG1 1 66 LYS H . . 3.850 2.262 1.866 3.408 . 0 0 "[ . 1 . 2]" 1
359 1 65 VAL MG1 1 67 GLN H . . 3.520 2.751 2.223 3.209 . 0 0 "[ . 1 . 2]" 1
360 1 65 VAL MG1 1 81 THR HA . . 3.210 2.116 1.957 2.407 . 0 0 "[ . 1 . 2]" 1
361 1 65 VAL MG1 1 81 THR HB . . 4.010 3.991 3.864 4.058 0.048 18 0 "[ . 1 . 2]" 1
362 1 65 VAL MG1 1 81 THR MG . . 3.270 2.858 2.342 3.304 0.034 14 0 "[ . 1 . 2]" 1
363 1 65 VAL MG1 1 82 GLY H . . 4.120 3.277 2.948 3.630 . 0 0 "[ . 1 . 2]" 1
364 1 65 VAL MG2 1 79 LEU MD2 . . 2.820 2.143 1.791 2.836 0.016 9 0 "[ . 1 . 2]" 1
365 1 65 VAL MG2 1 79 LEU HG . . 3.300 2.953 2.558 3.212 . 0 0 "[ . 1 . 2]" 1
366 1 65 VAL MG2 1 83 ASP H . . 3.910 3.367 2.653 3.866 . 0 0 "[ . 1 . 2]" 1
367 1 65 VAL MG2 1 83 ASP HB3 . . 3.470 3.329 2.965 3.728 0.258 18 0 "[ . 1 . 2]" 1
368 1 66 LYS H 1 67 GLN H . . 3.910 2.333 1.901 2.998 . 0 0 "[ . 1 . 2]" 1
369 1 66 LYS HA 1 66 LYS HD3 . . 5.500 3.980 2.375 4.876 . 0 0 "[ . 1 . 2]" 1
370 1 66 LYS HA 1 66 LYS HG3 . . 3.910 3.100 2.642 3.450 . 0 0 "[ . 1 . 2]" 1
371 1 66 LYS HB3 1 67 GLN H . . 4.220 2.536 2.088 3.019 . 0 0 "[ . 1 . 2]" 1
372 1 66 LYS HD3 1 67 GLN H . . 4.810 4.211 2.770 5.145 0.335 20 0 "[ . 1 . 2]" 1
373 1 66 LYS HD3 1 67 GLN HB3 . . 4.440 4.944 3.087 6.434 1.994 4 9 "[ *+.-** * ** . *]" 1
374 1 67 GLN H 1 67 GLN HB3 . . 3.870 3.567 3.038 3.854 . 0 0 "[ . 1 . 2]" 1
375 1 67 GLN H 1 67 GLN HG3 . . 4.570 3.769 2.470 4.362 . 0 0 "[ . 1 . 2]" 1
376 1 67 GLN H 1 68 VAL H . . 5.080 4.410 4.359 4.458 . 0 0 "[ . 1 . 2]" 1
377 1 67 GLN H 1 68 VAL MG2 . . 4.120 4.010 3.651 4.126 0.006 1 0 "[ . 1 . 2]" 1
378 1 67 GLN HA 1 68 VAL H . . 3.150 2.575 2.474 2.718 . 0 0 "[ . 1 . 2]" 1
379 1 67 GLN HB3 1 68 VAL H . . 4.210 2.741 2.082 3.999 . 0 0 "[ . 1 . 2]" 1
380 1 68 VAL H 1 68 VAL HB . . 3.530 2.654 2.554 2.898 . 0 0 "[ . 1 . 2]" 1
381 1 68 VAL H 1 68 VAL MG1 . . 4.630 3.772 3.709 3.850 . 0 0 "[ . 1 . 2]" 1
382 1 68 VAL H 1 68 VAL MG2 . . 3.900 3.228 3.038 3.481 . 0 0 "[ . 1 . 2]" 1
383 1 68 VAL H 1 69 LYS H . . 5.080 4.112 3.922 4.286 . 0 0 "[ . 1 . 2]" 1
384 1 68 VAL HA 1 68 VAL MG1 . . 3.420 2.513 2.442 2.580 . 0 0 "[ . 1 . 2]" 1
385 1 68 VAL HA 1 68 VAL MG2 . . 3.360 2.201 2.074 2.302 . 0 0 "[ . 1 . 2]" 1
386 1 68 VAL HA 1 69 LYS H . . 3.430 2.188 2.181 2.211 . 0 0 "[ . 1 . 2]" 1
387 1 68 VAL HA 1 74 ALA MB . . 4.190 3.654 3.361 3.973 . 0 0 "[ . 1 . 2]" 1
388 1 68 VAL HB 1 69 LYS H . . 4.830 4.472 4.317 4.575 . 0 0 "[ . 1 . 2]" 1
389 1 68 VAL MG1 1 69 LYS H . . 3.820 2.813 2.405 3.053 . 0 0 "[ . 1 . 2]" 1
390 1 68 VAL MG1 1 69 LYS HB3 . . 4.110 4.080 3.912 4.189 0.079 10 0 "[ . 1 . 2]" 1
391 1 68 VAL MG1 1 72 GLY H . . 5.040 4.244 3.927 4.483 . 0 0 "[ . 1 . 2]" 1
392 1 68 VAL MG1 1 74 ALA H . . 4.910 4.678 4.193 4.914 0.004 8 0 "[ . 1 . 2]" 1
393 1 68 VAL MG1 1 74 ALA MB . . 3.050 2.649 2.261 2.994 . 0 0 "[ . 1 . 2]" 1
394 1 68 VAL MG1 1 75 PHE H . . 3.370 2.770 2.354 3.115 . 0 0 "[ . 1 . 2]" 1
395 1 68 VAL MG1 1 75 PHE HA . . 3.100 2.198 1.829 2.475 . 0 0 "[ . 1 . 2]" 1
396 1 68 VAL MG1 1 75 PHE HB3 . . 3.640 3.473 3.024 3.652 0.012 19 0 "[ . 1 . 2]" 1
397 1 68 VAL MG1 1 75 PHE QD . . 3.460 2.888 2.103 3.370 . 0 0 "[ . 1 . 2]" 1
398 1 68 VAL MG1 1 76 GLU H . . 4.900 4.728 4.310 4.910 0.010 11 0 "[ . 1 . 2]" 1
399 1 68 VAL MG1 1 79 LEU HB3 . . 3.760 3.024 2.597 3.510 . 0 0 "[ . 1 . 2]" 1
400 1 68 VAL MG1 1 79 LEU MD2 . . 4.150 3.805 3.347 4.156 0.006 9 0 "[ . 1 . 2]" 1
401 1 68 VAL MG2 1 69 LYS H . . 4.040 3.998 3.868 4.061 0.021 13 0 "[ . 1 . 2]" 1
402 1 68 VAL MG2 1 74 ALA MB . . 3.110 2.942 2.705 3.121 0.011 17 0 "[ . 1 . 2]" 1
403 1 68 VAL MG2 1 75 PHE HA . . 4.150 3.958 3.589 4.146 . 0 0 "[ . 1 . 2]" 1
404 1 68 VAL MG2 1 79 LEU HB3 . . 3.560 2.503 2.128 3.143 . 0 0 "[ . 1 . 2]" 1
405 1 68 VAL MG2 1 79 LEU MD2 . . 3.330 2.692 2.211 3.233 . 0 0 "[ . 1 . 2]" 1
406 1 68 VAL MG2 1 80 CYS H . . 3.590 3.101 2.541 3.598 0.008 9 0 "[ . 1 . 2]" 1
407 1 68 VAL MG2 1 81 THR H . . 3.770 3.672 3.433 3.790 0.020 18 0 "[ . 1 . 2]" 1
408 1 69 LYS H 1 69 LYS HG3 . . 3.960 4.132 3.947 4.478 0.518 16 1 "[ . 1 .+ 2]" 1
409 1 69 LYS H 1 74 ALA MB . . 4.670 3.898 3.462 4.161 . 0 0 "[ . 1 . 2]" 1
410 1 69 LYS H 1 75 PHE H . . 5.120 4.563 4.242 5.066 . 0 0 "[ . 1 . 2]" 1
411 1 69 LYS HA 1 69 LYS HG3 . . 3.420 2.995 2.129 3.580 0.160 16 0 "[ . 1 . 2]" 1
412 1 69 LYS HB3 1 72 GLY H . . 4.520 3.530 2.675 4.522 0.002 17 0 "[ . 1 . 2]" 1
413 1 70 GLU HA 1 70 GLU HG3 . . 3.530 2.693 2.129 3.333 . 0 0 "[ . 1 . 2]" 1
414 1 70 GLU HA 1 71 GLY H . . 3.250 2.302 2.245 2.427 . 0 0 "[ . 1 . 2]" 1
415 1 70 GLU HA 1 71 GLY HA2 . . 4.170 4.361 4.350 4.386 0.216 20 0 "[ . 1 . 2]" 1
416 1 70 GLU HA 1 71 GLY HA3 . . 4.240 4.420 4.404 4.443 0.203 10 0 "[ . 1 . 2]" 1
417 1 70 GLU HA 1 72 GLY H . . 4.380 3.867 3.645 4.136 . 0 0 "[ . 1 . 2]" 1
418 1 70 GLU HA 1 75 PHE QD . . 3.920 3.704 3.445 3.881 . 0 0 "[ . 1 . 2]" 1
419 1 70 GLU HB3 1 71 GLY H . . 4.840 4.398 4.221 4.516 . 0 0 "[ . 1 . 2]" 1
420 1 71 GLY H 1 72 GLY H . . 4.180 1.945 1.892 2.041 . 0 0 "[ . 1 . 2]" 1
421 1 71 GLY H 1 75 PHE HB3 . . 4.960 2.807 2.513 2.998 . 0 0 "[ . 1 . 2]" 1
422 1 71 GLY H 1 75 PHE QD . . 4.080 2.590 2.205 3.072 . 0 0 "[ . 1 . 2]" 1
423 1 71 GLY H 1 75 PHE QE . . 5.030 3.765 3.586 4.137 . 0 0 "[ . 1 . 2]" 1
424 1 71 GLY HA2 1 75 PHE QD . . 4.160 2.351 2.013 2.879 . 0 0 "[ . 1 . 2]" 1
