NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
456667 |
2kgs   |
16237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kgs
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 1393
_Distance_constraint_stats_list.Viol_count 2846
_Distance_constraint_stats_list.Viol_total 2734.125
_Distance_constraint_stats_list.Viol_max 2.109
_Distance_constraint_stats_list.Viol_rms 0.0958
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0196
_Distance_constraint_stats_list.Viol_average_violations_only 0.0961
_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 1 GLY 2.203 0.560 9 1 "[ . +1]"
1 2 ALA 2.525 0.560 9 1 "[ . +1]"
1 3 SER 0.684 0.111 6 0 "[ . 1]"
1 4 ALA 0.309 0.076 10 0 "[ . 1]"
1 5 LEU 0.441 0.076 10 0 "[ . 1]"
1 6 SER 4.057 0.383 1 0 "[ . 1]"
1 7 LEU 1.253 0.132 5 0 "[ . 1]"
1 8 SER 1.543 0.178 1 0 "[ . 1]"
1 9 LEU 1.772 0.139 9 0 "[ . 1]"
1 10 LEU 0.367 0.079 1 0 "[ . 1]"
1 11 SER 0.636 0.053 8 0 "[ . 1]"
1 12 ILE 0.633 0.095 9 0 "[ . 1]"
1 13 SER 2.187 0.164 4 0 "[ . 1]"
1 14 ARG 8.729 0.587 8 7 "[ ** -**+*1]"
1 15 SER 7.173 0.681 2 10 [-+********]
1 16 GLY 0.981 0.309 2 0 "[ . 1]"
1 17 ASN 11.723 0.681 2 10 [-+********]
1 18 THR 5.567 0.381 5 0 "[ . 1]"
1 19 VAL 16.101 1.121 7 10 [******+-**]
1 20 THR 0.727 0.074 7 0 "[ . 1]"
1 21 LEU 5.792 0.829 8 4 "[ * . -+ *]"
1 22 ILE 1.833 0.409 8 0 "[ . 1]"
1 23 GLY 0.844 0.079 1 0 "[ . 1]"
1 24 ASP 1.249 0.111 6 0 "[ . 1]"
1 25 PHE 1.382 0.125 4 0 "[ . 1]"
1 26 PRO 0.582 0.069 4 0 "[ . 1]"
1 27 ASP 6.705 0.385 9 0 "[ . 1]"
1 28 GLU 9.229 0.385 9 0 "[ . 1]"
1 29 ALA 3.786 0.157 8 0 "[ . 1]"
1 30 ALA 2.265 0.087 7 0 "[ . 1]"
1 31 LYS 1.184 0.079 5 0 "[ . 1]"
1 32 ALA 1.403 0.088 8 0 "[ . 1]"
1 33 ALA 1.853 0.082 9 0 "[ . 1]"
1 34 LEU 2.951 0.147 1 0 "[ . 1]"
1 35 MET 2.927 0.091 3 0 "[ . 1]"
1 36 THR 2.023 0.098 8 0 "[ . 1]"
1 37 ALA 2.068 0.114 8 0 "[ . 1]"
1 38 LEU 5.226 0.488 3 0 "[ . 1]"
1 39 ASN 1.820 0.087 9 0 "[ . 1]"
1 40 GLY 1.533 0.301 3 0 "[ . 1]"
1 41 LEU 3.240 0.133 5 0 "[ . 1]"
1 42 LEU 1.409 0.301 3 0 "[ . 1]"
1 43 ALA 22.674 1.175 10 10 [*********+]
1 44 PRO 10.986 1.029 2 10 [*+*******-]
1 45 GLY 0.794 0.069 10 0 "[ . 1]"
1 46 VAL 13.095 1.175 10 10 [******-**+]
1 47 ASN 13.425 1.121 7 10 [******+-**]
1 48 VAL 4.434 0.489 7 0 "[ . 1]"
1 49 ILE 0.704 0.092 4 0 "[ . 1]"
1 50 ASP 6.091 0.829 8 4 "[ * . -+ *]"
1 51 GLN 1.991 0.124 3 0 "[ . 1]"
1 52 ILE 4.795 0.409 8 0 "[ . 1]"
1 53 HIS 4.577 0.439 3 0 "[ . 1]"
1 54 VAL 4.727 0.439 3 0 "[ . 1]"
1 55 ASP 0.996 0.096 6 0 "[ . 1]"
1 56 PRO 0.558 0.055 4 0 "[ . 1]"
1 57 VAL 0.568 0.056 7 0 "[ . 1]"
1 58 VAL 2.386 0.171 7 0 "[ . 1]"
1 59 ARG 0.341 0.087 7 0 "[ . 1]"
1 60 SER 0.877 0.132 5 0 "[ . 1]"
1 61 LEU 1.142 0.130 5 0 "[ . 1]"
1 62 ASP 8.173 1.165 7 8 "[* - **+***]"
1 63 PHE 2.791 0.133 8 0 "[ . 1]"
1 64 SER 1.251 0.115 2 0 "[ . 1]"
1 65 SER 1.572 0.128 3 0 "[ . 1]"
1 66 ALA 1.489 0.119 5 0 "[ . 1]"
1 67 GLU 1.665 0.114 8 0 "[ . 1]"
1 68 PRO 0.487 0.053 6 0 "[ . 1]"
1 69 VAL 1.881 0.083 6 0 "[ . 1]"
1 70 PHE 3.940 0.488 3 0 "[ . 1]"
1 71 THR 1.069 0.075 10 0 "[ . 1]"
1 72 ALA 0.913 0.052 10 0 "[ . 1]"
1 73 SER 7.329 0.873 7 3 "[ - . + *]"
1 74 VAL 0.337 0.037 5 0 "[ . 1]"
1 75 PRO 0.020 0.009 9 0 "[ . 1]"
1 76 ILE 1.384 0.136 7 0 "[ . 1]"
1 77 PRO 0.799 0.078 10 0 "[ . 1]"
1 78 ASP 10.755 0.921 6 10 [****-+****]
1 79 PHE 21.284 0.921 6 10 [****-+****]
1 80 GLY 4.329 0.373 7 0 "[ . 1]"
1 81 LEU 9.691 0.586 4 7 "[ **+** -*]"
1 82 LYS 1.955 0.164 8 0 "[ . 1]"
1 83 VAL 0.441 0.051 1 0 "[ . 1]"
1 84 GLU 0.577 0.050 3 0 "[ . 1]"
1 85 ARG 0.399 0.061 1 0 "[ . 1]"
1 86 ASP 2.371 0.252 4 0 "[ . 1]"
1 87 THR 1.634 0.252 4 0 "[ . 1]"
1 88 VAL 2.028 0.108 2 0 "[ . 1]"
1 89 THR 1.286 0.085 1 0 "[ . 1]"
1 90 LEU 30.733 2.109 10 10 [********-+]
1 91 THR 1.821 0.088 2 0 "[ . 1]"
1 92 GLY 3.870 0.546 10 1 "[ . +]"
1 93 THR 2.288 0.123 7 0 "[ . 1]"
1 94 ALA 3.861 0.328 7 0 "[ . 1]"
1 95 PRO 8.859 0.689 4 10 [***+**-***]
1 96 SER 12.540 0.689 4 10 [***+**-***]
1 97 SER 1.055 0.087 6 0 "[ . 1]"
1 98 GLU 2.405 0.087 6 0 "[ . 1]"
1 99 HIS 2.222 0.087 1 0 "[ . 1]"
1 100 LYS 1.673 0.105 3 0 "[ . 1]"
1 101 ASP 2.665 0.117 1 0 "[ . 1]"
1 102 ALA 2.793 0.117 1 0 "[ . 1]"
1 103 VAL 2.495 0.087 8 0 "[ . 1]"
1 104 LYS 2.214 0.099 6 0 "[ . 1]"
1 105 ARG 1.907 0.087 8 0 "[ . 1]"
1 106 ALA 1.711 0.092 5 0 "[ . 1]"
1 107 ALA 1.583 0.083 10 0 "[ . 1]"
1 108 THR 1.757 0.093 10 0 "[ . 1]"
1 109 SER 1.064 0.069 10 0 "[ . 1]"
1 110 THR 1.163 0.096 10 0 "[ . 1]"
1 111 TRP 9.842 1.165 7 8 "[* - **+***]"
1 112 PRO 0.516 0.057 7 0 "[ . 1]"
1 113 ASP 4.294 0.442 5 0 "[ . 1]"
1 114 MET 4.688 0.442 5 0 "[ . 1]"
1 115 LYS 0.043 0.018 7 0 "[ . 1]"
1 116 ILE 0.487 0.060 7 0 "[ . 1]"
1 117 VAL 1.185 0.092 4 0 "[ . 1]"
1 118 ASN 24.971 2.109 10 10 [**-******+]
1 119 ASN 0.460 0.065 9 0 "[ . 1]"
1 120 ILE 4.456 0.546 10 1 "[ . +]"
1 121 GLU 1.798 0.125 6 0 "[ . 1]"
1 122 VAL 0.734 0.092 1 0 "[ . 1]"
1 123 THR 0.415 0.049 7 0 "[ . 1]"
1 124 GLY 0.090 0.036 4 0 "[ . 1]"
1 125 GLN 0.396 0.081 5 0 "[ . 1]"
1 126 ALA 0.775 0.132 4 0 "[ . 1]"
1 127 PRO 0.030 0.014 6 0 "[ . 1]"
1 128 PRO 0.000 0.000 . 0 "[ . 1]"
1 129 GLY 0.000 0.000 . 0 "[ . 1]"
1 131 PRO 0.603 0.093 6 0 "[ . 1]"
1 132 ALA 0.603 0.093 6 0 "[ . 1]"
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 1 GLY H1 1 1 GLY QA . . 3.800 2.303 2.300 2.306 . 0 0 "[ . 1]" 1
2 1 1 GLY HA2 1 2 ALA H . . 3.200 2.390 2.143 2.606 . 0 0 "[ . 1]" 1
3 1 1 GLY HA3 1 2 ALA H . . 2.600 2.787 2.471 3.160 0.560 9 1 "[ . +1]" 1
4 1 1 GLY H1 1 2 ALA H . . 4.800 4.238 3.698 4.435 . 0 0 "[ . 1]" 1
5 1 2 ALA H 1 2 ALA HA . . 3.000 2.797 2.226 2.950 . 0 0 "[ . 1]" 1
6 1 2 ALA HA 1 3 SER H . . 2.400 2.424 2.338 2.487 0.087 10 0 "[ . 1]" 1
7 1 2 ALA H 1 3 SER H . . 4.800 4.075 2.810 4.656 . 0 0 "[ . 1]" 1
8 1 2 ALA MB 1 3 SER H . . 4.800 2.786 2.311 3.747 . 0 0 "[ . 1]" 1
9 1 3 SER H 1 3 SER HA . . 3.000 2.942 2.853 2.988 . 0 0 "[ . 1]" 1
10 1 3 SER H 1 3 SER HB3 . . 3.600 3.315 2.982 3.689 0.089 2 0 "[ . 1]" 1
11 1 3 SER H 1 3 SER HB2 . . 3.600 3.070 2.447 3.711 0.111 6 0 "[ . 1]" 1
12 1 3 SER H 1 4 ALA H . . 4.800 4.452 4.197 4.681 . 0 0 "[ . 1]" 1
13 1 3 SER HA 1 4 ALA H . . 2.600 2.319 2.184 2.547 . 0 0 "[ . 1]" 1
14 1 3 SER QB 1 4 ALA H . . 5.400 2.938 2.377 3.687 . 0 0 "[ . 1]" 1
15 1 4 ALA H 1 4 ALA HA . . 3.000 2.776 2.239 2.941 . 0 0 "[ . 1]" 1