425 1 72 GLY H 1 75 PHE H . . 4.690 3.603 3.439 3.812 . 0 0 "[ . 1 . 2]" 1
426 1 72 GLY H 1 75 PHE HB3 . . 4.070 2.076 1.951 2.365 . 0 0 "[ . 1 . 2]" 1
427 1 72 GLY H 1 75 PHE QD . . 4.660 2.693 2.395 3.004 . 0 0 "[ . 1 . 2]" 1
428 1 72 GLY H 1 75 PHE QE . . 4.750 4.703 4.522 4.819 0.069 20 0 "[ . 1 . 2]" 1
429 1 72 GLY H 1 76 GLU H . . 5.140 4.230 3.969 4.632 . 0 0 "[ . 1 . 2]" 1
430 1 72 GLY HA2 1 73 PRO HD3 . . 3.840 2.574 2.415 2.725 . 0 0 "[ . 1 . 2]" 1
431 1 73 PRO HA 1 76 GLU H . . 4.500 3.433 3.216 3.584 . 0 0 "[ . 1 . 2]" 1
432 1 73 PRO HA 1 76 GLU HG3 . . 4.220 3.102 2.664 3.298 . 0 0 "[ . 1 . 2]" 1
433 1 73 PRO HB3 1 74 ALA H . . 4.150 3.869 3.758 4.172 0.022 4 0 "[ . 1 . 2]" 1
434 1 73 PRO HD3 1 74 ALA H . . 4.820 3.871 3.681 3.961 . 0 0 "[ . 1 . 2]" 1
435 1 73 PRO HG3 1 74 ALA H . . 4.740 3.766 3.698 4.022 . 0 0 "[ . 1 . 2]" 1
436 1 74 ALA H 1 74 ALA MB . . 3.090 2.044 1.943 2.167 . 0 0 "[ . 1 . 2]" 1
437 1 74 ALA H 1 75 PHE H . . 3.870 2.926 2.642 3.065 . 0 0 "[ . 1 . 2]" 1
438 1 74 ALA H 1 77 ALA MB . . 4.900 4.296 3.928 4.598 . 0 0 "[ . 1 . 2]" 1
439 1 74 ALA HA 1 77 ALA H . . 4.200 3.404 3.252 3.542 . 0 0 "[ . 1 . 2]" 1
440 1 74 ALA HA 1 77 ALA MB . . 3.310 2.410 2.272 2.561 . 0 0 "[ . 1 . 2]" 1
441 1 74 ALA HA 1 79 LEU MD1 . . 4.030 4.014 3.836 4.070 0.040 20 0 "[ . 1 . 2]" 1
442 1 74 ALA MB 1 75 PHE H . . 3.510 2.475 2.179 2.786 . 0 0 "[ . 1 . 2]" 1
443 1 74 ALA MB 1 76 GLU H . . 5.030 4.541 4.212 4.789 . 0 0 "[ . 1 . 2]" 1
444 1 74 ALA MB 1 77 ALA H . . 4.600 4.644 4.608 4.700 0.100 10 0 "[ . 1 . 2]" 1
445 1 74 ALA MB 1 79 LEU H . . 4.500 3.903 3.628 4.108 . 0 0 "[ . 1 . 2]" 1
446 1 74 ALA MB 1 79 LEU HB3 . . 3.170 2.370 1.974 2.727 . 0 0 "[ . 1 . 2]" 1
447 1 74 ALA MB 1 79 LEU MD1 . . 3.530 3.514 3.302 3.582 0.052 18 0 "[ . 1 . 2]" 1
448 1 74 ALA MB 1 79 LEU MD2 . . 3.190 1.980 1.824 2.160 . 0 0 "[ . 1 . 2]" 1
449 1 75 PHE H 1 75 PHE HB3 . . 3.890 2.195 2.099 2.395 . 0 0 "[ . 1 . 2]" 1
450 1 75 PHE H 1 75 PHE QD . . 4.310 4.041 3.985 4.093 . 0 0 "[ . 1 . 2]" 1
451 1 75 PHE H 1 76 GLU H . . 3.880 2.915 2.719 3.059 . 0 0 "[ . 1 . 2]" 1
452 1 75 PHE HA 1 75 PHE QD . . 3.560 2.641 2.523 2.855 . 0 0 "[ . 1 . 2]" 1
453 1 75 PHE HA 1 78 GLY H . . 4.180 3.827 3.620 4.011 . 0 0 "[ . 1 . 2]" 1
454 1 75 PHE HA 1 79 LEU H . . 4.470 3.785 3.228 4.307 . 0 0 "[ . 1 . 2]" 1
455 1 75 PHE HB3 1 76 GLU H . . 3.980 2.551 2.294 2.792 . 0 0 "[ . 1 . 2]" 1
456 1 75 PHE QD 1 76 GLU H . . 3.960 3.238 2.881 3.808 . 0 0 "[ . 1 . 2]" 1
457 1 75 PHE QD 1 76 GLU HA . . 3.900 3.821 3.443 3.913 0.013 2 0 "[ . 1 . 2]" 1
458 1 75 PHE QD 1 76 GLU HG3 . . 4.060 3.510 3.239 4.043 . 0 0 "[ . 1 . 2]" 1
459 1 76 GLU H 1 76 GLU HG3 . . 3.460 2.925 2.821 3.087 . 0 0 "[ . 1 . 2]" 1
460 1 76 GLU H 1 77 ALA H . . 3.640 2.664 2.475 2.817 . 0 0 "[ . 1 . 2]" 1
461 1 76 GLU H 1 77 ALA MB . . 4.620 4.137 3.913 4.278 . 0 0 "[ . 1 . 2]" 1
462 1 76 GLU H 1 78 GLY H . . 4.640 3.867 3.738 3.980 . 0 0 "[ . 1 . 2]" 1
463 1 76 GLU HA 1 76 GLU HB3 . . 2.900 2.479 2.448 2.507 . 0 0 "[ . 1 . 2]" 1
464 1 76 GLU HA 1 76 GLU HG3 . . 3.610 3.753 3.723 3.793 0.183 19 0 "[ . 1 . 2]" 1
465 1 76 GLU HA 1 78 GLY H . . 4.070 3.679 3.591 3.851 . 0 0 "[ . 1 . 2]" 1
466 1 76 GLU HG3 1 77 ALA H . . 4.320 4.386 4.364 4.435 0.115 10 0 "[ . 1 . 2]" 1
467 1 77 ALA H 1 77 ALA MB . . 2.870 2.025 1.935 2.139 . 0 0 "[ . 1 . 2]" 1
468 1 77 ALA H 1 78 GLY H . . 3.560 2.852 2.712 2.910 . 0 0 "[ . 1 . 2]" 1
469 1 77 ALA H 1 79 LEU H . . 4.430 4.035 3.822 4.137 . 0 0 "[ . 1 . 2]" 1
470 1 77 ALA HA 1 79 LEU H . . 5.170 4.753 4.635 4.948 . 0 0 "[ . 1 . 2]" 1
471 1 77 ALA MB 1 78 GLY H . . 3.990 2.905 2.780 3.103 . 0 0 "[ . 1 . 2]" 1
472 1 77 ALA MB 1 79 LEU H . . 3.890 2.768 2.567 3.087 . 0 0 "[ . 1 . 2]" 1
473 1 78 GLY H 1 79 LEU H . . 3.410 2.034 1.903 2.174 . 0 0 "[ . 1 . 2]" 1
474 1 79 LEU H 1 79 LEU HB3 . . 3.530 2.923 2.779 3.058 . 0 0 "[ . 1 . 2]" 1
475 1 79 LEU H 1 79 LEU MD1 . . 4.130 3.414 3.127 3.746 . 0 0 "[ . 1 . 2]" 1
476 1 79 LEU H 1 79 LEU MD2 . . 4.380 4.265 4.161 4.353 . 0 0 "[ . 1 . 2]" 1
477 1 79 LEU H 1 79 LEU HG . . 4.550 4.413 4.365 4.465 . 0 0 "[ . 1 . 2]" 1
478 1 79 LEU H 1 80 CYS H . . 4.680 4.604 4.450 4.665 . 0 0 "[ . 1 . 2]" 1
479 1 79 LEU HA 1 79 LEU MD1 . . 3.160 2.352 2.053 2.625 . 0 0 "[ . 1 . 2]" 1
480 1 79 LEU HA 1 79 LEU MD2 . . 3.790 3.773 3.738 3.802 0.012 13 0 "[ . 1 . 2]" 1
481 1 79 LEU HA 1 79 LEU HG . . 4.090 2.473 2.371 2.562 . 0 0 "[ . 1 . 2]" 1
482 1 79 LEU HA 1 80 CYS H . . 3.110 2.541 2.293 2.777 . 0 0 "[ . 1 . 2]" 1
483 1 79 LEU HB3 1 79 LEU MD2 . . 3.580 2.136 1.974 2.289 . 0 0 "[ . 1 . 2]" 1
484 1 79 LEU HB3 1 80 CYS H . . 4.110 3.015 2.545 3.532 . 0 0 "[ . 1 . 2]" 1
485 1 79 LEU MD1 1 80 CYS H . . 3.590 3.565 3.375 3.643 0.053 10 0 "[ . 1 . 2]" 1
486 1 79 LEU MD1 1 83 ASP HB3 . . 4.090 3.924 3.514 4.114 0.024 9 0 "[ . 1 . 2]" 1
487 1 79 LEU MD1 1 114 LEU MD1 . . 2.840 2.770 2.519 2.871 0.031 9 0 "[ . 1 . 2]" 1
488 1 79 LEU MD2 1 80 CYS H . . 4.340 3.355 2.699 4.141 . 0 0 "[ . 1 . 2]" 1
489 1 79 LEU MD2 1 114 LEU MD1 . . 3.250 2.663 2.183 2.944 . 0 0 "[ . 1 . 2]" 1
490 1 79 LEU MD2 1 116 VAL MG1 . . 3.730 3.748 3.729 3.778 0.048 19 0 "[ . 1 . 2]" 1
491 1 79 LEU HG 1 80 CYS H . . 3.960 2.125 1.938 2.642 . 0 0 "[ . 1 . 2]" 1
492 1 80 CYS H 1 80 CYS HB3 . . 4.170 3.441 3.101 3.770 . 0 0 "[ . 1 . 2]" 1