16 1 4 ALA HA 1 5 LEU H . . 2.600 2.503 2.156 2.676 0.076 10 0 "[ . 1]" 1
17 1 4 ALA H 1 5 LEU H . . 4.600 3.254 2.362 4.625 0.025 9 0 "[ . 1]" 1
18 1 4 ALA MB 1 5 LEU H . . 5.400 3.504 2.701 3.770 . 0 0 "[ . 1]" 1
19 1 5 LEU H 1 5 LEU HA . . 3.000 2.916 2.757 2.987 . 0 0 "[ . 1]" 1
20 1 5 LEU H 1 5 LEU HB3 . . 4.400 3.282 2.417 3.846 . 0 0 "[ . 1]" 1
21 1 5 LEU H 1 5 LEU HB2 . . 4.400 2.533 2.145 2.948 . 0 0 "[ . 1]" 1
22 1 3 SER QB 1 5 LEU H . . 6.200 4.291 2.877 5.558 . 0 0 "[ . 1]" 1
23 1 5 LEU H 1 86 ASP HB3 . . 5.400 4.100 3.052 5.423 0.023 10 0 "[ . 1]" 1
24 1 5 LEU H 1 86 ASP HB2 . . 4.400 3.034 1.886 4.170 . 0 0 "[ . 1]" 1
25 1 5 LEU H 1 86 ASP HA . . 5.800 4.797 3.962 5.309 . 0 0 "[ . 1]" 1
26 1 5 LEU HA 1 6 SER H . . 2.400 2.242 2.103 2.450 0.050 1 0 "[ . 1]" 1
27 1 5 LEU H 1 6 SER H . . 4.800 4.457 4.216 4.650 . 0 0 "[ . 1]" 1
28 1 5 LEU QB 1 6 SER H . . 4.400 3.253 2.148 3.976 . 0 0 "[ . 1]" 1
29 1 5 LEU MD1 1 6 SER H . . 6.800 3.746 2.055 5.321 . 0 0 "[ . 1]" 1
30 1 5 LEU MD2 1 6 SER H . . 6.800 3.893 3.268 4.976 . 0 0 "[ . 1]" 1
31 1 6 SER H 1 6 SER HA . . 2.600 2.904 2.787 2.983 0.383 1 0 "[ . 1]" 1
32 1 6 SER H 1 6 SER HB3 . . 3.600 2.828 2.558 3.019 . 0 0 "[ . 1]" 1
33 1 6 SER H 1 6 SER HB2 . . 3.600 3.226 2.369 3.600 . 0 0 "[ . 1]" 1
34 1 6 SER H 1 86 ASP HB2 . . 5.000 4.989 4.803 5.087 0.087 7 0 "[ . 1]" 1
35 1 6 SER HA 1 7 LEU H . . 3.000 2.182 2.048 2.642 . 0 0 "[ . 1]" 1
36 1 6 SER H 1 7 LEU H . . 4.400 4.065 2.794 4.487 0.087 10 0 "[ . 1]" 1
37 1 6 SER HB3 1 7 LEU H . . 4.600 4.265 3.970 4.456 . 0 0 "[ . 1]" 1
38 1 6 SER HB2 1 7 LEU H . . 4.400 4.006 3.137 4.515 0.115 8 0 "[ . 1]" 1
39 1 7 LEU H 1 7 LEU HA . . 3.000 2.985 2.875 3.008 0.008 5 0 "[ . 1]" 1
40 1 7 LEU H 1 85 ARG HA . . 2.600 2.125 1.793 2.339 . 0 0 "[ . 1]" 1
41 1 7 LEU H 1 85 ARG H . . 4.000 3.833 3.535 4.048 0.048 6 0 "[ . 1]" 1
42 1 7 LEU H 1 85 ARG HB3 . . 5.800 3.878 3.140 4.356 . 0 0 "[ . 1]" 1
43 1 7 LEU H 1 84 GLU HA . . 5.800 5.604 5.287 5.845 0.045 8 0 "[ . 1]" 1
44 1 7 LEU H 1 86 ASP HA . . 6.200 4.700 4.136 5.809 . 0 0 "[ . 1]" 1
45 1 7 LEU HA 1 8 SER H . . 2.800 2.320 2.247 2.388 . 0 0 "[ . 1]" 1
46 1 7 LEU H 1 8 SER H . . 4.600 4.426 4.303 4.554 . 0 0 "[ . 1]" 1
47 1 7 LEU QB 1 8 SER H . . 5.000 2.264 2.184 2.480 . 0 0 "[ . 1]" 1
48 1 7 LEU HG 1 8 SER H . . 4.800 3.976 3.243 4.774 . 0 0 "[ . 1]" 1
49 1 8 SER H 1 8 SER HA . . 2.600 2.729 2.635 2.778 0.178 1 0 "[ . 1]" 1
50 1 8 SER H 1 8 SER HB3 . . 3.600 3.246 2.615 3.586 . 0 0 "[ . 1]" 1
51 1 8 SER H 1 8 SER HB2 . . 3.600 2.164 1.975 2.464 . 0 0 "[ . 1]" 1
52 1 8 SER H 1 59 ARG H . . 3.600 2.894 2.753 3.052 . 0 0 "[ . 1]" 1
53 1 8 SER H 1 58 VAL HB . . 4.000 3.870 3.831 3.927 . 0 0 "[ . 1]" 1
54 1 8 SER H 1 60 SER HA . . 3.600 3.020 2.826 3.311 . 0 0 "[ . 1]" 1
55 1 8 SER HA 1 9 LEU H . . 3.200 2.228 2.138 2.310 . 0 0 "[ . 1]" 1
56 1 8 SER H 1 9 LEU H . . 4.600 4.594 4.545 4.632 0.032 8 0 "[ . 1]" 1
57 1 8 SER HB3 1 9 LEU H . . 3.600 2.967 2.446 3.616 0.016 7 0 "[ . 1]" 1
58 1 8 SER HB2 1 9 LEU H . . 4.000 3.944 3.768 4.098 0.098 10 0 "[ . 1]" 1
59 1 9 LEU H 1 9 LEU HA . . 2.800 2.931 2.917 2.939 0.139 9 0 "[ . 1]" 1
60 1 9 LEU H 1 84 GLU HB3 . . 5.800 5.797 5.730 5.810 0.010 2 0 "[ . 1]" 1
61 1 9 LEU H 1 84 GLU HB2 . . 5.800 5.798 5.676 5.835 0.035 10 0 "[ . 1]" 1
62 1 9 LEU HA 1 10 LEU H . . 2.400 2.229 2.187 2.269 . 0 0 "[ . 1]" 1
63 1 9 LEU H 1 10 LEU H . . 4.600 4.501 4.443 4.531 . 0 0 "[ . 1]" 1
64 1 9 LEU QB 1 10 LEU H . . 5.000 2.916 2.548 3.820 . 0 0 "[ . 1]" 1
65 1 9 LEU MD1 1 10 LEU H . . 6.400 3.826 3.354 5.081 . 0 0 "[ . 1]" 1
66 1 9 LEU MD2 1 10 LEU H . . 6.400 4.650 2.990 5.175 . 0 0 "[ . 1]" 1
67 1 10 LEU H 1 10 LEU HA . . 3.000 2.947 2.924 2.972 . 0 0 "[ . 1]" 1
68 1 10 LEU H 1 82 LYS HA . . 4.800 4.800 4.695 4.854 0.054 9 0 "[ . 1]" 1
69 1 10 LEU H 1 83 VAL HA . . 5.200 4.770 4.627 4.902 . 0 0 "[ . 1]" 1
70 1 10 LEU H 1 83 VAL H . . 3.400 3.019 2.912 3.079 . 0 0 "[ . 1]" 1
71 1 10 LEU H 1 83 VAL HB . . 3.400 2.926 2.589 3.150 . 0 0 "[ . 1]" 1
72 1 10 LEU H 1 83 VAL MG1 . . 5.400 3.932 3.552 4.082 . 0 0 "[ . 1]" 1
73 1 10 LEU HA 1 11 SER H . . 2.400 2.283 2.243 2.337 . 0 0 "[ . 1]" 1
74 1 10 LEU H 1 11 SER H . . 4.800 4.372 4.312 4.398 . 0 0 "[ . 1]" 1
75 1 10 LEU MD1 1 11 SER H . . 6.000 3.376 1.936 4.900 . 0 0 "[ . 1]" 1
76 1 10 LEU MD2 1 11 SER H . . 6.000 3.250 2.806 3.880 . 0 0 "[ . 1]" 1
77 1 11 SER H 1 11 SER HA . . 2.900 2.935 2.905 2.953 0.053 8 0 "[ . 1]" 1
78 1 11 SER H 1 22 ILE H . . 3.800 3.402 3.354 3.485 . 0 0 "[ . 1]" 1
79 1 11 SER H 1 22 ILE HA . . 5.000 4.986 4.868 5.025 0.025 5 0 "[ . 1]" 1
80 1 11 SER H 1 23 GLY H . . 5.000 4.789 4.732 4.849 . 0 0 "[ . 1]" 1
81 1 11 SER H 1 23 GLY HA3 . . 4.000 3.265 3.071 3.633 . 0 0 "[ . 1]" 1
82 1 11 SER H 1 23 GLY HA2 . . 4.000 3.638 3.471 3.850 . 0 0 "[ . 1]" 1
83 1 11 SER H 1 24 ASP H . . 5.400 5.051 4.842 5.411 0.011 4 0 "[ . 1]" 1
84 1 11 SER HA 1 12 ILE H . . 2.400 2.227 2.193 2.281 . 0 0 "[ . 1]" 1
85 1 11 SER H 1 12 ILE H . . 4.800 4.318 4.147 4.382 . 0 0 "[ . 1]" 1
86 1 11 SER QB 1 12 ILE H . . 4.600 3.063 2.407 3.782 . 0 0 "[ . 1]" 1
87 1 12 ILE H 1 12 ILE HA . . 3.000 2.960 2.942 2.991 . 0 0 "[ . 1]" 1
88 1 12 ILE H 1 12 ILE HB . . 3.400 3.219 2.703 3.430 0.030 5 0 "[ . 1]" 1
89 1 12 ILE H 1 12 ILE QG . . 4.800 3.782 2.891 4.330 . 0 0 "[ . 1]" 1
90 1 12 ILE H 1 81 LEU H . . 3.600 2.922 2.796 3.007 . 0 0 "[ . 1]" 1
91 1 12 ILE H 1 22 ILE H . . 5.000 4.900 4.830 4.975 . 0 0 "[ . 1]" 1
92 1 12 ILE H 1 82 LYS HA . . 3.600 3.616 3.548 3.695 0.095 9 0 "[ . 1]" 1
93 1 12 ILE H 1 82 LYS H . . 5.000 4.946 4.893 5.002 0.002 6 0 "[ . 1]" 1
94 1 12 ILE H 1 80 GLY HA3 . . 5.000 4.974 4.882 5.055 0.055 3 0 "[ . 1]" 1
95 1 12 ILE HA 1 13 SER H . . 2.400 2.206 2.178 2.237 . 0 0 "[ . 1]" 1
96 1 12 ILE H 1 13 SER H . . 4.800 4.322 4.282 4.374 . 0 0 "[ . 1]" 1
97 1 12 ILE HB 1 13 SER H . . 4.600 4.052 3.897 4.116 . 0 0 "[ . 1]" 1
98 1 12 ILE HG13 1 13 SER H . . 5.000 3.567 2.623 5.073 0.073 7 0 "[ . 1]" 1
99 1 12 ILE HG12 1 13 SER H . . 4.600 3.290 2.615 4.457 . 0 0 "[ . 1]" 1
100 1 13 SER H 1 13 SER HA . . 2.900 2.957 2.942 2.971 0.071 5 0 "[ . 1]" 1
101 1 13 SER H 1 22 ILE H . . 5.000 5.017 4.891 5.054 0.054 9 0 "[ . 1]" 1
102 1 13 SER H 1 20 THR H . . 3.600 3.097 3.031 3.188 . 0 0 "[ . 1]" 1
103 1 13 SER H 1 21 LEU HA . . 4.000 3.919 3.833 4.038 0.038 10 0 "[ . 1]" 1
104 1 13 SER H 1 80 GLY HA3 . . 5.200 5.253 5.099 5.364 0.164 4 0 "[ . 1]" 1
105 1 13 SER HA 1 14 ARG H . . 2.400 2.187 2.174 2.209 . 0 0 "[ . 1]" 1
106 1 13 SER H 1 14 ARG H . . 4.800 4.371 4.337 4.413 . 0 0 "[ . 1]" 1
107 1 13 SER QB 1 14 ARG H . . 5.000 3.201 2.693 3.624 . 0 0 "[ . 1]" 1
108 1 14 ARG H 1 14 ARG HA . . 3.000 2.991 2.984 2.997 . 0 0 "[ . 1]" 1
109 1 14 ARG H 1 14 ARG HB3 . . 4.000 2.566 2.504 2.638 . 0 0 "[ . 1]" 1
110 1 14 ARG H 1 14 ARG HB2 . . 4.000 2.811 2.696 3.000 . 0 0 "[ . 1]" 1
111 1 14 ARG H 1 81 LEU H . . 5.400 5.432 5.412 5.450 0.050 1 0 "[ . 1]" 1
112 1 14 ARG H 1 79 PHE H . . 4.200 4.730 4.618 4.787 0.587 8 7 "[ ** -**+*1]" 1
113 1 14 ARG H 1 79 PHE QD . . 6.800 5.041 4.762 5.244 . 0 0 "[ . 1]" 1
114 1 14 ARG H 1 80 GLY HA2 . . 4.200 3.482 3.392 3.570 . 0 0 "[ . 1]" 1
115 1 14 ARG H 1 80 GLY HA3 . . 4.400 3.824 3.629 4.008 . 0 0 "[ . 1]" 1
116 1 14 ARG H 1 19 VAL MG2 . . 6.800 3.707 3.539 3.968 . 0 0 "[ . 1]" 1
117 1 14 ARG HA 1 15 SER H . . 2.600 2.121 2.092 2.170 . 0 0 "[ . 1]" 1
118 1 14 ARG H 1 15 SER H . . 4.800 4.503 4.428 4.545 . 0 0 "[ . 1]" 1
119 1 14 ARG HB3 1 15 SER H . . 4.400 3.893 3.814 4.054 . 0 0 "[ . 1]" 1
120 1 14 ARG HB2 1 15 SER H . . 4.400 4.041 3.970 4.154 . 0 0 "[ . 1]" 1
121 1 15 SER H 1 15 SER HA . . 2.900 2.963 2.950 2.970 0.070 4 0 "[ . 1]" 1
122 1 15 SER H 1 20 THR H . . 4.800 4.844 4.824 4.859 0.059 4 0 "[ . 1]" 1
123 1 15 SER H 1 19 VAL H . . 5.200 4.849 4.820 4.874 . 0 0 "[ . 1]" 1
124 1 15 SER H 1 19 VAL HA . . 3.500 3.169 3.113 3.231 . 0 0 "[ . 1]" 1
125 1 15 SER H 1 19 VAL HB . . 4.400 4.208 4.168 4.273 . 0 0 "[ . 1]" 1
126 1 15 SER H 1 19 VAL MG1 . . 6.400 5.367 5.354 5.387 . 0 0 "[ . 1]" 1
127 1 15 SER H 1 19 VAL MG2 . . 5.400 4.097 3.998 4.199 . 0 0 "[ . 1]" 1
128 1 15 SER H 1 18 THR H . . 4.000 3.271 3.214 3.324 . 0 0 "[ . 1]" 1
129 1 15 SER H 1 18 THR HA . . 5.000 4.975 4.932 5.008 0.008 9 0 "[ . 1]" 1
130 1 15 SER H 1 18 THR HB . . 4.600 3.811 3.701 3.898 . 0 0 "[ . 1]" 1
131 1 15 SER H 1 16 GLY H . . 4.800 3.263 3.077 3.794 . 0 0 "[ . 1]" 1
132 1 15 SER HA 1 16 GLY H . . 2.600 2.477 2.175 2.557 . 0 0 "[ . 1]" 1
133 1 15 SER QB 1 16 GLY H . . 5.800 3.961 3.940 4.005 . 0 0 "[ . 1]" 1
134 1 16 GLY H 1 16 GLY HA2 . . 2.400 2.318 2.279 2.334 . 0 0 "[ . 1]" 1
135 1 16 GLY H 1 16 GLY HA3 . . 3.000 2.893 2.816 2.917 . 0 0 "[ . 1]" 1
136 1 16 GLY H 1 18 THR H . . 4.200 4.215 4.161 4.509 0.309 2 0 "[ . 1]" 1
137 1 14 ARG HA 1 16 GLY H . . 5.400 4.773 4.467 5.402 0.002 2 0 "[ . 1]" 1
138 1 14 ARG QG 1 16 GLY H . . 5.800 2.481 1.973 3.036 . 0 0 "[ . 1]" 1
139 1 16 GLY H 1 78 ASP HA . . 4.400 4.329 4.287 4.359 . 0 0 "[ . 1]" 1
140 1 16 GLY HA3 1 17 ASN H . . 2.400 2.247 2.195 2.328 . 0 0 "[ . 1]" 1
141 1 16 GLY HA2 1 17 ASN H . . 3.400 3.459 3.426 3.503 0.103 4 0 "[ . 1]" 1
142 1 16 GLY H 1 17 ASN H . . 4.200 4.178 4.122 4.248 0.048 2 0 "[ . 1]" 1
143 1 17 ASN H 1 17 ASN HA . . 2.700 2.963 2.950 2.969 0.269 8 0 "[ . 1]" 1
144 1 17 ASN H 1 17 ASN HB3 . . 4.000 3.787 3.696 3.857 . 0 0 "[ . 1]" 1
145 1 17 ASN H 1 17 ASN HB2 . . 4.000 2.691 2.595 2.805 . 0 0 "[ . 1]" 1
146 1 15 SER HA 1 17 ASN H . . 5.400 5.334 5.180 5.415 0.015 7 0 "[ . 1]" 1
147 1 15 SER H 1 17 ASN H . . 4.400 4.985 4.926 5.081 0.681 2 10 [-+********] 1
148 1 17 ASN HA 1 18 THR H . . 3.200 2.863 2.756 3.061 . 0 0 "[ . 1]" 1
149 1 17 ASN H 1 18 THR H . . 2.600 2.574 2.490 2.639 0.039 7 0 "[ . 1]" 1
150 1 17 ASN HB3 1 18 THR H . . 4.400 4.456 4.449 4.461 0.061 8 0 "[ . 1]" 1
151 1 17 ASN HB2 1 18 THR H . . 4.400 4.153 3.941 4.237 . 0 0 "[ . 1]" 1
152 1 18 THR H 1 18 THR HA . . 2.800 2.911 2.902 2.927 0.127 7 0 "[ . 1]" 1
153 1 18 THR H 1 18 THR HB . . 3.000 2.860 2.835 2.872 . 0 0 "[ . 1]" 1
154 1 15 SER HA 1 18 THR H . . 5.000 5.006 4.942 5.023 0.023 8 0 "[ . 1]" 1
155 1 15 SER QB 1 18 THR H . . 6.000 3.891 3.695 4.750 . 0 0 "[ . 1]" 1
156 1 14 ARG HA 1 18 THR H . . 4.600 4.888 4.762 4.981 0.381 5 0 "[ . 1]" 1
157 1 18 THR H 1 46 VAL HA . . 5.400 4.714 4.539 4.983 . 0 0 "[ . 1]" 1
158 1 16 GLY HA3 1 18 THR H . . 4.400 4.048 3.970 4.112 . 0 0 "[ . 1]" 1
159 1 16 GLY HA2 1 18 THR H . . 4.800 4.605 4.442 4.700 . 0 0 "[ . 1]" 1
160 1 18 THR H 1 47 ASN HB3 . . 5.000 4.821 4.771 4.853 . 0 0 "[ . 1]" 1
161 1 18 THR H 1 47 ASN H . . 5.200 4.543 4.444 4.644 . 0 0 "[ . 1]" 1
162 1 18 THR HA 1 19 VAL H . . 2.400 2.273 2.232 2.310 . 0 0 "[ . 1]" 1
163 1 18 THR H 1 19 VAL H . . 4.800 4.199 4.147 4.238 . 0 0 "[ . 1]" 1
164 1 18 THR HB 1 19 VAL H . . 4.800 4.215 4.119 4.299 . 0 0 "[ . 1]" 1
165 1 19 VAL H 1 19 VAL HA . . 3.000 2.980 2.973 2.983 . 0 0 "[ . 1]" 1
166 1 19 VAL H 1 19 VAL HB . . 2.800 2.911 2.898 2.921 0.121 4 0 "[ . 1]" 1
167 1 14 ARG HA 1 19 VAL H . . 5.200 4.852 4.754 4.903 . 0 0 "[ . 1]" 1
168 1 19 VAL H 1 48 VAL HA . . 3.200 2.818 2.691 2.926 . 0 0 "[ . 1]" 1
169 1 19 VAL H 1 48 VAL H . . 4.200 4.627 4.563 4.689 0.489 7 0 "[ . 1]" 1
170 1 19 VAL H 1 49 ILE H . . 4.800 3.990 3.872 4.102 . 0 0 "[ . 1]" 1
171 1 19 VAL H 1 46 VAL HA . . 5.800 5.591 5.467 5.737 . 0 0 "[ . 1]" 1
172 1 19 VAL H 1 47 ASN HB3 . . 4.800 3.702 3.639 3.763 . 0 0 "[ . 1]" 1
173 1 19 VAL H 1 47 ASN HA . . 4.000 5.062 5.033 5.121 1.121 7 10 [******+-**] 1
174 1 19 VAL H 1 42 LEU MD1 . . 6.800 5.523 5.259 5.669 . 0 0 "[ . 1]" 1
175 1 19 VAL HA 1 20 THR H . . 2.400 2.160 2.122 2.197 . 0 0 "[ . 1]" 1
176 1 19 VAL H 1 20 THR H . . 4.800 4.437 4.419 4.452 . 0 0 "[ . 1]" 1
177 1 19 VAL HB 1 20 THR H . . 4.800 4.159 4.139 4.198 . 0 0 "[ . 1]" 1
178 1 19 VAL MG1 1 20 THR H . . 5.400 3.742 3.656 3.874 . 0 0 "[ . 1]" 1
179 1 19 VAL MG2 1 20 THR H . . 6.800 2.479 2.429 2.601 . 0 0 "[ . 1]" 1
180 1 20 THR H 1 20 THR HA . . 3.000 3.003 2.993 3.006 0.006 4 0 "[ . 1]" 1
181 1 20 THR H 1 20 THR HB . . 2.800 2.680 2.616 2.874 0.074 7 0 "[ . 1]" 1
182 1 20 THR H 1 49 ILE H . . 5.000 4.823 4.797 4.875 . 0 0 "[ . 1]" 1
183 1 13 SER HA 1 20 THR H . . 5.200 4.882 4.834 4.937 . 0 0 "[ . 1]" 1
184 1 13 SER QB 1 20 THR H . . 5.400 4.178 3.894 4.813 . 0 0 "[ . 1]" 1
185 1 14 ARG HA 1 20 THR H . . 3.400 3.413 3.403 3.439 0.039 8 0 "[ . 1]" 1
186 1 14 ARG QB 1 20 THR H . . 6.400 4.807 4.609 4.922 . 0 0 "[ . 1]" 1
187 1 20 THR HA 1 21 LEU H . . 2.400 2.120 2.085 2.162 . 0 0 "[ . 1]" 1
188 1 20 THR H 1 21 LEU H . . 4.600 4.414 4.349 4.523 . 0 0 "[ . 1]" 1
189 1 20 THR HB 1 21 LEU H . . 5.000 4.190 4.101 4.269 . 0 0 "[ . 1]" 1