493 1 80 CYS H 1 83 ASP HB3 . . 4.750 4.573 3.219 4.896 0.146 18 0 "[ . 1 . 2]" 1
494 1 80 CYS HB3 1 81 THR H . . 3.530 2.348 1.949 3.570 0.040 13 0 "[ . 1 . 2]" 1
495 1 81 THR H 1 81 THR HB . . 3.440 3.243 2.223 3.644 0.204 17 0 "[ . 1 . 2]" 1
496 1 81 THR H 1 81 THR MG . . 3.490 2.900 2.192 3.631 0.141 11 0 "[ . 1 . 2]" 1
497 1 81 THR H 1 82 GLY H . . 4.700 4.520 4.487 4.566 . 0 0 "[ . 1 . 2]" 1
498 1 81 THR HA 1 81 THR MG . . 3.120 2.433 2.181 2.699 . 0 0 "[ . 1 . 2]" 1
499 1 81 THR HA 1 82 GLY H . . 3.140 2.231 2.174 2.403 . 0 0 "[ . 1 . 2]" 1
500 1 81 THR HA 1 83 ASP H . . 4.240 3.356 2.950 3.926 . 0 0 "[ . 1 . 2]" 1
501 1 81 THR HB 1 82 GLY H . . 4.050 3.528 3.227 4.150 0.100 11 0 "[ . 1 . 2]" 1
502 1 81 THR MG 1 82 GLY H . . 4.310 3.539 2.049 4.296 . 0 0 "[ . 1 . 2]" 1
503 1 82 GLY H 1 83 ASP H . . 3.950 2.702 2.343 3.098 . 0 0 "[ . 1 . 2]" 1
504 1 83 ASP H 1 83 ASP HB3 . . 3.920 3.466 2.199 3.586 . 0 0 "[ . 1 . 2]" 1
505 1 83 ASP H 1 84 ARG H . . 5.210 4.592 4.486 4.664 . 0 0 "[ . 1 . 2]" 1
506 1 83 ASP HA 1 116 VAL MG1 . . 4.180 4.177 3.983 4.245 0.065 10 0 "[ . 1 . 2]" 1
507 1 83 ASP HB3 1 84 ARG H . . 4.910 3.253 2.596 4.433 . 0 0 "[ . 1 . 2]" 1
508 1 83 ASP HB3 1 116 VAL HB . . 4.190 2.533 2.043 4.201 0.011 9 0 "[ . 1 . 2]" 1
509 1 83 ASP HB3 1 116 VAL MG1 . . 3.770 2.236 1.965 3.663 . 0 0 "[ . 1 . 2]" 1
510 1 84 ARG H 1 84 ARG HB3 . . 3.650 2.924 2.254 3.657 0.007 15 0 "[ . 1 . 2]" 1
511 1 84 ARG H 1 116 VAL MG1 . . 4.870 3.696 2.934 4.063 . 0 0 "[ . 1 . 2]" 1
512 1 84 ARG H 1 117 MET H . . 4.770 3.504 3.080 4.312 . 0 0 "[ . 1 . 2]" 1
513 1 84 ARG HB3 1 84 ARG HD3 . . 4.150 2.780 2.128 3.886 . 0 0 "[ . 1 . 2]" 1
514 1 85 ILE H 1 85 ILE HB . . 3.650 2.414 2.129 2.583 . 0 0 "[ . 1 . 2]" 1
515 1 85 ILE H 1 85 ILE MD . . 3.920 2.883 2.220 3.325 . 0 0 "[ . 1 . 2]" 1
516 1 85 ILE H 1 85 ILE HG13 . . 4.010 3.767 3.509 4.157 0.147 20 0 "[ . 1 . 2]" 1
517 1 85 ILE H 1 85 ILE MG . . 3.860 3.698 3.506 3.775 . 0 0 "[ . 1 . 2]" 1
518 1 85 ILE H 1 86 ILE MG . . 4.540 4.492 4.322 4.693 0.153 20 0 "[ . 1 . 2]" 1
519 1 85 ILE HA 1 85 ILE MD . . 3.530 2.024 1.938 2.232 . 0 0 "[ . 1 . 2]" 1
520 1 85 ILE HA 1 85 ILE MG . . 3.300 2.455 2.333 2.699 . 0 0 "[ . 1 . 2]" 1
521 1 85 ILE HA 1 86 ILE H . . 3.460 2.214 2.177 2.288 . 0 0 "[ . 1 . 2]" 1
522 1 85 ILE HA 1 86 ILE MG . . 4.210 3.781 3.571 4.073 . 0 0 "[ . 1 . 2]" 1
523 1 85 ILE HA 1 87 LYS H . . 4.560 3.799 3.525 4.017 . 0 0 "[ . 1 . 2]" 1
524 1 85 ILE HA 1 116 VAL HA . . 4.130 3.021 2.687 3.231 . 0 0 "[ . 1 . 2]" 1
525 1 85 ILE HA 1 116 VAL MG1 . . 3.370 2.441 2.145 2.724 . 0 0 "[ . 1 . 2]" 1
526 1 85 ILE HB 1 85 ILE MD . . 3.280 3.024 2.401 3.217 . 0 0 "[ . 1 . 2]" 1
527 1 85 ILE MD 1 86 ILE H . . 4.170 3.792 3.435 4.153 . 0 0 "[ . 1 . 2]" 1
528 1 85 ILE MD 1 114 LEU HB3 . . 3.940 2.782 2.538 3.310 . 0 0 "[ . 1 . 2]" 1
529 1 85 ILE MD 1 114 LEU MD1 . . 3.100 3.071 2.936 3.124 0.024 9 0 "[ . 1 . 2]" 1
530 1 85 ILE MD 1 116 VAL HA . . 4.270 3.755 3.444 3.921 . 0 0 "[ . 1 . 2]" 1
531 1 85 ILE MD 1 116 VAL HB . . 3.870 3.896 3.854 3.958 0.088 9 0 "[ . 1 . 2]" 1
532 1 85 ILE HG13 1 85 ILE MG . . 3.170 2.404 2.344 2.466 . 0 0 "[ . 1 . 2]" 1
533 1 85 ILE MG 1 86 ILE H . . 3.610 2.542 2.231 3.007 . 0 0 "[ . 1 . 2]" 1
534 1 85 ILE MG 1 86 ILE HA . . 3.830 3.790 3.509 3.860 0.030 14 0 "[ . 1 . 2]" 1
535 1 85 ILE MG 1 87 LYS H . . 3.430 2.710 2.482 3.164 . 0 0 "[ . 1 . 2]" 1
536 1 85 ILE MG 1 115 SER H . . 4.160 2.818 2.317 3.191 . 0 0 "[ . 1 . 2]" 1
537 1 86 ILE H 1 86 ILE HB . . 4.030 3.678 3.598 3.750 . 0 0 "[ . 1 . 2]" 1
538 1 86 ILE H 1 86 ILE MD . . 4.070 3.748 3.679 3.850 . 0 0 "[ . 1 . 2]" 1
539 1 86 ILE H 1 86 ILE HG13 . . 4.080 2.739 2.038 3.073 . 0 0 "[ . 1 . 2]" 1
540 1 86 ILE H 1 86 ILE MG . . 3.780 2.932 2.681 3.184 . 0 0 "[ . 1 . 2]" 1
541 1 86 ILE H 1 87 LYS H . . 3.820 1.936 1.855 2.102 . 0 0 "[ . 1 . 2]" 1
542 1 86 ILE H 1 116 VAL HA . . 4.080 3.070 2.848 3.418 . 0 0 "[ . 1 . 2]" 1
543 1 86 ILE H 1 116 VAL MG1 . . 3.810 3.627 3.358 3.832 0.022 10 0 "[ . 1 . 2]" 1
544 1 86 ILE HA 1 86 ILE MG . . 3.130 2.281 2.201 2.365 . 0 0 "[ . 1 . 2]" 1
545 1 86 ILE HB 1 86 ILE MD . . 2.950 2.251 2.062 2.476 . 0 0 "[ . 1 . 2]" 1
546 1 86 ILE HB 1 87 LYS H . . 4.120 3.832 3.615 4.009 . 0 0 "[ . 1 . 2]" 1
547 1 86 ILE MD 1 86 ILE MG . . 2.740 2.080 1.893 2.342 . 0 0 "[ . 1 . 2]" 1
548 1 86 ILE MD 1 87 LYS H . . 4.480 3.885 3.618 4.128 . 0 0 "[ . 1 . 2]" 1
549 1 86 ILE MD 1 87 LYS HE3 . . 4.160 2.041 1.780 2.872 . 0 0 "[ . 1 . 2]" 1
550 1 86 ILE MD 1 115 SER HB3 . . 3.910 3.162 2.234 3.850 . 0 0 "[ . 1 . 2]" 1
551 1 86 ILE MD 1 116 VAL HA . . 4.310 3.374 2.877 3.809 . 0 0 "[ . 1 . 2]" 1
552 1 86 ILE MD 1 117 MET H . . 4.460 4.177 3.442 4.489 0.029 11 0 "[ . 1 . 2]" 1
553 1 86 ILE MD 1 117 MET HB3 . . 4.190 4.117 2.476 4.634 0.444 11 0 "[ . 1 . 2]" 1
554 1 86 ILE MD 1 117 MET ME . . 3.520 2.867 2.247 3.582 0.062 9 0 "[ . 1 . 2]" 1
555 1 86 ILE MD 1 117 MET HG3 . . 4.000 2.523 1.967 3.150 . 0 0 "[ . 1 . 2]" 1
556 1 86 ILE HG13 1 86 ILE MG . . 3.120 3.220 3.196 3.230 0.110 8 0 "[ . 1 . 2]" 1
557 1 86 ILE HG13 1 87 LYS H . . 4.300 2.254 1.941 2.481 . 0 0 "[ . 1 . 2]" 1
558 1 86 ILE HG13 1 115 SER H . . 4.970 4.727 3.825 5.109 0.139 3 0 "[ . 1 . 2]" 1