190 1 20 THR MG 1 21 LEU H . . 5.000 2.942 2.653 3.804 . 0 0 "[ . 1]" 1
191 1 21 LEU H 1 21 LEU HA . . 2.900 2.965 2.956 2.970 0.070 4 0 "[ . 1]" 1
192 1 21 LEU H 1 21 LEU HB3 . . 3.600 3.549 3.409 3.606 0.006 7 0 "[ . 1]" 1
193 1 21 LEU H 1 21 LEU HB2 . . 3.600 2.348 2.244 2.430 . 0 0 "[ . 1]" 1
194 1 21 LEU H 1 49 ILE H . . 4.000 3.881 3.749 4.010 0.010 8 0 "[ . 1]" 1
195 1 21 LEU H 1 51 GLN H . . 4.000 3.937 3.589 4.050 0.050 3 0 "[ . 1]" 1
196 1 21 LEU H 1 50 ASP HA . . 2.600 3.090 2.915 3.429 0.829 8 4 "[ * . -+ *]" 1
197 1 21 LEU HA 1 22 ILE H . . 2.400 2.189 2.153 2.243 . 0 0 "[ . 1]" 1
198 1 21 LEU H 1 22 ILE H . . 4.600 4.385 4.205 4.489 . 0 0 "[ . 1]" 1
199 1 21 LEU HB3 1 22 ILE H . . 4.800 3.493 3.351 3.857 . 0 0 "[ . 1]" 1
200 1 21 LEU HB2 1 22 ILE H . . 4.800 4.412 4.325 4.627 . 0 0 "[ . 1]" 1
201 1 22 ILE H 1 22 ILE HA . . 3.000 2.996 2.989 3.005 0.005 8 0 "[ . 1]" 1
202 1 22 ILE H 1 22 ILE HB . . 2.800 2.789 2.726 2.828 0.028 2 0 "[ . 1]" 1
203 1 22 ILE H 1 22 ILE HG13 . . 4.400 3.171 2.800 4.209 . 0 0 "[ . 1]" 1
204 1 22 ILE H 1 22 ILE HG12 . . 4.400 3.711 2.644 3.995 . 0 0 "[ . 1]" 1
205 1 12 ILE HA 1 22 ILE H . . 3.800 3.275 3.096 3.365 . 0 0 "[ . 1]" 1
206 1 11 SER HA 1 22 ILE H . . 5.200 5.031 4.942 5.089 . 0 0 "[ . 1]" 1
207 1 11 SER QB 1 22 ILE H . . 5.800 4.017 3.372 4.814 . 0 0 "[ . 1]" 1
208 1 22 ILE H 1 52 ILE MD . . 6.800 3.589 2.831 4.410 . 0 0 "[ . 1]" 1
209 1 22 ILE HA 1 23 GLY H . . 2.400 2.292 2.206 2.384 . 0 0 "[ . 1]" 1
210 1 22 ILE H 1 23 GLY H . . 4.800 4.386 4.262 4.505 . 0 0 "[ . 1]" 1
211 1 22 ILE HB 1 23 GLY H . . 4.800 4.133 3.864 4.344 . 0 0 "[ . 1]" 1
212 1 22 ILE MG 1 23 GLY H . . 5.400 2.627 2.320 2.937 . 0 0 "[ . 1]" 1
213 1 23 GLY H 1 23 GLY HA3 . . 2.900 2.880 2.841 2.924 0.024 9 0 "[ . 1]" 1
214 1 23 GLY H 1 23 GLY HA2 . . 2.800 2.793 2.692 2.835 0.035 6 0 "[ . 1]" 1
215 1 10 LEU HA 1 23 GLY H . . 4.800 4.798 4.580 4.879 0.079 1 0 "[ . 1]" 1
216 1 23 GLY H 1 53 HIS H . . 3.600 3.536 3.425 3.637 0.037 10 0 "[ . 1]" 1
217 1 23 GLY H 1 51 GLN H . . 5.200 4.852 4.604 5.106 . 0 0 "[ . 1]" 1
218 1 23 GLY H 1 52 ILE HA . . 2.400 2.389 2.344 2.468 0.068 3 0 "[ . 1]" 1
219 1 23 GLY H 1 52 ILE H . . 5.000 4.517 4.371 4.646 . 0 0 "[ . 1]" 1
220 1 23 GLY H 1 52 ILE MD . . 5.800 3.771 2.412 4.635 . 0 0 "[ . 1]" 1
221 1 23 GLY H 1 24 ASP HB2 . . 5.800 5.377 5.042 5.864 0.064 10 0 "[ . 1]" 1
222 1 23 GLY HA3 1 24 ASP H . . 2.400 2.156 2.020 2.237 . 0 0 "[ . 1]" 1
223 1 23 GLY HA2 1 24 ASP H . . 2.800 2.812 2.746 2.848 0.048 7 0 "[ . 1]" 1
224 1 24 ASP H 1 24 ASP HA . . 2.800 2.887 2.858 2.911 0.111 6 0 "[ . 1]" 1
225 1 10 LEU HA 1 24 ASP H . . 3.600 3.301 3.037 3.618 0.018 4 0 "[ . 1]" 1
226 1 10 LEU HG 1 24 ASP H . . 5.000 4.118 2.235 4.916 . 0 0 "[ . 1]" 1
227 1 10 LEU MD1 1 24 ASP H . . 5.400 3.216 2.389 4.527 . 0 0 "[ . 1]" 1
228 1 24 ASP H 1 53 HIS HB3 . . 5.800 5.230 4.893 5.615 . 0 0 "[ . 1]" 1
229 1 24 ASP HA 1 25 PHE H . . 2.400 2.299 2.227 2.415 0.015 8 0 "[ . 1]" 1
230 1 24 ASP H 1 25 PHE H . . 4.600 4.297 4.142 4.387 . 0 0 "[ . 1]" 1
231 1 24 ASP QB 1 25 PHE H . . 4.600 3.508 3.035 3.794 . 0 0 "[ . 1]" 1
232 1 25 PHE H 1 25 PHE HA . . 2.800 2.894 2.849 2.925 0.125 4 0 "[ . 1]" 1
233 1 25 PHE H 1 54 VAL HA . . 3.200 2.775 2.552 2.940 . 0 0 "[ . 1]" 1
234 1 25 PHE H 1 54 VAL H . . 4.800 4.710 4.537 4.813 0.013 10 0 "[ . 1]" 1
235 1 25 PHE H 1 53 HIS H . . 5.000 4.512 4.294 4.663 . 0 0 "[ . 1]" 1
236 1 25 PHE H 1 53 HIS HB3 . . 5.400 4.301 4.052 4.755 . 0 0 "[ . 1]" 1
237 1 25 PHE H 1 27 ASP H . . 5.000 5.010 4.964 5.051 0.051 9 0 "[ . 1]" 1
238 1 25 PHE H 1 58 VAL MG2 . . 6.000 3.594 3.205 4.226 . 0 0 "[ . 1]" 1
239 1 25 PHE H 1 26 PRO HD3 . . 5.000 4.978 4.844 5.033 0.033 1 0 "[ . 1]" 1
240 1 25 PHE H 1 26 PRO HD2 . . 5.000 4.858 4.829 4.895 . 0 0 "[ . 1]" 1
241 1 25 PHE HA 1 26 PRO HD3 . . 2.800 2.576 2.500 2.630 . 0 0 "[ . 1]" 1
242 1 25 PHE HA 1 26 PRO HD2 . . 2.800 2.651 2.593 2.734 . 0 0 "[ . 1]" 1
243 1 26 PRO HA 1 27 ASP H . . 3.600 3.595 3.559 3.610 0.010 8 0 "[ . 1]" 1
244 1 26 PRO HD3 1 27 ASP H . . 4.800 4.016 3.962 4.069 . 0 0 "[ . 1]" 1
245 1 26 PRO HD2 1 27 ASP H . . 2.800 2.844 2.798 2.869 0.069 4 0 "[ . 1]" 1
246 1 26 PRO HB2 1 27 ASP H . . 3.600 3.478 3.394 3.605 0.005 10 0 "[ . 1]" 1
247 1 26 PRO HG2 1 27 ASP H . . 3.000 2.653 2.579 2.783 . 0 0 "[ . 1]" 1
248 1 27 ASP H 1 27 ASP HA . . 2.900 2.907 2.893 2.915 0.015 4 0 "[ . 1]" 1
249 1 25 PHE HD1 1 27 ASP H . . 5.400 4.544 4.068 5.045 . 0 0 "[ . 1]" 1
250 1 25 PHE HA 1 27 ASP H . . 4.400 4.401 4.349 4.430 0.030 5 0 "[ . 1]" 1
251 1 25 PHE HB3 1 27 ASP H . . 2.800 2.276 2.223 2.344 . 0 0 "[ . 1]" 1
252 1 25 PHE HB2 1 27 ASP H . . 3.800 3.446 3.308 3.535 . 0 0 "[ . 1]" 1
253 1 27 ASP H 1 29 ALA H . . 4.600 4.723 4.706 4.747 0.147 7 0 "[ . 1]" 1
254 1 27 ASP H 1 29 ALA MB . . 6.400 5.232 5.133 5.350 . 0 0 "[ . 1]" 1
255 1 27 ASP H 1 30 ALA MB . . 3.800 2.958 2.826 3.057 . 0 0 "[ . 1]" 1
256 1 27 ASP H 1 54 VAL HA . . 5.400 4.761 4.683 4.835 . 0 0 "[ . 1]" 1
257 1 27 ASP H 1 54 VAL MG1 . . 5.000 3.544 3.321 3.799 . 0 0 "[ . 1]" 1
258 1 27 ASP HA 1 28 GLU H . . 2.600 2.285 2.238 2.343 . 0 0 "[ . 1]" 1
259 1 27 ASP H 1 28 GLU H . . 4.000 4.349 4.317 4.385 0.385 9 0 "[ . 1]" 1
260 1 27 ASP HB2 1 28 GLU H . . 2.800 2.275 2.159 2.374 . 0 0 "[ . 1]" 1
261 1 27 ASP HB3 1 28 GLU H . . 3.400 3.450 3.432 3.468 0.068 10 0 "[ . 1]" 1
262 1 28 GLU H 1 28 GLU HA . . 2.600 2.867 2.851 2.898 0.298 10 0 "[ . 1]" 1
263 1 28 GLU H 1 28 GLU HB3 . . 3.600 2.622 2.540 2.702 . 0 0 "[ . 1]" 1
264 1 28 GLU H 1 28 GLU HB2 . . 3.600 2.185 2.128 2.263 . 0 0 "[ . 1]" 1
265 1 28 GLU H 1 54 VAL MG1 . . 5.800 3.362 3.062 3.586 . 0 0 "[ . 1]" 1
266 1 28 GLU HA 1 29 ALA H . . 3.600 3.446 3.392 3.485 . 0 0 "[ . 1]" 1
267 1 28 GLU H 1 29 ALA H . . 2.800 2.574 2.486 2.626 . 0 0 "[ . 1]" 1
268 1 28 GLU HB3 1 29 ALA H . . 3.600 2.731 2.663 2.832 . 0 0 "[ . 1]" 1
269 1 28 GLU HB2 1 29 ALA H . . 3.600 3.720 3.682 3.757 0.157 8 0 "[ . 1]" 1
270 1 28 GLU HG3 1 29 ALA H . . 4.800 4.707 4.333 4.866 0.066 5 0 "[ . 1]" 1
271 1 28 GLU HG2 1 29 ALA H . . 4.800 4.465 4.196 4.853 0.053 7 0 "[ . 1]" 1
272 1 29 ALA H 1 29 ALA HA . . 2.800 2.875 2.859 2.900 0.100 5 0 "[ . 1]" 1
273 1 27 ASP HA 1 29 ALA H . . 4.400 4.055 3.976 4.156 . 0 0 "[ . 1]" 1
274 1 29 ALA H 1 31 LYS H . . 4.400 4.154 4.075 4.253 . 0 0 "[ . 1]" 1
275 1 27 ASP QB 1 29 ALA H . . 4.400 2.418 2.282 2.556 . 0 0 "[ . 1]" 1
276 1 29 ALA H 1 54 VAL MG1 . . 6.800 5.338 5.106 5.492 . 0 0 "[ . 1]" 1
277 1 29 ALA HA 1 30 ALA H . . 3.600 3.537 3.528 3.550 . 0 0 "[ . 1]" 1
278 1 29 ALA H 1 30 ALA H . . 2.800 2.627 2.498 2.706 . 0 0 "[ . 1]" 1
279 1 29 ALA MB 1 30 ALA H . . 4.600 2.824 2.782 2.848 . 0 0 "[ . 1]" 1
280 1 30 ALA H 1 30 ALA HA . . 2.800 2.877 2.863 2.887 0.087 7 0 "[ . 1]" 1
281 1 30 ALA H 1 32 ALA H . . 4.400 4.010 3.911 4.080 . 0 0 "[ . 1]" 1
282 1 30 ALA H 1 33 ALA H . . 5.000 4.844 4.729 4.946 . 0 0 "[ . 1]" 1
283 1 27 ASP HA 1 30 ALA H . . 4.800 4.863 4.825 4.886 0.086 3 0 "[ . 1]" 1
284 1 27 ASP HB3 1 30 ALA H . . 5.400 4.969 4.937 4.988 . 0 0 "[ . 1]" 1
285 1 27 ASP HB2 1 30 ALA H . . 5.000 3.953 3.851 4.067 . 0 0 "[ . 1]" 1
286 1 28 GLU HA 1 30 ALA H . . 4.200 4.203 3.993 4.255 0.055 7 0 "[ . 1]" 1
287 1 28 GLU HB3 1 30 ALA H . . 5.000 5.050 5.010 5.080 0.080 10 0 "[ . 1]" 1
288 1 25 PHE QD 1 30 ALA H . . 6.800 4.964 4.757 5.107 . 0 0 "[ . 1]" 1
289 1 25 PHE HB3 1 30 ALA H . . 5.000 4.341 4.254 4.461 . 0 0 "[ . 1]" 1
290 1 30 ALA HA 1 31 LYS H . . 3.600 3.566 3.524 3.595 . 0 0 "[ . 1]" 1
291 1 30 ALA H 1 31 LYS H . . 2.800 2.639 2.556 2.704 . 0 0 "[ . 1]" 1
292 1 30 ALA MB 1 31 LYS H . . 5.000 2.632 2.511 2.719 . 0 0 "[ . 1]" 1
293 1 31 LYS H 1 31 LYS HA . . 2.800 2.866 2.858 2.879 0.079 5 0 "[ . 1]" 1
294 1 25 PHE QD 1 31 LYS H . . 6.800 3.677 3.032 4.261 . 0 0 "[ . 1]" 1
295 1 28 GLU HA 1 31 LYS H . . 3.500 3.353 3.136 3.511 0.011 4 0 "[ . 1]" 1
296 1 29 ALA HA 1 31 LYS H . . 4.400 4.411 4.370 4.442 0.042 5 0 "[ . 1]" 1
297 1 31 LYS H 1 33 ALA H . . 4.200 4.213 4.119 4.247 0.047 4 0 "[ . 1]" 1
298 1 31 LYS HA 1 32 ALA H . . 3.600 3.543 3.489 3.564 . 0 0 "[ . 1]" 1
299 1 31 LYS H 1 32 ALA H . . 2.800 2.654 2.593 2.704 . 0 0 "[ . 1]" 1
300 1 31 LYS QB 1 32 ALA H . . 4.600 2.720 2.491 3.751 . 0 0 "[ . 1]" 1
301 1 32 ALA H 1 32 ALA HA . . 2.800 2.827 2.816 2.844 0.044 5 0 "[ . 1]" 1
302 1 28 GLU HA 1 32 ALA H . . 4.200 4.171 4.053 4.233 0.033 4 0 "[ . 1]" 1
303 1 29 ALA HA 1 32 ALA H . . 3.500 3.257 3.052 3.427 . 0 0 "[ . 1]" 1
304 1 30 ALA HA 1 32 ALA H . . 4.400 4.376 4.252 4.417 0.017 9 0 "[ . 1]" 1
305 1 32 ALA H 1 34 LEU H . . 4.200 4.253 4.216 4.288 0.088 8 0 "[ . 1]" 1
306 1 32 ALA HA 1 33 ALA H . . 3.600 3.585 3.572 3.595 . 0 0 "[ . 1]" 1
307 1 32 ALA H 1 33 ALA H . . 2.800 2.792 2.741 2.814 0.014 10 0 "[ . 1]" 1
308 1 32 ALA MB 1 33 ALA H . . 4.600 2.700 2.646 2.782 . 0 0 "[ . 1]" 1
309 1 33 ALA H 1 33 ALA HA . . 2.800 2.854 2.843 2.870 0.070 4 0 "[ . 1]" 1
310 1 29 ALA HA 1 33 ALA H . . 4.400 4.268 4.023 4.425 0.025 8 0 "[ . 1]" 1
311 1 30 ALA HA 1 33 ALA H . . 3.500 3.433 3.293 3.501 0.001 2 0 "[ . 1]" 1
312 1 31 LYS HA 1 33 ALA H . . 4.400 4.328 3.996 4.423 0.023 6 0 "[ . 1]" 1
313 1 33 ALA H 1 35 MET H . . 4.200 4.210 4.128 4.265 0.065 1 0 "[ . 1]" 1
314 1 33 ALA HA 1 34 LEU H . . 3.600 3.585 3.553 3.604 0.004 2 0 "[ . 1]" 1
315 1 33 ALA H 1 34 LEU H . . 2.800 2.732 2.658 2.810 0.010 8 0 "[ . 1]" 1
316 1 33 ALA MB 1 34 LEU H . . 4.600 2.705 2.645 2.770 . 0 0 "[ . 1]" 1
317 1 34 LEU H 1 34 LEU HA . . 2.800 2.855 2.843 2.874 0.074 8 0 "[ . 1]" 1
318 1 34 LEU H 1 34 LEU HB3 . . 3.600 2.266 2.088 3.493 . 0 0 "[ . 1]" 1
319 1 34 LEU H 1 34 LEU HB2 . . 3.600 2.608 2.202 2.719 . 0 0 "[ . 1]" 1
320 1 34 LEU H 1 34 LEU HG . . 4.000 4.114 4.042 4.147 0.147 1 0 "[ . 1]" 1
321 1 25 PHE QD 1 34 LEU H . . 7.000 6.173 6.016 6.261 . 0 0 "[ . 1]" 1
322 1 30 ALA HA 1 34 LEU H . . 4.800 4.615 4.318 4.819 0.019 5 0 "[ . 1]" 1
323 1 31 LYS HA 1 34 LEU H . . 3.500 3.343 3.013 3.505 0.005 1 0 "[ . 1]" 1
324 1 32 ALA HA 1 34 LEU H . . 4.400 4.396 4.324 4.443 0.043 9 0 "[ . 1]" 1
325 1 34 LEU H 1 36 THR H . . 4.200 4.060 3.970 4.165 . 0 0 "[ . 1]" 1
326 1 34 LEU HA 1 35 MET H . . 3.600 3.587 3.537 3.609 0.009 5 0 "[ . 1]" 1
327 1 34 LEU H 1 35 MET H . . 2.800 2.649 2.558 2.758 . 0 0 "[ . 1]" 1
328 1 34 LEU HB3 1 35 MET H . . 4.400 2.841 2.754 3.117 . 0 0 "[ . 1]" 1
329 1 34 LEU HB2 1 35 MET H . . 4.400 3.975 2.724 4.166 . 0 0 "[ . 1]" 1
330 1 34 LEU MD1 1 35 MET H . . 6.400 4.366 4.310 4.646 . 0 0 "[ . 1]" 1
331 1 34 LEU MD2 1 35 MET H . . 6.400 4.272 4.117 4.444 . 0 0 "[ . 1]" 1
332 1 35 MET H 1 35 MET HA . . 2.800 2.873 2.850 2.891 0.091 3 0 "[ . 1]" 1
333 1 35 MET H 1 35 MET HB3 . . 3.600 3.030 2.593 3.605 0.005 10 0 "[ . 1]" 1
334 1 35 MET H 1 35 MET HB2 . . 3.600 3.154 2.374 3.665 0.065 3 0 "[ . 1]" 1
335 1 35 MET H 1 35 MET HG3 . . 4.000 3.216 2.342 3.543 . 0 0 "[ . 1]" 1
336 1 35 MET H 1 35 MET HG2 . . 4.000 2.474 2.035 3.605 . 0 0 "[ . 1]" 1
337 1 31 LYS HA 1 35 MET H . . 4.600 4.207 3.998 4.566 . 0 0 "[ . 1]" 1
338 1 32 ALA HA 1 35 MET H . . 3.500 3.411 3.285 3.521 0.021 9 0 "[ . 1]" 1
339 1 33 ALA HA 1 35 MET H . . 4.400 4.462 4.440 4.482 0.082 9 0 "[ . 1]" 1
340 1 35 MET H 1 37 ALA H . . 4.200 4.210 4.177 4.222 0.022 8 0 "[ . 1]" 1
341 1 35 MET HA 1 36 THR H . . 3.600 3.520 3.489 3.552 . 0 0 "[ . 1]" 1
342 1 35 MET H 1 36 THR H . . 2.800 2.595 2.541 2.683 . 0 0 "[ . 1]" 1
343 1 35 MET HB3 1 36 THR H . . 4.200 3.905 3.523 4.214 0.014 1 0 "[ . 1]" 1
344 1 35 MET HB2 1 36 THR H . . 4.000 3.471 2.625 4.063 0.063 5 0 "[ . 1]" 1
345 1 35 MET HG3 1 36 THR H . . 4.800 3.543 2.634 4.871 0.071 8 0 "[ . 1]" 1
346 1 35 MET HG2 1 36 THR H . . 4.800 3.645 2.667 4.889 0.089 10 0 "[ . 1]" 1
347 1 36 THR H 1 36 THR HA . . 2.800 2.858 2.852 2.867 0.067 1 0 "[ . 1]" 1
348 1 36 THR H 1 36 THR HB . . 3.000 2.519 2.435 2.570 . 0 0 "[ . 1]" 1
349 1 36 THR H 1 39 ASN HB3 . . 5.800 4.882 4.769 4.946 . 0 0 "[ . 1]" 1
350 1 36 THR H 1 39 ASN HB2 . . 5.800 5.010 4.870 5.097 . 0 0 "[ . 1]" 1
351 1 32 ALA HA 1 36 THR H . . 4.200 3.992 3.844 4.145 . 0 0 "[ . 1]" 1
352 1 33 ALA HA 1 36 THR H . . 3.500 3.433 3.304 3.510 0.010 8 0 "[ . 1]" 1
353 1 34 LEU HA 1 36 THR H . . 4.400 4.428 4.377 4.498 0.098 8 0 "[ . 1]" 1
354 1 36 THR H 1 38 LEU H . . 4.200 4.265 4.235 4.279 0.079 7 0 "[ . 1]" 1
355 1 36 THR HA 1 37 ALA H . . 3.600 3.592 3.574 3.605 0.005 8 0 "[ . 1]" 1
356 1 36 THR H 1 37 ALA H . . 2.800 2.708 2.666 2.738 . 0 0 "[ . 1]" 1
357 1 36 THR HB 1 37 ALA H . . 3.400 2.749 2.685 2.795 . 0 0 "[ . 1]" 1
358 1 36 THR MG 1 37 ALA H . . 5.400 3.563 3.465 3.602 . 0 0 "[ . 1]" 1
359 1 37 ALA H 1 37 ALA HA . . 2.800 2.801 2.791 2.812 0.012 8 0 "[ . 1]" 1