559 1 86 ILE HG13 1 115 SER HB3 . . 3.660 3.104 1.956 3.635 . 0 0 "[ . 1 . 2]" 1
560 1 86 ILE HG13 1 116 VAL HA . . 4.450 4.174 3.189 4.464 0.014 16 0 "[ . 1 . 2]" 1
561 1 86 ILE MG 1 87 LYS H . . 4.140 4.064 3.908 4.223 0.083 20 0 "[ . 1 . 2]" 1
562 1 86 ILE MG 1 87 LYS HE3 . . 4.050 3.848 3.376 5.378 1.328 20 2 "[ . -1 . +]" 1
563 1 86 ILE MG 1 116 VAL HA . . 4.340 3.067 2.514 3.770 . 0 0 "[ . 1 . 2]" 1
564 1 86 ILE MG 1 117 MET H . . 4.300 3.847 3.380 4.320 0.020 18 0 "[ . 1 . 2]" 1
565 1 86 ILE MG 1 117 MET ME . . 4.080 3.947 3.145 4.117 0.037 20 0 "[ . 1 . 2]" 1
566 1 86 ILE MG 1 117 MET HG3 . . 4.050 2.205 1.874 2.800 . 0 0 "[ . 1 . 2]" 1
567 1 87 LYS H 1 88 VAL H . . 4.960 4.435 4.377 4.472 . 0 0 "[ . 1 . 2]" 1
568 1 87 LYS H 1 115 SER H . . 3.860 3.281 2.792 3.629 . 0 0 "[ . 1 . 2]" 1
569 1 87 LYS H 1 115 SER HB3 . . 4.130 3.638 1.931 4.136 0.006 2 0 "[ . 1 . 2]" 1
570 1 87 LYS H 1 116 VAL HA . . 4.860 4.545 4.313 4.875 0.015 16 0 "[ . 1 . 2]" 1
571 1 87 LYS HA 1 87 LYS HG3 . . 3.850 2.396 2.241 2.580 . 0 0 "[ . 1 . 2]" 1
572 1 87 LYS HA 1 88 VAL H . . 3.470 2.451 2.331 2.504 . 0 0 "[ . 1 . 2]" 1
573 1 87 LYS HA 1 88 VAL MG2 . . 3.920 3.466 3.090 3.944 0.024 3 0 "[ . 1 . 2]" 1
574 1 87 LYS HA 1 91 GLU H . . 4.950 4.669 4.468 4.934 . 0 0 "[ . 1 . 2]" 1
575 1 87 LYS HA 1 92 SER HA . . 3.940 2.988 2.003 3.815 . 0 0 "[ . 1 . 2]" 1
576 1 87 LYS HA 1 93 VAL H . . 4.310 2.780 2.055 3.518 . 0 0 "[ . 1 . 2]" 1
577 1 87 LYS HA 1 93 VAL MG1 . . 3.760 2.796 1.973 3.750 . 0 0 "[ . 1 . 2]" 1
578 1 87 LYS HA 1 93 VAL MG2 . . 3.960 3.095 2.132 3.952 . 0 0 "[ . 1 . 2]" 1
579 1 87 LYS HB3 1 87 LYS HE3 . . 4.030 4.828 3.858 5.030 1.000 11 18 "[*-****** *+********2]" 1
580 1 87 LYS HB3 1 88 VAL H . . 4.400 2.545 2.451 2.838 . 0 0 "[ . 1 . 2]" 1
581 1 87 LYS HB3 1 115 SER H . . 4.850 5.576 5.251 5.847 0.997 4 17 "[* *+****-* ********2]" 1
582 1 87 LYS HB3 1 115 SER HB3 . . 3.850 4.576 3.601 4.930 1.080 10 18 "[******** +***-*****2]" 1
583 1 87 LYS HD3 1 115 SER HB3 . . 4.310 3.978 2.403 4.374 0.064 8 0 "[ . 1 . 2]" 1
584 1 87 LYS HG3 1 93 VAL H . . 4.800 3.711 3.018 4.652 . 0 0 "[ . 1 . 2]" 1
585 1 88 VAL H 1 88 VAL HB . . 3.930 2.779 2.524 2.910 . 0 0 "[ . 1 . 2]" 1
586 1 88 VAL H 1 88 VAL MG2 . . 3.740 3.142 2.646 3.498 . 0 0 "[ . 1 . 2]" 1
587 1 88 VAL H 1 91 GLU H . . 4.030 2.586 2.337 2.833 . 0 0 "[ . 1 . 2]" 1
588 1 88 VAL H 1 93 VAL H . . 5.240 4.167 3.402 4.651 . 0 0 "[ . 1 . 2]" 1
589 1 88 VAL H 1 93 VAL MG1 . . 3.710 3.173 2.540 3.713 0.003 18 0 "[ . 1 . 2]" 1
590 1 88 VAL HA 1 88 VAL MG1 . . 3.230 2.500 2.337 2.612 . 0 0 "[ . 1 . 2]" 1
591 1 88 VAL HA 1 88 VAL MG2 . . 3.270 2.277 2.051 2.489 . 0 0 "[ . 1 . 2]" 1
592 1 88 VAL HA 1 89 ASN H . . 3.430 2.375 2.180 3.404 . 0 0 "[ . 1 . 2]" 1
593 1 88 VAL HA 1 114 LEU HA . . 4.180 2.524 1.946 3.025 . 0 0 "[ . 1 . 2]" 1
594 1 88 VAL HA 1 114 LEU MD2 . . 3.460 2.883 2.316 3.460 . 0 0 "[ . 1 . 2]" 1
595 1 88 VAL HA 1 115 SER H . . 5.050 4.146 3.476 4.531 . 0 0 "[ . 1 . 2]" 1
596 1 88 VAL HB 1 91 GLU H . . 5.140 4.010 3.229 4.755 . 0 0 "[ . 1 . 2]" 1
597 1 88 VAL MG1 1 89 ASN H . . 3.660 2.736 1.847 3.354 . 0 0 "[ . 1 . 2]" 1
598 1 88 VAL MG1 1 89 ASN HB3 . . 4.120 4.001 3.131 4.299 0.179 9 0 "[ . 1 . 2]" 1
599 1 88 VAL MG1 1 89 ASN HD21 . . 3.860 3.089 2.266 3.884 0.024 4 0 "[ . 1 . 2]" 1
600 1 88 VAL MG1 1 89 ASN HD22 . . 4.070 3.163 1.784 4.085 0.015 6 0 "[ . 1 . 2]" 1
601 1 88 VAL MG1 1 91 GLU H . . 4.780 4.310 3.929 4.685 . 0 0 "[ . 1 . 2]" 1
602 1 88 VAL MG1 1 104 LEU HA . . 4.320 4.214 3.756 4.341 0.021 17 0 "[ . 1 . 2]" 1
603 1 88 VAL MG1 1 104 LEU HB3 . . 3.270 2.276 1.902 2.636 . 0 0 "[ . 1 . 2]" 1
604 1 88 VAL MG1 1 105 ILE HA . . 3.700 3.541 3.187 3.706 0.006 10 0 "[ . 1 . 2]" 1
605 1 88 VAL MG1 1 105 ILE HG13 . . 3.860 2.394 1.886 3.001 . 0 0 "[ . 1 . 2]" 1
606 1 88 VAL MG1 1 113 GLU H . . 4.810 4.404 3.342 4.809 . 0 0 "[ . 1 . 2]" 1
607 1 88 VAL MG2 1 89 ASN H . . 4.130 3.954 3.522 4.161 0.031 6 0 "[ . 1 . 2]" 1
608 1 88 VAL MG2 1 114 LEU HA . . 4.010 3.184 2.587 3.800 . 0 0 "[ . 1 . 2]" 1
609 1 89 ASN H 1 90 GLY H . . 4.350 2.922 2.511 3.833 . 0 0 "[ . 1 . 2]" 1
610 1 89 ASN H 1 91 GLU H . . 5.280 4.045 3.394 4.669 . 0 0 "[ . 1 . 2]" 1
611 1 89 ASN H 1 112 LEU MD2 . . 4.030 3.471 3.139 4.023 . 0 0 "[ . 1 . 2]" 1
612 1 89 ASN H 1 113 GLU H . . 4.430 3.802 3.088 4.487 0.057 11 0 "[ . 1 . 2]" 1
613 1 89 ASN H 1 113 GLU HB3 . . 4.010 3.126 2.319 4.117 0.107 8 0 "[ . 1 . 2]" 1
614 1 89 ASN H 1 114 LEU HA . . 4.780 3.670 2.901 4.924 0.144 9 0 "[ . 1 . 2]" 1
615 1 89 ASN HA 1 91 GLU H . . 4.860 4.427 4.060 4.866 0.006 20 0 "[ . 1 . 2]" 1
616 1 89 ASN HA 1 113 GLU H . . 4.400 3.441 2.950 3.830 . 0 0 "[ . 1 . 2]" 1
617 1 89 ASN HA 1 113 GLU HB3 . . 3.510 2.321 1.915 3.286 . 0 0 "[ . 1 . 2]" 1
618 1 89 ASN HB3 1 89 ASN HD22 . . 4.130 3.736 3.445 3.960 . 0 0 "[ . 1 . 2]" 1
619 1 89 ASN HB3 1 90 GLY H . . 5.320 4.498 4.249 4.741 . 0 0 "[ . 1 . 2]" 1
620 1 89 ASN HD21 1 112 LEU MD2 . . 4.020 3.084 1.890 3.825 . 0 0 "[ . 1 . 2]" 1
621 1 89 ASN HD22 1 108 SER H . . 4.760 4.406 3.749 4.786 0.026 4 0 "[ . 1 . 2]" 1
622 1 89 ASN HD22 1 108 SER HA . . 5.180 2.760 1.967 3.816 . 0 0 "[ . 1 . 2]" 1
623 1 89 ASN HD22 1 112 LEU MD2 . . 3.560 2.316 1.751 3.003 . 0 0 "[ . 1 . 2]" 1
624 1 89 ASN HD22 1 113 GLU H . . 4.920 4.095 2.426 4.936 0.016 13 0 "[ . 1 . 2]" 1