360 1 37 ALA H 1 39 ASN HB3 . . 5.800 5.107 5.066 5.140 . 0 0 "[ . 1]" 1
361 1 37 ALA H 1 39 ASN HB2 . . 5.800 5.668 5.543 5.755 . 0 0 "[ . 1]" 1
362 1 37 ALA H 1 67 GLU HA . . 5.000 5.091 5.066 5.114 0.114 8 0 "[ . 1]" 1
363 1 37 ALA H 1 67 GLU QB . . 6.200 4.877 4.646 5.166 . 0 0 "[ . 1]" 1
364 1 37 ALA H 1 67 GLU QG . . 6.800 5.057 4.059 5.545 . 0 0 "[ . 1]" 1
365 1 33 ALA HA 1 37 ALA H . . 4.200 4.133 3.997 4.229 0.029 7 0 "[ . 1]" 1
366 1 34 LEU HA 1 37 ALA H . . 3.600 3.574 3.474 3.642 0.042 9 0 "[ . 1]" 1
367 1 35 MET HA 1 37 ALA H . . 4.400 4.364 4.263 4.422 0.022 8 0 "[ . 1]" 1
368 1 37 ALA H 1 39 ASN H . . 4.200 4.061 4.009 4.109 . 0 0 "[ . 1]" 1
369 1 37 ALA HA 1 38 LEU H . . 3.600 3.584 3.574 3.594 . 0 0 "[ . 1]" 1
370 1 37 ALA H 1 38 LEU H . . 2.800 2.822 2.791 2.834 0.034 9 0 "[ . 1]" 1
371 1 37 ALA MB 1 38 LEU H . . 5.400 2.721 2.656 2.859 . 0 0 "[ . 1]" 1
372 1 38 LEU H 1 38 LEU HA . . 2.800 2.912 2.885 2.926 0.126 6 0 "[ . 1]" 1
373 1 38 LEU H 1 38 LEU HB3 . . 3.400 2.869 2.737 3.471 0.071 3 0 "[ . 1]" 1
374 1 38 LEU H 1 38 LEU HB2 . . 3.600 3.522 2.190 3.676 0.076 5 0 "[ . 1]" 1
375 1 38 LEU H 1 67 GLU HA . . 6.000 4.953 4.833 5.035 . 0 0 "[ . 1]" 1
376 1 38 LEU H 1 39 ASN HB3 . . 5.800 4.643 4.528 4.731 . 0 0 "[ . 1]" 1
377 1 38 LEU H 1 39 ASN HB2 . . 5.800 4.636 4.546 4.739 . 0 0 "[ . 1]" 1
378 1 38 LEU H 1 70 PHE QD . . 6.800 4.075 3.781 4.223 . 0 0 "[ . 1]" 1
379 1 34 LEU HA 1 38 LEU H . . 5.200 4.718 4.491 4.915 . 0 0 "[ . 1]" 1
380 1 35 MET HA 1 38 LEU H . . 3.500 3.477 3.342 3.531 0.031 6 0 "[ . 1]" 1
381 1 36 THR HA 1 38 LEU H . . 4.400 4.346 4.258 4.408 0.008 3 0 "[ . 1]" 1
382 1 38 LEU H 1 40 GLY H . . 4.200 4.113 4.076 4.148 . 0 0 "[ . 1]" 1
383 1 38 LEU HA 1 39 ASN H . . 3.600 3.477 3.444 3.540 . 0 0 "[ . 1]" 1
384 1 38 LEU H 1 39 ASN H . . 2.800 2.417 2.337 2.515 . 0 0 "[ . 1]" 1
385 1 38 LEU HG 1 39 ASN H . . 5.000 3.230 2.897 4.619 . 0 0 "[ . 1]" 1
386 1 38 LEU MD1 1 39 ASN H . . 6.800 2.895 2.674 4.509 . 0 0 "[ . 1]" 1
387 1 38 LEU MD2 1 39 ASN H . . 6.800 4.566 4.427 4.802 . 0 0 "[ . 1]" 1
388 1 39 ASN H 1 39 ASN HA . . 2.800 2.851 2.842 2.868 0.068 6 0 "[ . 1]" 1
389 1 39 ASN H 1 39 ASN HB3 . . 3.400 2.486 2.448 2.533 . 0 0 "[ . 1]" 1
390 1 39 ASN H 1 39 ASN HB2 . . 3.400 2.508 2.470 2.548 . 0 0 "[ . 1]" 1
391 1 35 MET HA 1 39 ASN H . . 4.400 4.200 4.035 4.291 . 0 0 "[ . 1]" 1
392 1 36 THR HA 1 39 ASN H . . 3.500 3.262 3.143 3.375 . 0 0 "[ . 1]" 1
393 1 37 ALA HA 1 39 ASN H . . 4.400 4.431 4.419 4.450 0.050 3 0 "[ . 1]" 1
394 1 39 ASN H 1 41 LEU H . . 4.400 4.459 4.440 4.487 0.087 9 0 "[ . 1]" 1
395 1 39 ASN H 1 67 GLU HA . . 6.200 6.204 6.120 6.253 0.053 3 0 "[ . 1]" 1
396 1 37 ALA MB 1 39 ASN H . . 6.400 4.527 4.483 4.619 . 0 0 "[ . 1]" 1
397 1 39 ASN HA 1 40 GLY H . . 3.600 3.483 3.443 3.507 . 0 0 "[ . 1]" 1
398 1 39 ASN H 1 40 GLY H . . 2.800 2.578 2.527 2.622 . 0 0 "[ . 1]" 1
399 1 39 ASN HB3 1 40 GLY H . . 4.000 2.889 2.843 2.950 . 0 0 "[ . 1]" 1
400 1 39 ASN HB2 1 40 GLY H . . 4.000 4.022 4.012 4.035 0.035 3 0 "[ . 1]" 1
401 1 40 GLY H 1 40 GLY HA2 . . 2.800 2.784 2.769 2.797 . 0 0 "[ . 1]" 1
402 1 40 GLY H 1 40 GLY HA3 . . 2.800 2.243 2.236 2.253 . 0 0 "[ . 1]" 1
403 1 36 THR HA 1 40 GLY H . . 4.200 4.123 3.978 4.204 0.004 1 0 "[ . 1]" 1
404 1 37 ALA HA 1 40 GLY H . . 4.000 3.963 3.805 4.017 0.017 5 0 "[ . 1]" 1
405 1 38 LEU HA 1 40 GLY H . . 4.400 4.007 3.877 4.185 . 0 0 "[ . 1]" 1
406 1 40 GLY H 1 42 LEU H . . 4.200 3.985 3.949 4.027 . 0 0 "[ . 1]" 1
407 1 40 GLY H 1 67 GLU QB . . 6.400 5.258 4.570 5.546 . 0 0 "[ . 1]" 1
408 1 40 GLY H 1 67 GLU QG . . 6.400 4.258 3.673 5.710 . 0 0 "[ . 1]" 1
409 1 40 GLY H 1 70 PHE QB . . 6.400 5.537 5.335 5.669 . 0 0 "[ . 1]" 1
410 1 40 GLY HA2 1 41 LEU H . . 3.600 3.533 3.522 3.576 . 0 0 "[ . 1]" 1
411 1 40 GLY HA3 1 41 LEU H . . 3.600 2.864 2.789 2.896 . 0 0 "[ . 1]" 1
412 1 40 GLY H 1 41 LEU H . . 2.800 2.863 2.850 2.873 0.073 3 0 "[ . 1]" 1
413 1 41 LEU H 1 41 LEU HA . . 2.800 2.929 2.917 2.933 0.133 5 0 "[ . 1]" 1
414 1 41 LEU H 1 41 LEU HB3 . . 3.000 3.068 3.027 3.103 0.103 3 0 "[ . 1]" 1
415 1 41 LEU H 1 41 LEU HB2 . . 3.600 2.754 2.581 3.053 . 0 0 "[ . 1]" 1
416 1 37 ALA HA 1 41 LEU H . . 6.000 5.906 5.734 6.009 0.009 9 0 "[ . 1]" 1
417 1 38 LEU HA 1 41 LEU H . . 4.000 3.922 3.799 4.034 0.034 3 0 "[ . 1]" 1
418 1 39 ASN HA 1 41 LEU H . . 4.400 3.965 3.869 4.059 . 0 0 "[ . 1]" 1
419 1 41 LEU HA 1 42 LEU H . . 3.600 3.103 3.034 3.189 . 0 0 "[ . 1]" 1
420 1 41 LEU H 1 42 LEU H . . 2.600 2.115 2.042 2.178 . 0 0 "[ . 1]" 1
421 1 42 LEU H 1 42 LEU HA . . 2.800 2.835 2.822 2.843 0.043 7 0 "[ . 1]" 1
422 1 42 LEU H 1 42 LEU HB3 . . 3.600 2.509 2.450 2.593 . 0 0 "[ . 1]" 1
423 1 42 LEU H 1 42 LEU HB2 . . 3.600 2.470 2.418 2.517 . 0 0 "[ . 1]" 1
424 1 42 LEU H 1 42 LEU MD1 . . 5.800 4.211 4.055 4.257 . 0 0 "[ . 1]" 1
425 1 42 LEU H 1 42 LEU MD2 . . 5.800 4.232 4.182 4.297 . 0 0 "[ . 1]" 1
426 1 38 LEU HA 1 42 LEU H . . 5.000 4.975 4.729 5.026 0.026 6 0 "[ . 1]" 1
427 1 39 ASN HA 1 42 LEU H . . 3.600 3.073 2.921 3.201 . 0 0 "[ . 1]" 1
428 1 40 GLY HA2 1 42 LEU H . . 4.400 4.445 4.345 4.701 0.301 3 0 "[ . 1]" 1
429 1 42 LEU HA 1 43 ALA H . . 2.600 2.191 2.175 2.203 . 0 0 "[ . 1]" 1
430 1 42 LEU H 1 43 ALA H . . 4.600 4.635 4.622 4.649 0.049 10 0 "[ . 1]" 1
431 1 42 LEU QB 1 43 ALA H . . 5.800 3.753 3.673 3.812 . 0 0 "[ . 1]" 1
432 1 42 LEU MD1 1 43 ALA H . . 5.400 4.136 2.711 4.455 . 0 0 "[ . 1]" 1
433 1 42 LEU MD2 1 43 ALA H . . 5.400 3.297 3.054 4.505 . 0 0 "[ . 1]" 1
434 1 43 ALA H 1 43 ALA HA . . 2.800 2.896 2.885 2.914 0.114 7 0 "[ . 1]" 1
435 1 43 ALA H 1 46 VAL H . . 3.200 4.323 4.225 4.375 1.175 10 10 [******-**+] 1
436 1 43 ALA H 1 46 VAL HB . . 4.000 3.151 2.971 3.322 . 0 0 "[ . 1]" 1
437 1 43 ALA H 1 46 VAL MG2 . . 5.000 2.535 2.439 2.653 . 0 0 "[ . 1]" 1
438 1 43 ALA H 1 44 PRO QD . . 3.400 4.414 4.405 4.429 1.029 2 10 [*+*******-] 1
439 1 43 ALA HA 1 44 PRO QD . . 2.800 2.152 2.126 2.199 . 0 0 "[ . 1]" 1
440 1 44 PRO HA 1 45 GLY H . . 2.400 2.065 2.056 2.079 . 0 0 "[ . 1]" 1
441 1 44 PRO QD 1 45 GLY H . . 5.600 4.696 4.675 4.738 . 0 0 "[ . 1]" 1
442 1 44 PRO HB3 1 45 GLY H . . 4.400 4.217 4.197 4.229 . 0 0 "[ . 1]" 1
443 1 44 PRO HB2 1 45 GLY H . . 4.000 4.005 3.979 4.013 0.013 4 0 "[ . 1]" 1
444 1 45 GLY H 1 45 GLY HA3 . . 3.000 2.995 2.993 2.998 . 0 0 "[ . 1]" 1