625 1 90 GLY H 1 91 GLU H . . 3.970 2.697 2.311 3.052 . 0 0 "[ . 1 . 2]" 1
626 1 90 GLY H 1 113 GLU HB3 . . 4.530 4.075 3.136 4.589 0.059 11 0 "[ . 1 . 2]" 1
627 1 91 GLU H 1 91 GLU HB3 . . 3.450 3.171 2.942 3.473 0.023 12 0 "[ . 1 . 2]" 1
628 1 91 GLU HA 1 91 GLU HG3 . . 3.840 3.336 2.001 3.603 . 0 0 "[ . 1 . 2]" 1
629 1 91 GLU HG3 1 104 LEU QD . . 4.020 2.493 1.992 3.614 . 0 0 "[ . 1 . 2]" 1
630 1 92 SER HA 1 94 ILE H . . 4.650 3.838 3.162 4.317 . 0 0 "[ . 1 . 2]" 1
631 1 92 SER HB3 1 93 VAL H . . 5.230 3.916 2.995 4.664 . 0 0 "[ . 1 . 2]" 1
632 1 92 SER HB3 1 94 ILE H . . 4.490 3.625 2.585 4.458 . 0 0 "[ . 1 . 2]" 1
633 1 93 VAL H 1 93 VAL MG1 . . 3.760 2.328 1.959 2.769 . 0 0 "[ . 1 . 2]" 1
634 1 93 VAL H 1 93 VAL MG2 . . 3.440 2.265 2.013 3.353 . 0 0 "[ . 1 . 2]" 1
635 1 93 VAL H 1 94 ILE H . . 3.960 2.889 2.040 3.551 . 0 0 "[ . 1 . 2]" 1
636 1 93 VAL H 1 94 ILE MD . . 5.050 4.008 2.312 5.043 . 0 0 "[ . 1 . 2]" 1
637 1 93 VAL HA 1 93 VAL MG1 . . 3.190 2.424 2.343 2.566 . 0 0 "[ . 1 . 2]" 1
638 1 93 VAL HA 1 96 LYS HD3 . . 4.130 3.665 3.292 3.948 . 0 0 "[ . 1 . 2]" 1
639 1 93 VAL HA 1 96 LYS HG3 . . 3.660 3.027 2.172 3.671 0.011 3 0 "[ . 1 . 2]" 1
640 1 93 VAL HA 1 101 VAL MG1 . . 3.760 2.990 2.134 3.652 . 0 0 "[ . 1 . 2]" 1
641 1 93 VAL HB 1 101 VAL MG1 . . 3.280 1.966 1.773 2.669 . 0 0 "[ . 1 . 2]" 1
642 1 93 VAL HB 1 101 VAL MG2 . . 4.050 3.960 3.403 4.136 0.086 4 0 "[ . 1 . 2]" 1
643 1 93 VAL MG2 1 94 ILE H . . 4.380 3.389 2.185 3.979 . 0 0 "[ . 1 . 2]" 1
644 1 93 VAL MG2 1 94 ILE HA . . 4.360 3.536 2.884 3.934 . 0 0 "[ . 1 . 2]" 1
645 1 94 ILE H 1 94 ILE HB . . 3.260 2.363 2.186 2.511 . 0 0 "[ . 1 . 2]" 1
646 1 94 ILE H 1 94 ILE MD . . 3.820 3.145 1.845 3.850 0.030 19 0 "[ . 1 . 2]" 1
647 1 94 ILE H 1 94 ILE HG13 . . 3.590 3.233 2.432 3.796 0.206 19 0 "[ . 1 . 2]" 1
648 1 94 ILE H 1 94 ILE MG . . 3.670 3.703 3.623 3.791 0.121 19 0 "[ . 1 . 2]" 1
649 1 94 ILE HA 1 94 ILE MD . . 3.520 2.689 1.936 3.776 0.256 9 0 "[ . 1 . 2]" 1
650 1 94 ILE HA 1 94 ILE HG13 . . 4.000 3.200 2.232 3.779 . 0 0 "[ . 1 . 2]" 1
651 1 94 ILE HA 1 94 ILE MG . . 3.140 2.442 2.310 2.574 . 0 0 "[ . 1 . 2]" 1
652 1 94 ILE HA 1 95 GLY H . . 3.530 2.630 2.177 3.639 0.109 6 0 "[ . 1 . 2]" 1
653 1 94 ILE HA 1 96 LYS H . . 4.200 3.908 3.319 4.217 0.017 20 0 "[ . 1 . 2]" 1
654 1 94 ILE HB 1 94 ILE MD . . 3.150 2.754 1.964 3.203 0.053 12 0 "[ . 1 . 2]" 1
655 1 94 ILE HG13 1 94 ILE MG . . 3.170 2.657 2.261 3.225 0.055 9 0 "[ . 1 . 2]" 1
656 1 94 ILE MG 1 95 GLY H . . 3.760 3.152 2.591 3.698 . 0 0 "[ . 1 . 2]" 1
657 1 94 ILE MG 1 95 GLY HA2 . . 3.960 3.869 3.498 4.241 0.281 4 0 "[ . 1 . 2]" 1
658 1 95 GLY H 1 96 LYS H . . 3.850 2.697 1.903 3.287 . 0 0 "[ . 1 . 2]" 1
659 1 96 LYS H 1 96 LYS HD3 . . 4.620 4.956 4.501 5.486 0.866 3 9 "[ +*.*- ** . * **]" 1
660 1 96 LYS H 1 96 LYS HG3 . . 3.490 2.703 2.074 3.435 . 0 0 "[ . 1 . 2]" 1
661 1 96 LYS H 1 97 THR H . . 4.650 4.573 4.451 4.673 0.023 18 0 "[ . 1 . 2]" 1
662 1 96 LYS HB3 1 97 THR H . . 3.540 2.671 2.006 3.459 . 0 0 "[ . 1 . 2]" 1
663 1 96 LYS HB3 1 100 GLN HB3 . . 4.160 2.511 2.008 3.106 . 0 0 "[ . 1 . 2]" 1
664 1 96 LYS HB3 1 101 VAL MG1 . . 3.210 2.594 1.967 2.986 . 0 0 "[ . 1 . 2]" 1
665 1 96 LYS HD3 1 96 LYS HG3 . . 3.030 3.030 2.983 3.057 0.027 10 0 "[ . 1 . 2]" 1
666 1 96 LYS HD3 1 101 VAL MG1 . . 3.940 2.957 1.998 3.983 0.043 4 0 "[ . 1 . 2]" 1
667 1 96 LYS HD3 1 104 LEU QD . . 3.690 2.633 1.875 3.313 . 0 0 "[ . 1 . 2]" 1
668 1 96 LYS HE3 1 104 LEU QD . . 3.350 3.254 2.328 4.193 0.843 7 3 "[ - . + 1 * 2]" 1
669 1 97 THR H 1 97 THR MG . . 2.920 2.156 1.863 2.711 . 0 0 "[ . 1 . 2]" 1
670 1 97 THR H 1 100 GLN H . . 4.270 3.300 2.722 3.863 . 0 0 "[ . 1 . 2]" 1
671 1 97 THR H 1 100 GLN HA . . 5.140 4.852 4.562 5.144 0.004 20 0 "[ . 1 . 2]" 1
672 1 97 THR H 1 100 GLN HB3 . . 3.870 3.487 3.102 3.905 0.035 3 0 "[ . 1 . 2]" 1
673 1 97 THR H 1 101 VAL H . . 4.860 4.015 3.635 4.335 . 0 0 "[ . 1 . 2]" 1
674 1 97 THR H 1 101 VAL MG1 . . 4.720 4.230 3.851 4.646 . 0 0 "[ . 1 . 2]" 1
675 1 97 THR HB 1 100 GLN H . . 5.100 4.744 4.245 5.121 0.021 11 0 "[ . 1 . 2]" 1
676 1 97 THR MG 1 98 TYR H . . 4.290 3.497 2.180 4.056 . 0 0 "[ . 1 . 2]" 1
677 1 97 THR MG 1 99 SER H . . 4.240 2.716 1.943 3.485 . 0 0 "[ . 1 . 2]" 1
678 1 97 THR MG 1 99 SER HB3 . . 3.810 3.118 2.114 4.427 0.617 14 1 "[ . 1 +. 2]" 1
679 1 97 THR MG 1 100 GLN H . . 3.430 2.153 1.844 2.851 . 0 0 "[ . 1 . 2]" 1
680 1 97 THR MG 1 100 GLN HB3 . . 4.180 4.005 3.466 5.100 0.920 11 2 "[ - . 1+ . 2]" 1
681 1 98 TYR H 1 98 TYR HB3 . . 4.110 2.760 2.171 3.728 . 0 0 "[ . 1 . 2]" 1
682 1 98 TYR H 1 98 TYR QD . . 4.420 4.074 3.863 4.385 . 0 0 "[ . 1 . 2]" 1
683 1 98 TYR H 1 99 SER H . . 4.280 3.258 2.488 4.123 . 0 0 "[ . 1 . 2]" 1
684 1 98 TYR HA 1 98 TYR QD . . 3.580 2.424 2.095 3.048 . 0 0 "[ . 1 . 2]" 1
685 1 98 TYR HA 1 101 VAL H . . 4.370 3.670 3.426 3.872 . 0 0 "[ . 1 . 2]" 1
686 1 98 TYR HA 1 101 VAL MG1 . . 4.040 3.729 3.235 3.920 . 0 0 "[ . 1 . 2]" 1
687 1 98 TYR HA 1 101 VAL MG2 . . 4.340 1.932 1.834 2.088 . 0 0 "[ . 1 . 2]" 1
688 1 98 TYR HB3 1 99 SER H . . 4.020 2.144 1.877 2.793 . 0 0 "[ . 1 . 2]" 1
689 1 98 TYR QD 1 99 SER H . . 4.210 3.264 2.155 4.160 . 0 0 "[ . 1 . 2]" 1
690 1 98 TYR QD 1 99 SER HA . . 4.230 3.790 3.210 4.231 0.001 3 0 "[ . 1 . 2]" 1
691 1 98 TYR QD 1 102 ILE MD . . 4.130 3.590 3.246 4.012 . 0 0 "[ . 1 . 2]" 1
692 1 98 TYR QD 1 102 ILE HG13 . . 3.870 3.319 2.371 3.829 . 0 0 "[ . 1 . 2]" 1
693 1 98 TYR QE 1 102 ILE MD . . 3.670 2.511 2.030 3.111 . 0 0 "[ . 1 . 2]" 1
694 1 98 TYR QE 1 102 ILE HG13 . . 3.640 3.259 2.922 3.660 0.020 3 0 "[ . 1 . 2]" 1
695 1 99 SER H 1 100 GLN H . . 3.880 2.844 2.446 3.082 . 0 0 "[ . 1 . 2]" 1
696 1 99 SER HA 1 102 ILE H . . 4.280 3.622 3.278 3.828 . 0 0 "[ . 1 . 2]" 1
697 1 99 SER HA 1 102 ILE HB . . 3.630 2.322 2.086 2.700 . 0 0 "[ . 1 . 2]" 1
698 1 99 SER HA 1 102 ILE MD . . 4.740 4.366 4.108 4.735 . 0 0 "[ . 1 . 2]" 1
699 1 99 SER HA 1 102 ILE HG13 . . 4.130 2.874 2.483 3.357 . 0 0 "[ . 1 . 2]" 1
700 1 99 SER HA 1 102 ILE MG . . 3.750 3.368 3.136 3.742 . 0 0 "[ . 1 . 2]" 1
701 1 99 SER HA 1 103 ALA H . . 4.810 4.269 3.762 4.654 . 0 0 "[ . 1 . 2]" 1
702 1 99 SER HB3 1 100 GLN H . . 3.730 3.233 2.439 4.371 0.641 3 3 "[ + . 1 -. * 2]" 1
703 1 99 SER HB3 1 100 GLN HG3 . . 4.350 4.754 3.602 6.565 2.215 18 7 "[ * .* * * *. +-2]" 1
704 1 100 GLN H 1 100 GLN HB3 . . 3.920 3.451 3.321 3.560 . 0 0 "[ . 1 . 2]" 1
705 1 100 GLN H 1 100 GLN HG3 . . 3.640 3.059 2.493 3.653 0.013 10 0 "[ . 1 . 2]" 1
706 1 100 GLN H 1 101 VAL H . . 3.810 2.901 2.515 3.143 . 0 0 "[ . 1 . 2]" 1
707 1 100 GLN H 1 101 VAL MG1 . . 4.670 4.459 3.925 4.723 0.053 4 0 "[ . 1 . 2]" 1
708 1 100 GLN H 1 102 ILE H . . 4.980 3.785 3.460 4.035 . 0 0 "[ . 1 . 2]" 1
709 1 100 GLN H 1 103 ALA MB . . 5.160 4.994 4.606 5.194 0.034 1 0 "[ . 1 . 2]" 1
710 1 100 GLN HA 1 100 GLN HG3 . . 3.330 3.139 2.637 3.417 0.087 19 0 "[ . 1 . 2]" 1
711 1 100 GLN HA 1 103 ALA H . . 4.110 3.514 3.338 3.654 . 0 0 "[ . 1 . 2]" 1
712 1 100 GLN HA 1 103 ALA MB . . 3.270 3.071 2.827 3.260 . 0 0 "[ . 1 . 2]" 1
713 1 100 GLN HB3 1 101 VAL H . . 4.290 2.801 2.374 3.206 . 0 0 "[ . 1 . 2]" 1
714 1 100 GLN HB3 1 101 VAL MG1 . . 4.130 3.461 3.163 3.766 . 0 0 "[ . 1 . 2]" 1
715 1 101 VAL H 1 101 VAL HB . . 3.540 3.522 3.513 3.528 . 0 0 "[ . 1 . 2]" 1
716 1 101 VAL H 1 101 VAL MG1 . . 3.260 2.143 1.917 2.441 . 0 0 "[ . 1 . 2]" 1
717 1 101 VAL H 1 101 VAL MG2 . . 3.870 2.044 1.900 2.219 . 0 0 "[ . 1 . 2]" 1
718 1 101 VAL H 1 102 ILE H . . 3.820 2.780 2.595 2.893 . 0 0 "[ . 1 . 2]" 1
719 1 101 VAL H 1 103 ALA H . . 5.080 4.511 4.355 4.752 . 0 0 "[ . 1 . 2]" 1
720 1 101 VAL HA 1 101 VAL MG1 . . 3.150 2.277 2.137 2.421 . 0 0 "[ . 1 . 2]" 1
721 1 101 VAL HA 1 101 VAL MG2 . . 3.210 3.214 3.202 3.221 0.011 6 0 "[ . 1 . 2]" 1
722 1 101 VAL HA 1 104 LEU H . . 3.950 3.154 2.979 3.427 . 0 0 "[ . 1 . 2]" 1
723 1 101 VAL HA 1 104 LEU HB3 . . 4.200 3.929 3.633 4.139 . 0 0 "[ . 1 . 2]" 1
724 1 101 VAL HA 1 104 LEU QD . . 2.920 2.262 1.995 2.555 . 0 0 "[ . 1 . 2]" 1
725 1 101 VAL HA 1 104 LEU HG . . 3.860 2.597 2.034 2.886 . 0 0 "[ . 1 . 2]" 1
726 1 101 VAL HB 1 102 ILE H . . 3.980 3.828 3.610 4.009 0.029 5 0 "[ . 1 . 2]" 1
727 1 101 VAL MG1 1 102 ILE H . . 4.090 4.019 3.874 4.117 0.027 14 0 "[ . 1 . 2]" 1
728 1 101 VAL MG2 1 102 ILE H . . 4.050 2.068 1.914 2.253 . 0 0 "[ . 1 . 2]" 1
729 1 101 VAL MG2 1 102 ILE HA . . 3.700 3.265 3.078 3.478 . 0 0 "[ . 1 . 2]" 1
730 1 102 ILE H 1 102 ILE HB . . 3.460 2.237 2.189 2.321 . 0 0 "[ . 1 . 2]" 1
731 1 102 ILE H 1 102 ILE MD . . 3.920 3.718 3.365 3.916 . 0 0 "[ . 1 . 2]" 1
732 1 102 ILE H 1 102 ILE HG13 . . 3.670 3.508 3.260 3.679 0.009 18 0 "[ . 1 . 2]" 1
733 1 102 ILE H 1 102 ILE MG . . 3.580 3.650 3.622 3.687 0.107 16 0 "[ . 1 . 2]" 1
734 1 102 ILE H 1 103 ALA H . . 4.050 2.850 2.711 2.983 . 0 0 "[ . 1 . 2]" 1
735 1 102 ILE H 1 103 ALA MB . . 4.930 4.354 4.228 4.494 . 0 0 "[ . 1 . 2]" 1
736 1 102 ILE HA 1 102 ILE MD . . 3.260 2.169 1.970 2.426 . 0 0 "[ . 1 . 2]" 1
737 1 102 ILE HA 1 102 ILE HG13 . . 4.070 3.633 3.607 3.652 . 0 0 "[ . 1 . 2]" 1
738 1 102 ILE HA 1 102 ILE MG . . 3.210 2.565 2.520 2.601 . 0 0 "[ . 1 . 2]" 1
739 1 102 ILE HA 1 104 LEU H . . 5.110 4.342 4.012 4.582 . 0 0 "[ . 1 . 2]" 1
740 1 102 ILE HA 1 105 ILE H . . 4.180 3.370 3.167 3.553 . 0 0 "[ . 1 . 2]" 1
741 1 102 ILE HA 1 105 ILE HB . . 3.640 2.845 2.695 2.966 . 0 0 "[ . 1 . 2]" 1
742 1 102 ILE HA 1 105 ILE MD . . 3.290 2.276 1.962 2.560 . 0 0 "[ . 1 . 2]" 1
743 1 102 ILE HA 1 105 ILE HG13 . . 4.180 4.177 4.113 4.206 0.026 7 0 "[ . 1 . 2]" 1
744 1 102 ILE HB 1 102 ILE MD . . 3.410 3.186 3.152 3.206 . 0 0 "[ . 1 . 2]" 1
745 1 102 ILE HB 1 103 ALA H . . 3.840 2.657 2.503 2.740 . 0 0 "[ . 1 . 2]" 1
746 1 102 ILE HB 1 103 ALA MB . . 4.010 4.019 3.937 4.070 0.060 11 0 "[ . 1 . 2]" 1
747 1 102 ILE MD 1 102 ILE MG . . 2.870 1.916 1.823 2.055 . 0 0 "[ . 1 . 2]" 1
748 1 102 ILE MD 1 105 ILE MD . . 3.680 2.778 2.352 3.263 . 0 0 "[ . 1 . 2]" 1
749 1 102 ILE HG13 1 102 ILE MG . . 3.040 2.489 2.340 2.678 . 0 0 "[ . 1 . 2]" 1
750 1 102 ILE MG 1 103 ALA H . . 3.740 2.958 2.620 3.149 . 0 0 "[ . 1 . 2]" 1
751 1 102 ILE MG 1 103 ALA HA . . 3.920 3.176 2.972 3.323 . 0 0 "[ . 1 . 2]" 1
752 1 102 ILE MG 1 103 ALA MB . . 3.750 3.633 3.417 3.762 0.012 10 0 "[ . 1 . 2]" 1
753 1 102 ILE MG 1 105 ILE HB . . 4.240 3.771 3.567 3.944 . 0 0 "[ . 1 . 2]" 1
754 1 102 ILE MG 1 106 GLN H . . 4.430 3.830 3.654 4.122 . 0 0 "[ . 1 . 2]" 1
755 1 102 ILE MG 1 106 GLN HE21 . . 4.260 2.572 2.037 3.108 . 0 0 "[ . 1 . 2]" 1
756 1 102 ILE MG 1 106 GLN HE22 . . 4.730 3.844 3.256 4.359 . 0 0 "[ . 1 . 2]" 1