445 1 45 GLY H 1 45 GLY HA2 . . 2.400 2.461 2.449 2.469 0.069 10 0 "[ . 1]" 1
446 1 43 ALA MB 1 45 GLY H . . 6.800 4.836 4.787 4.936 . 0 0 "[ . 1]" 1
447 1 45 GLY HA3 1 46 VAL H . . 3.400 3.264 3.245 3.281 . 0 0 "[ . 1]" 1
448 1 45 GLY HA2 1 46 VAL H . . 3.400 3.402 3.392 3.409 0.009 1 0 "[ . 1]" 1
449 1 45 GLY H 1 46 VAL H . . 2.200 2.200 2.182 2.257 0.057 7 0 "[ . 1]" 1
450 1 46 VAL H 1 46 VAL HA . . 2.800 2.868 2.862 2.874 0.074 8 0 "[ . 1]" 1
451 1 46 VAL H 1 46 VAL HB . . 3.000 2.471 2.430 2.500 . 0 0 "[ . 1]" 1
452 1 46 VAL H 1 46 VAL MG2 . . 4.600 2.275 2.262 2.290 . 0 0 "[ . 1]" 1
453 1 17 ASN HA 1 46 VAL H . . 6.000 5.281 5.218 5.338 . 0 0 "[ . 1]" 1
454 1 17 ASN HB3 1 46 VAL H . . 6.000 4.443 4.215 4.579 . 0 0 "[ . 1]" 1
455 1 43 ALA MB 1 46 VAL H . . 6.000 3.865 3.818 3.943 . 0 0 "[ . 1]" 1
456 1 44 PRO HA 1 46 VAL H . . 3.600 3.677 3.663 3.685 0.085 4 0 "[ . 1]" 1
457 1 46 VAL HA 1 47 ASN H . . 2.400 2.147 2.124 2.164 . 0 0 "[ . 1]" 1
458 1 46 VAL H 1 47 ASN H . . 4.800 4.454 4.416 4.494 . 0 0 "[ . 1]" 1
459 1 46 VAL HB 1 47 ASN H . . 4.800 4.408 4.367 4.439 . 0 0 "[ . 1]" 1
460 1 46 VAL MG2 1 47 ASN H . . 5.800 4.076 4.039 4.110 . 0 0 "[ . 1]" 1
461 1 46 VAL MG1 1 47 ASN H . . 5.400 3.073 2.998 3.132 . 0 0 "[ . 1]" 1
462 1 47 ASN H 1 47 ASN HA . . 2.800 2.865 2.858 2.875 0.075 7 0 "[ . 1]" 1
463 1 47 ASN H 1 47 ASN HB3 . . 4.000 2.508 2.481 2.533 . 0 0 "[ . 1]" 1
464 1 47 ASN H 1 47 ASN HB2 . . 4.000 2.353 2.330 2.369 . 0 0 "[ . 1]" 1
465 1 18 THR HA 1 47 ASN H . . 3.000 2.780 2.707 2.877 . 0 0 "[ . 1]" 1
466 1 18 THR HB 1 47 ASN H . . 5.400 5.339 5.286 5.402 0.002 7 0 "[ . 1]" 1
467 1 17 ASN HA 1 47 ASN H . . 4.000 4.164 4.086 4.200 0.200 10 0 "[ . 1]" 1
468 1 17 ASN HB3 1 47 ASN H . . 4.000 3.682 3.559 3.732 . 0 0 "[ . 1]" 1
469 1 17 ASN HB2 1 47 ASN H . . 5.000 4.575 4.537 4.622 . 0 0 "[ . 1]" 1
470 1 47 ASN HA 1 48 VAL H . . 2.400 2.348 2.314 2.382 . 0 0 "[ . 1]" 1
471 1 47 ASN H 1 48 VAL H . . 4.800 4.661 4.633 4.687 . 0 0 "[ . 1]" 1
472 1 47 ASN QB 1 48 VAL H . . 5.000 3.490 3.410 3.545 . 0 0 "[ . 1]" 1
473 1 48 VAL H 1 48 VAL HA . . 3.000 2.976 2.962 2.982 . 0 0 "[ . 1]" 1
474 1 48 VAL H 1 48 VAL HB . . 3.000 2.923 2.855 3.085 0.085 6 0 "[ . 1]" 1
475 1 18 THR HA 1 48 VAL H . . 5.400 4.906 4.798 4.993 . 0 0 "[ . 1]" 1
476 1 48 VAL HA 1 49 ILE H . . 2.400 2.150 2.139 2.170 . 0 0 "[ . 1]" 1
477 1 48 VAL H 1 49 ILE H . . 4.800 4.299 4.240 4.385 . 0 0 "[ . 1]" 1
478 1 48 VAL HB 1 49 ILE H . . 4.800 4.111 4.052 4.173 . 0 0 "[ . 1]" 1
479 1 48 VAL MG1 1 49 ILE H . . 5.400 2.880 2.556 3.892 . 0 0 "[ . 1]" 1
480 1 48 VAL MG2 1 49 ILE H . . 6.800 3.801 2.464 4.165 . 0 0 "[ . 1]" 1
481 1 49 ILE H 1 49 ILE HA . . 3.000 2.998 2.992 3.004 0.004 7 0 "[ . 1]" 1
482 1 49 ILE H 1 49 ILE HB . . 3.000 2.583 2.549 2.624 . 0 0 "[ . 1]" 1
483 1 49 ILE H 1 49 ILE HG13 . . 4.400 3.170 2.901 4.342 . 0 0 "[ . 1]" 1
484 1 49 ILE H 1 49 ILE HG12 . . 4.400 4.116 3.158 4.298 . 0 0 "[ . 1]" 1
485 1 20 THR HA 1 49 ILE H . . 3.000 2.823 2.734 2.868 . 0 0 "[ . 1]" 1
486 1 18 THR HA 1 49 ILE H . . 6.000 5.752 5.661 5.904 . 0 0 "[ . 1]" 1
487 1 49 ILE H 1 50 ASP HB2 . . 6.000 5.523 4.768 6.023 0.023 2 0 "[ . 1]" 1
488 1 49 ILE HA 1 50 ASP H . . 2.600 2.160 2.078 2.196 . 0 0 "[ . 1]" 1
489 1 49 ILE H 1 50 ASP H . . 4.800 4.375 4.069 4.435 . 0 0 "[ . 1]" 1
490 1 49 ILE HB 1 50 ASP H . . 4.400 4.128 3.918 4.428 0.028 8 0 "[ . 1]" 1
491 1 49 ILE HG13 1 50 ASP H . . 4.800 4.860 4.845 4.892 0.092 4 0 "[ . 1]" 1
492 1 49 ILE HG12 1 50 ASP H . . 4.800 4.306 4.161 4.831 0.031 4 0 "[ . 1]" 1
493 1 50 ASP H 1 50 ASP HA . . 3.000 2.993 2.972 3.000 0.000 1 0 "[ . 1]" 1
494 1 50 ASP H 1 50 ASP HB3 . . 3.600 3.114 2.408 3.695 0.095 4 0 "[ . 1]" 1
495 1 50 ASP H 1 50 ASP HB2 . . 3.000 2.744 2.431 3.049 0.049 5 0 "[ . 1]" 1
496 1 50 ASP HA 1 51 GLN H . . 2.400 2.128 2.099 2.175 . 0 0 "[ . 1]" 1
497 1 50 ASP H 1 51 GLN H . . 4.800 4.358 4.266 4.464 . 0 0 "[ . 1]" 1
498 1 50 ASP HB3 1 51 GLN H . . 4.400 3.827 3.297 4.377 . 0 0 "[ . 1]" 1
499 1 50 ASP HB2 1 51 GLN H . . 4.400 4.316 4.240 4.387 . 0 0 "[ . 1]" 1
500 1 51 GLN H 1 51 GLN HA . . 2.800 2.913 2.904 2.924 0.124 3 0 "[ . 1]" 1
501 1 51 GLN H 1 51 GLN HB3 . . 3.600 2.911 2.866 3.030 . 0 0 "[ . 1]" 1
502 1 51 GLN H 1 51 GLN HB2 . . 3.600 2.871 2.504 2.958 . 0 0 "[ . 1]" 1
503 1 51 GLN H 1 51 GLN HG3 . . 4.600 4.628 4.611 4.674 0.074 9 0 "[ . 1]" 1
504 1 51 GLN H 1 51 GLN HG2 . . 4.600 4.604 4.301 4.660 0.060 1 0 "[ . 1]" 1
505 1 22 ILE HA 1 51 GLN H . . 4.000 3.335 3.104 3.801 . 0 0 "[ . 1]" 1
506 1 51 GLN HA 1 52 ILE H . . 3.000 2.988 2.897 3.043 0.043 5 0 "[ . 1]" 1
507 1 51 GLN H 1 52 ILE H . . 2.800 2.321 2.179 2.464 . 0 0 "[ . 1]" 1
508 1 51 GLN HB3 1 52 ILE H . . 4.800 4.126 4.049 4.237 . 0 0 "[ . 1]" 1
509 1 51 GLN HB2 1 52 ILE H . . 4.800 4.502 4.332 4.592 . 0 0 "[ . 1]" 1
510 1 52 ILE H 1 52 ILE HA . . 2.600 2.920 2.898 2.952 0.352 4 0 "[ . 1]" 1
511 1 52 ILE H 1 52 ILE HB . . 2.800 2.409 2.218 2.784 . 0 0 "[ . 1]" 1
512 1 52 ILE H 1 52 ILE QG . . 5.000 2.600 2.254 3.609 . 0 0 "[ . 1]" 1
513 1 22 ILE HA 1 52 ILE H . . 4.000 4.131 3.978 4.409 0.409 8 0 "[ . 1]" 1
514 1 50 ASP HB3 1 52 ILE H . . 5.800 3.852 3.022 4.682 . 0 0 "[ . 1]" 1
515 1 50 ASP HB2 1 52 ILE H . . 5.800 4.724 4.622 4.819 . 0 0 "[ . 1]" 1
516 1 52 ILE HA 1 53 HIS H . . 2.400 2.128 2.063 2.193 . 0 0 "[ . 1]" 1
517 1 52 ILE H 1 53 HIS H . . 4.800 4.556 4.436 4.637 . 0 0 "[ . 1]" 1
518 1 52 ILE HB 1 53 HIS H . . 4.800 4.258 4.017 4.423 . 0 0 "[ . 1]" 1
519 1 52 ILE QG 1 53 HIS H . . 5.800 4.204 3.702 4.820 . 0 0 "[ . 1]" 1
520 1 52 ILE MG 1 53 HIS H . . 4.600 2.732 2.423 2.978 . 0 0 "[ . 1]" 1
521 1 53 HIS H 1 53 HIS HA . . 2.900 2.939 2.913 2.978 0.078 10 0 "[ . 1]" 1
522 1 24 ASP HA 1 53 HIS H . . 2.800 2.665 2.491 2.815 0.015 9 0 "[ . 1]" 1
523 1 24 ASP QB 1 53 HIS H . . 5.400 3.983 3.687 4.677 . 0 0 "[ . 1]" 1
524 1 53 HIS HA 1 54 VAL H . . 2.400 2.411 2.380 2.438 0.038 8 0 "[ . 1]" 1
525 1 53 HIS H 1 54 VAL H . . 4.200 4.596 4.531 4.639 0.439 3 0 "[ . 1]" 1
526 1 53 HIS QB 1 54 VAL H . . 3.800 3.279 3.066 3.398 . 0 0 "[ . 1]" 1
527 1 54 VAL H 1 54 VAL HA . . 2.900 2.959 2.953 2.965 0.065 8 0 "[ . 1]" 1
528 1 54 VAL H 1 54 VAL HB . . 2.800 2.750 2.668 2.812 0.012 3 0 "[ . 1]" 1
529 1 54 VAL HA 1 55 ASP H . . 2.400 2.144 2.131 2.167 . 0 0 "[ . 1]" 1
530 1 54 VAL H 1 55 ASP H . . 4.600 4.234 4.181 4.305 . 0 0 "[ . 1]" 1