757 1 102 ILE MG 1 106 GLN HG3 . . 3.530 2.432 2.262 2.609 . 0 0 "[ . 1 . 2]" 1
758 1 103 ALA H 1 103 ALA MB . . 2.850 1.982 1.941 2.027 . 0 0 "[ . 1 . 2]" 1
759 1 103 ALA H 1 104 LEU H . . 3.830 2.714 2.614 2.857 . 0 0 "[ . 1 . 2]" 1
760 1 103 ALA H 1 104 LEU HB3 . . 5.040 6.193 6.086 6.351 1.311 4 20 [***+***********-****] 1
761 1 103 ALA HA 1 107 ASN HD21 . . 4.930 3.778 3.127 5.012 0.082 13 0 "[ . 1 . 2]" 1
762 1 103 ALA MB 1 104 LEU H . . 3.070 2.686 2.530 2.855 . 0 0 "[ . 1 . 2]" 1
763 1 103 ALA MB 1 104 LEU QD . . 3.780 3.226 2.632 3.562 . 0 0 "[ . 1 . 2]" 1
764 1 103 ALA MB 1 104 LEU HG . . 3.850 3.631 3.499 3.821 . 0 0 "[ . 1 . 2]" 1
765 1 103 ALA MB 1 106 GLN H . . 5.010 4.350 4.196 4.436 . 0 0 "[ . 1 . 2]" 1
766 1 103 ALA MB 1 106 GLN HG3 . . 4.510 4.499 4.419 4.531 0.021 11 0 "[ . 1 . 2]" 1
767 1 103 ALA MB 1 107 ASN H . . 5.110 4.302 3.910 4.505 . 0 0 "[ . 1 . 2]" 1
768 1 103 ALA MB 1 107 ASN HD21 . . 4.260 2.800 2.453 3.351 . 0 0 "[ . 1 . 2]" 1
769 1 103 ALA MB 1 107 ASN HD22 . . 4.060 3.477 2.918 4.068 0.008 18 0 "[ . 1 . 2]" 1
770 1 104 LEU H 1 104 LEU HB3 . . 3.510 3.527 3.514 3.543 0.033 19 0 "[ . 1 . 2]" 1
771 1 104 LEU H 1 104 LEU QD . . 3.460 2.956 2.540 3.137 . 0 0 "[ . 1 . 2]" 1
772 1 104 LEU H 1 104 LEU HG . . 3.270 2.300 2.099 2.410 . 0 0 "[ . 1 . 2]" 1
773 1 104 LEU HA 1 104 LEU QD . . 2.700 1.991 1.906 2.098 . 0 0 "[ . 1 . 2]" 1
774 1 104 LEU HA 1 104 LEU HG . . 3.580 3.147 2.992 3.432 . 0 0 "[ . 1 . 2]" 1
775 1 104 LEU HA 1 107 ASN H . . 4.390 3.431 3.109 3.824 . 0 0 "[ . 1 . 2]" 1
776 1 104 LEU HA 1 107 ASN HB3 . . 4.290 4.117 3.610 4.304 0.014 8 0 "[ . 1 . 2]" 1
777 1 104 LEU HA 1 107 ASN HD21 . . 5.110 3.911 2.644 4.704 . 0 0 "[ . 1 . 2]" 1
778 1 104 LEU HA 1 108 SER H . . 4.960 4.799 4.286 4.997 0.037 10 0 "[ . 1 . 2]" 1
779 1 104 LEU HB3 1 104 LEU QD . . 3.130 2.088 2.030 2.146 . 0 0 "[ . 1 . 2]" 1
780 1 104 LEU QD 1 107 ASN HD21 . . 5.130 4.129 2.724 4.923 . 0 0 "[ . 1 . 2]" 1
781 1 105 ILE H 1 105 ILE HB . . 3.580 2.255 2.206 2.326 . 0 0 "[ . 1 . 2]" 1
782 1 105 ILE H 1 105 ILE MD . . 3.710 3.214 2.843 3.534 . 0 0 "[ . 1 . 2]" 1
783 1 105 ILE H 1 105 ILE HG13 . . 3.870 2.634 2.440 2.869 . 0 0 "[ . 1 . 2]" 1
784 1 105 ILE H 1 105 ILE MG . . 3.610 3.655 3.625 3.693 0.083 7 0 "[ . 1 . 2]" 1
785 1 105 ILE H 1 106 GLN H . . 3.870 2.466 2.303 2.655 . 0 0 "[ . 1 . 2]" 1
786 1 105 ILE HA 1 105 ILE HG13 . . 3.600 2.516 2.423 2.622 . 0 0 "[ . 1 . 2]" 1
787 1 105 ILE HA 1 105 ILE MG . . 3.030 2.506 2.413 2.582 . 0 0 "[ . 1 . 2]" 1
788 1 105 ILE HA 1 108 SER H . . 4.610 3.476 3.211 3.834 . 0 0 "[ . 1 . 2]" 1
789 1 105 ILE HA 1 112 LEU MD1 . . 4.050 3.708 2.951 4.083 0.033 2 0 "[ . 1 . 2]" 1
790 1 105 ILE HA 1 112 LEU MD2 . . 3.110 2.400 1.940 2.935 . 0 0 "[ . 1 . 2]" 1
791 1 105 ILE HB 1 105 ILE MD . . 3.140 2.018 1.957 2.073 . 0 0 "[ . 1 . 2]" 1
792 1 105 ILE HB 1 106 GLN H . . 3.780 2.787 2.622 3.169 . 0 0 "[ . 1 . 2]" 1
793 1 105 ILE MD 1 105 ILE MG . . 2.570 2.414 2.303 2.573 0.003 7 0 "[ . 1 . 2]" 1
794 1 105 ILE MD 1 106 GLN H . . 4.350 4.380 4.328 4.429 0.079 11 0 "[ . 1 . 2]" 1
795 1 105 ILE MD 1 112 LEU MD1 . . 3.570 3.505 3.364 3.588 0.018 7 0 "[ . 1 . 2]" 1
796 1 105 ILE HG13 1 112 LEU MD2 . . 3.790 2.964 2.448 3.553 . 0 0 "[ . 1 . 2]" 1
797 1 105 ILE MG 1 106 GLN H . . 3.810 3.297 2.988 3.783 . 0 0 "[ . 1 . 2]" 1
798 1 105 ILE MG 1 106 GLN HA . . 3.700 3.344 3.074 3.676 . 0 0 "[ . 1 . 2]" 1
799 1 105 ILE MG 1 106 GLN HG3 . . 4.210 4.167 3.995 4.233 0.023 4 0 "[ . 1 . 2]" 1
800 1 105 ILE MG 1 112 LEU MD1 . . 3.150 2.691 2.206 3.167 0.017 4 0 "[ . 1 . 2]" 1
801 1 106 GLN H 1 106 GLN HB3 . . 3.460 3.554 3.529 3.607 0.147 7 0 "[ . 1 . 2]" 1
802 1 106 GLN H 1 106 GLN HG3 . . 3.640 2.680 2.348 2.984 . 0 0 "[ . 1 . 2]" 1
803 1 106 GLN H 1 107 ASN H . . 3.790 2.550 2.225 2.710 . 0 0 "[ . 1 . 2]" 1
804 1 106 GLN H 1 108 SER H . . 5.040 3.934 3.646 4.106 . 0 0 "[ . 1 . 2]" 1
805 1 106 GLN HA 1 106 GLN HG3 . . 3.600 3.499 3.377 3.589 . 0 0 "[ . 1 . 2]" 1
806 1 106 GLN HB3 1 107 ASN H . . 4.130 3.950 3.639 4.143 0.013 7 0 "[ . 1 . 2]" 1
807 1 107 ASN H 1 107 ASN HB3 . . 3.550 3.413 2.664 3.565 0.015 15 0 "[ . 1 . 2]" 1
808 1 107 ASN H 1 107 ASN HD21 . . 4.540 3.409 3.044 4.143 . 0 0 "[ . 1 . 2]" 1
809 1 107 ASN H 1 107 ASN HD22 . . 4.800 4.537 4.270 4.783 . 0 0 "[ . 1 . 2]" 1
810 1 107 ASN H 1 108 SER H . . 3.490 2.504 2.244 2.709 . 0 0 "[ . 1 . 2]" 1
811 1 107 ASN HB3 1 108 SER H . . 4.470 4.286 3.679 4.391 . 0 0 "[ . 1 . 2]" 1
812 1 108 SER H 1 108 SER HB3 . . 3.460 2.781 2.030 3.551 0.091 4 0 "[ . 1 . 2]" 1
813 1 108 SER H 1 109 ASP H . . 4.270 2.636 2.388 3.008 . 0 0 "[ . 1 . 2]" 1
814 1 108 SER H 1 112 LEU MD2 . . 4.580 4.283 3.127 4.639 0.059 6 0 "[ . 1 . 2]" 1
815 1 108 SER HA 1 109 ASP H . . 3.380 3.434 3.307 3.645 0.265 11 0 "[ . 1 . 2]" 1
816 1 108 SER HB3 1 109 ASP H . . 4.760 3.992 3.147 4.558 . 0 0 "[ . 1 . 2]" 1
817 1 108 SER HB3 1 112 LEU MD2 . . 3.850 2.497 1.995 3.152 . 0 0 "[ . 1 . 2]" 1
818 1 109 ASP H 1 109 ASP HB3 . . 3.780 3.784 3.407 3.892 0.112 5 0 "[ . 1 . 2]" 1
819 1 109 ASP HB3 1 110 THR H . . 4.520 2.195 1.852 2.977 . 0 0 "[ . 1 . 2]" 1
820 1 109 ASP HB3 1 111 THR H . . 5.030 3.146 2.431 4.262 . 0 0 "[ . 1 . 2]" 1
821 1 110 THR H 1 110 THR HB . . 4.090 2.422 2.287 2.618 . 0 0 "[ . 1 . 2]" 1
822 1 110 THR H 1 111 THR H . . 3.940 2.865 2.510 3.198 . 0 0 "[ . 1 . 2]" 1
823 1 110 THR HA 1 110 THR MG . . 3.120 2.382 2.217 2.498 . 0 0 "[ . 1 . 2]" 1
824 1 110 THR HB 1 111 THR H . . 3.630 2.400 2.237 2.831 . 0 0 "[ . 1 . 2]" 1
825 1 110 THR HB 1 111 THR MG . . 3.900 3.736 3.469 3.935 0.035 11 0 "[ . 1 . 2]" 1
826 1 110 THR MG 1 111 THR H . . 4.090 3.305 3.046 3.812 . 0 0 "[ . 1 . 2]" 1
827 1 110 THR MG 1 111 THR HA . . 4.250 3.861 3.490 4.119 . 0 0 "[ . 1 . 2]" 1
828 1 111 THR H 1 111 THR HB . . 3.610 3.435 3.332 3.576 . 0 0 "[ . 1 . 2]" 1
829 1 111 THR H 1 111 THR MG . . 3.910 3.104 2.771 3.393 . 0 0 "[ . 1 . 2]" 1
830 1 111 THR H 1 112 LEU H . . 4.850 4.535 4.433 4.626 . 0 0 "[ . 1 . 2]" 1
831 1 111 THR HA 1 111 THR MG . . 3.040 2.194 2.084 2.301 . 0 0 "[ . 1 . 2]" 1
832 1 111 THR HA 1 112 LEU H . . 3.050 2.474 2.288 2.684 . 0 0 "[ . 1 . 2]" 1
833 1 111 THR HB 1 112 LEU H . . 3.380 2.599 2.119 3.061 . 0 0 "[ . 1 . 2]" 1
834 1 111 THR MG 1 112 LEU H . . 3.340 3.345 2.996 3.449 0.109 4 0 "[ . 1 . 2]" 1
835 1 112 LEU H 1 112 LEU MD1 . . 4.420 4.007 3.698 4.269 . 0 0 "[ . 1 . 2]" 1
836 1 112 LEU H 1 113 GLU H . . 4.840 3.979 3.799 4.241 . 0 0 "[ . 1 . 2]" 1
837 1 112 LEU HB3 1 112 LEU MD1 . . 3.390 2.145 1.998 2.225 . 0 0 "[ . 1 . 2]" 1
838 1 112 LEU MD1 1 113 GLU H . . 4.960 3.840 3.308 4.137 . 0 0 "[ . 1 . 2]" 1
839 1 112 LEU MD2 1 113 GLU H . . 3.370 2.155 1.916 2.364 . 0 0 "[ . 1 . 2]" 1
840 1 112 LEU MD2 1 113 GLU HB3 . . 3.850 3.898 3.844 3.945 0.095 20 0 "[ . 1 . 2]" 1
841 1 113 GLU H 1 113 GLU HG3 . . 4.750 4.566 4.434 4.765 0.015 3 0 "[ . 1 . 2]" 1
842 1 113 GLU HA 1 113 GLU HG3 . . 3.800 2.654 2.432 3.271 . 0 0 "[ . 1 . 2]" 1
843 1 113 GLU HA 1 114 LEU H . . 3.410 2.283 2.225 2.367 . 0 0 "[ . 1 . 2]" 1
844 1 113 GLU HB3 1 114 LEU H . . 4.120 4.065 3.779 4.160 0.040 19 0 "[ . 1 . 2]" 1
845 1 113 GLU HG3 1 114 LEU H . . 4.040 3.060 2.317 3.615 . 0 0 "[ . 1 . 2]" 1
846 1 114 LEU H 1 114 LEU MD1 . . 4.080 3.878 3.688 4.077 . 0 0 "[ . 1 . 2]" 1
847 1 114 LEU H 1 114 LEU MD2 . . 4.190 4.149 4.006 4.245 0.055 11 0 "[ . 1 . 2]" 1
848 1 114 LEU H 1 114 LEU HG . . 4.470 3.154 2.911 3.339 . 0 0 "[ . 1 . 2]" 1
849 1 114 LEU H 1 115 SER H . . 5.130 4.422 4.322 4.502 . 0 0 "[ . 1 . 2]" 1
850 1 114 LEU HA 1 114 LEU MD1 . . 3.940 3.906 3.872 3.940 0.000 5 0 "[ . 1 . 2]" 1
851 1 114 LEU HA 1 114 LEU MD2 . . 3.190 2.230 2.075 2.395 . 0 0 "[ . 1 . 2]" 1
852 1 114 LEU HA 1 115 SER H . . 3.520 2.605 2.427 2.797 . 0 0 "[ . 1 . 2]" 1
853 1 114 LEU HB3 1 114 LEU MD1 . . 3.210 2.623 2.551 2.681 . 0 0 "[ . 1 . 2]" 1
854 1 114 LEU HB3 1 114 LEU MD2 . . 3.570 2.266 2.160 2.340 . 0 0 "[ . 1 . 2]" 1
855 1 114 LEU HB3 1 115 SER H . . 4.720 2.233 1.955 2.579 . 0 0 "[ . 1 . 2]" 1
856 1 114 LEU MD2 1 115 SER H . . 3.920 3.332 3.052 3.586 . 0 0 "[ . 1 . 2]" 1
857 1 114 LEU HG 1 115 SER H . . 4.690 4.717 4.654 4.774 0.084 2 0 "[ . 1 . 2]" 1
858 1 115 SER HA 1 116 VAL H . . 3.450 2.239 2.215 2.270 . 0 0 "[ . 1 . 2]" 1
859 1 115 SER HB3 1 116 VAL H . . 4.340 3.470 3.224 4.163 . 0 0 "[ . 1 . 2]" 1
860 1 116 VAL H 1 116 VAL MG1 . . 3.850 2.871 2.620 3.091 . 0 0 "[ . 1 . 2]" 1
861 1 116 VAL H 1 116 VAL MG2 . . 3.330 2.301 2.145 2.437 . 0 0 "[ . 1 . 2]" 1
862 1 116 VAL H 1 117 MET H . . 4.750 4.349 4.267 4.431 . 0 0 "[ . 1 . 2]" 1
863 1 116 VAL HA 1 116 VAL MG1 . . 3.300 2.350 2.223 2.500 . 0 0 "[ . 1 . 2]" 1
864 1 116 VAL HA 1 116 VAL MG2 . . 3.590 3.205 3.187 3.218 . 0 0 "[ . 1 . 2]" 1
865 1 116 VAL HA 1 117 MET H . . 3.580 2.753 2.593 2.864 . 0 0 "[ . 1 . 2]" 1
866 1 116 VAL HB 1 117 MET H . . 3.760 2.086 1.902 2.253 . 0 0 "[ . 1 . 2]" 1
867 1 116 VAL MG1 1 117 MET H . . 3.660 3.704 3.574 3.772 0.112 16 0 "[ . 1 . 2]" 1
868 1 116 VAL MG2 1 117 MET H . . 3.820 2.844 2.438 3.268 . 0 0 "[ . 1 . 2]" 1
869 1 117 MET HA 1 117 MET ME . . 3.760 2.400 1.791 3.642 . 0 0 "[ . 1 . 2]" 1
870 1 117 MET HA 1 118 PRO HD3 . . 3.430 2.328 2.042 2.940 . 0 0 "[ . 1 . 2]" 1
871 1 117 MET ME 1 117 MET HG3 . . 3.390 3.043 2.083 3.388 . 0 0 "[ . 1 . 2]" 1
872 1 117 MET ME 1 118 PRO HD3 . . 3.710 3.472 2.832 3.749 0.039 15 0 "[ . 1 . 2]" 1
873 1 118 PRO HA 1 119 LYS H . . 3.360 2.419 2.201 2.661 . 0 0 "[ . 1 . 2]" 1
874 1 118 PRO HA 1 119 LYS HB3 . . 4.020 4.786 4.049 5.463 1.443 14 11 "[- *** ***1** +* 2]" 1
875 1 118 PRO HB3 1 119 LYS H . . 4.060 3.442 3.177 3.808 . 0 0 "[ . 1 . 2]" 1
876 1 118 PRO HG3 1 119 LYS H . . 5.370 5.246 4.864 5.616 0.246 1 0 "[ . 1 . 2]" 1
877 1 119 LYS H 1 119 LYS HB3 . . 3.480 3.067 2.600 3.624 0.144 14 0 "[ . 1 . 2]" 1
878 1 119 LYS H 1 119 LYS HG3 . . 4.150 4.215 3.916 4.700 0.550 17 4 "[ .* *1 . + -]" 1
879 1 119 LYS H 1 120 ASP H . . 4.810 3.645 1.973 4.588 . 0 0 "[ . 1 . 2]" 1
880 1 119 LYS HA 1 119 LYS HG3 . . 3.370 2.970 2.041 4.071 0.701 10 1 "[ . + . 2]" 1
881 1 119 LYS HA 1 120 ASP H . . 3.330 2.893 2.284 3.640 0.310 16 0 "[ . 1 . 2]" 1
882 1 119 LYS HB3 1 120 ASP H . . 4.220 2.913 2.320 4.444 0.224 14 0 "[ . 1 . 2]" 1
883 1 119 LYS HG3 1 120 ASP H . . 4.530 3.715 2.396 5.741 1.211 14 1 "[ . 1 +. 2]" 1
884 1 120 ASP H 1 120 ASP HB3 . . 3.770 3.224 2.351 3.764 . 0 0 "[ . 1 . 2]" 1
885 1 121 SER H 1 121 SER HB3 . . 4.150 3.447 2.300 4.081 . 0 0 "[ . 1 . 2]" 1
886 1 122 GLY QA 1 123 PRO HD3 . . 2.520 2.141 1.917 2.483 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:00:58 PM GMT (wattos1)