531 1 54 VAL HB 1 55 ASP H . . 4.800 4.352 4.288 4.434 . 0 0 "[ . 1]" 1
532 1 54 VAL MG2 1 55 ASP H . . 6.800 4.053 3.988 4.118 . 0 0 "[ . 1]" 1
533 1 54 VAL MG1 1 55 ASP H . . 5.400 2.883 2.778 2.977 . 0 0 "[ . 1]" 1
534 1 55 ASP H 1 55 ASP HA . . 2.900 2.920 2.901 2.942 0.042 6 0 "[ . 1]" 1
535 1 55 ASP H 1 55 ASP HB3 . . 3.600 3.458 2.907 3.696 0.096 6 0 "[ . 1]" 1
536 1 55 ASP H 1 55 ASP HB2 . . 3.600 2.942 2.627 3.360 . 0 0 "[ . 1]" 1
537 1 55 ASP H 1 57 VAL H . . 5.000 4.968 4.852 5.056 0.056 7 0 "[ . 1]" 1
538 1 26 PRO HA 1 55 ASP H . . 3.400 3.180 2.836 3.320 . 0 0 "[ . 1]" 1
539 1 55 ASP H 1 56 PRO HD2 . . 4.800 4.779 4.659 4.816 0.016 3 0 "[ . 1]" 1
540 1 55 ASP H 1 56 PRO HD3 . . 4.400 4.331 4.096 4.422 0.022 2 0 "[ . 1]" 1
541 1 55 ASP HA 1 56 PRO HD3 . . 2.800 2.455 2.375 2.558 . 0 0 "[ . 1]" 1
542 1 55 ASP HA 1 56 PRO HD2 . . 2.800 2.267 2.194 2.311 . 0 0 "[ . 1]" 1
543 1 56 PRO HA 1 57 VAL H . . 3.600 3.373 3.330 3.443 . 0 0 "[ . 1]" 1
544 1 56 PRO HD3 1 57 VAL H . . 4.800 4.090 4.063 4.140 . 0 0 "[ . 1]" 1
545 1 56 PRO HD2 1 57 VAL H . . 3.000 3.015 3.006 3.036 0.036 1 0 "[ . 1]" 1
546 1 56 PRO HB2 1 57 VAL H . . 4.000 4.003 3.983 4.012 0.012 4 0 "[ . 1]" 1
547 1 56 PRO HG2 1 57 VAL H . . 3.200 3.184 3.132 3.203 0.003 2 0 "[ . 1]" 1
548 1 57 VAL H 1 57 VAL HA . . 2.900 2.905 2.879 2.930 0.030 4 0 "[ . 1]" 1
549 1 57 VAL H 1 57 VAL HB . . 2.800 2.523 2.355 2.654 . 0 0 "[ . 1]" 1
550 1 55 ASP HA 1 57 VAL H . . 4.000 3.844 3.707 3.922 . 0 0 "[ . 1]" 1
551 1 57 VAL HA 1 58 VAL H . . 3.400 3.383 3.267 3.431 0.031 10 0 "[ . 1]" 1
552 1 57 VAL H 1 58 VAL H . . 2.800 2.644 2.563 2.724 . 0 0 "[ . 1]" 1
553 1 57 VAL HB 1 58 VAL H . . 4.800 3.650 3.206 4.335 . 0 0 "[ . 1]" 1
554 1 57 VAL MG2 1 58 VAL H . . 6.800 4.172 4.039 4.344 . 0 0 "[ . 1]" 1
555 1 57 VAL MG1 1 58 VAL H . . 5.400 3.794 2.920 4.219 . 0 0 "[ . 1]" 1
556 1 58 VAL H 1 58 VAL HA . . 2.800 2.959 2.947 2.971 0.171 7 0 "[ . 1]" 1
557 1 58 VAL H 1 58 VAL HB . . 4.000 3.767 3.673 3.838 . 0 0 "[ . 1]" 1
558 1 56 PRO HA 1 58 VAL H . . 3.400 3.424 3.403 3.455 0.055 4 0 "[ . 1]" 1
559 1 56 PRO HD2 1 58 VAL H . . 5.800 5.265 5.137 5.326 . 0 0 "[ . 1]" 1
560 1 55 ASP HA 1 58 VAL H . . 5.400 5.273 5.017 5.418 0.018 9 0 "[ . 1]" 1
561 1 55 ASP HB3 1 58 VAL H . . 4.800 3.815 3.567 4.129 . 0 0 "[ . 1]" 1
562 1 55 ASP HB2 1 58 VAL H . . 5.200 4.827 4.180 5.261 0.061 7 0 "[ . 1]" 1
563 1 58 VAL HA 1 59 ARG H . . 2.600 2.224 2.130 2.326 . 0 0 "[ . 1]" 1
564 1 58 VAL H 1 59 ARG H . . 4.600 4.430 4.315 4.522 . 0 0 "[ . 1]" 1
565 1 58 VAL HB 1 59 ARG H . . 2.800 2.812 2.701 2.887 0.087 7 0 "[ . 1]" 1
566 1 58 VAL MG2 1 59 ARG H . . 6.000 3.707 2.909 4.098 . 0 0 "[ . 1]" 1
567 1 58 VAL MG1 1 59 ARG H . . 5.400 3.748 3.359 4.162 . 0 0 "[ . 1]" 1
568 1 59 ARG H 1 59 ARG HA . . 3.000 2.981 2.961 3.003 0.003 7 0 "[ . 1]" 1
569 1 59 ARG H 1 59 ARG QB . . 3.800 2.684 2.576 2.810 . 0 0 "[ . 1]" 1
570 1 7 LEU HA 1 59 ARG H . . 4.800 3.410 3.224 3.548 . 0 0 "[ . 1]" 1
571 1 7 LEU MD2 1 59 ARG H . . 6.800 5.337 3.846 5.708 . 0 0 "[ . 1]" 1
572 1 8 SER HB2 1 59 ARG H . . 5.000 3.837 3.012 4.665 . 0 0 "[ . 1]" 1
573 1 59 ARG HA 1 60 SER H . . 2.400 2.379 2.341 2.423 0.023 6 0 "[ . 1]" 1
574 1 59 ARG H 1 60 SER H . . 4.600 4.427 4.360 4.508 . 0 0 "[ . 1]" 1
575 1 59 ARG QB 1 60 SER H . . 5.800 3.097 2.635 3.681 . 0 0 "[ . 1]" 1
576 1 60 SER H 1 60 SER HA . . 3.000 2.986 2.976 2.993 . 0 0 "[ . 1]" 1
577 1 60 SER H 1 60 SER HB3 . . 4.000 3.435 2.879 3.840 . 0 0 "[ . 1]" 1
578 1 60 SER H 1 60 SER HB2 . . 4.000 2.841 2.434 3.652 . 0 0 "[ . 1]" 1
579 1 25 PHE HD1 1 60 SER H . . 4.400 4.012 3.977 4.072 . 0 0 "[ . 1]" 1
580 1 7 LEU MD1 1 60 SER H . . 6.400 4.926 3.455 5.363 . 0 0 "[ . 1]" 1
581 1 7 LEU HA 1 60 SER H . . 5.600 5.660 5.617 5.732 0.132 5 0 "[ . 1]" 1
582 1 60 SER HA 1 61 LEU H . . 2.800 2.387 2.237 2.469 . 0 0 "[ . 1]" 1
583 1 60 SER H 1 61 LEU H . . 4.400 4.404 4.363 4.436 0.036 2 0 "[ . 1]" 1
584 1 60 SER HB3 1 61 LEU H . . 3.600 2.498 2.061 3.405 . 0 0 "[ . 1]" 1
585 1 60 SER HB2 1 61 LEU H . . 3.600 3.218 1.960 3.619 0.019 6 0 "[ . 1]" 1
586 1 61 LEU H 1 61 LEU HA . . 3.000 2.901 2.871 2.932 . 0 0 "[ . 1]" 1
587 1 61 LEU H 1 61 LEU HB3 . . 4.000 3.130 2.677 3.588 . 0 0 "[ . 1]" 1
588 1 61 LEU H 1 61 LEU HB2 . . 4.000 3.003 2.042 3.562 . 0 0 "[ . 1]" 1
589 1 25 PHE QE 1 61 LEU H . . 6.800 4.254 3.927 4.647 . 0 0 "[ . 1]" 1
590 1 61 LEU HA 1 62 ASP H . . 2.600 2.459 2.277 2.612 0.012 4 0 "[ . 1]" 1
591 1 61 LEU H 1 62 ASP H . . 4.400 4.494 4.453 4.530 0.130 5 0 "[ . 1]" 1
592 1 61 LEU HB3 1 62 ASP H . . 4.000 3.052 2.199 3.653 . 0 0 "[ . 1]" 1
593 1 61 LEU HB2 1 62 ASP H . . 4.400 2.851 2.073 3.689 . 0 0 "[ . 1]" 1
594 1 61 LEU HG 1 62 ASP H . . 5.000 4.610 4.057 4.957 . 0 0 "[ . 1]" 1
595 1 62 ASP H 1 62 ASP HA . . 3.000 2.973 2.911 3.001 0.001 2 0 "[ . 1]" 1
596 1 62 ASP H 1 62 ASP HB3 . . 3.400 2.659 2.492 2.841 . 0 0 "[ . 1]" 1
597 1 62 ASP H 1 62 ASP HB2 . . 3.600 3.458 3.004 3.708 0.108 8 0 "[ . 1]" 1
598 1 62 ASP H 1 111 TRP HD1 . . 5.200 4.211 3.810 5.215 0.015 7 0 "[ . 1]" 1
599 1 62 ASP H 1 111 TRP HE1 . . 2.600 3.276 2.879 3.765 1.165 7 8 "[* - **+***]" 1
600 1 62 ASP HA 1 63 PHE H . . 2.800 2.254 2.153 2.366 . 0 0 "[ . 1]" 1
601 1 62 ASP H 1 63 PHE H . . 4.800 4.324 3.949 4.646 . 0 0 "[ . 1]" 1
602 1 62 ASP HB3 1 63 PHE H . . 4.800 4.326 3.851 4.640 . 0 0 "[ . 1]" 1
603 1 62 ASP HB2 1 63 PHE H . . 4.800 3.620 2.443 4.520 . 0 0 "[ . 1]" 1
604 1 63 PHE H 1 63 PHE HA . . 2.800 2.886 2.830 2.933 0.133 8 0 "[ . 1]" 1
605 1 63 PHE H 1 63 PHE HB3 . . 3.600 3.636 3.545 3.700 0.100 6 0 "[ . 1]" 1
606 1 63 PHE H 1 63 PHE HB2 . . 3.600 2.511 2.330 2.634 . 0 0 "[ . 1]" 1
607 1 33 ALA MB 1 63 PHE H . . 5.600 3.280 2.872 3.996 . 0 0 "[ . 1]" 1
608 1 37 ALA MB 1 63 PHE H . . 6.800 5.163 4.771 5.614 . 0 0 "[ . 1]" 1
609 1 34 LEU HA 1 63 PHE H . . 5.000 4.778 4.533 5.038 0.038 8 0 "[ . 1]" 1
610 1 63 PHE H 1 66 ALA MB . . 6.000 4.480 4.378 4.586 . 0 0 "[ . 1]" 1
611 1 63 PHE H 1 65 SER H . . 5.800 4.648 4.332 4.955 . 0 0 "[ . 1]" 1
612 1 63 PHE HA 1 64 SER H . . 3.200 3.265 3.172 3.315 0.115 2 0 "[ . 1]" 1
613 1 63 PHE H 1 64 SER H . . 3.600 2.509 2.049 2.896 . 0 0 "[ . 1]" 1
614 1 63 PHE HB3 1 64 SER H . . 4.400 4.309 4.191 4.398 . 0 0 "[ . 1]" 1
615 1 63 PHE HB2 1 64 SER H . . 4.400 3.729 3.493 3.982 . 0 0 "[ . 1]" 1
616 1 64 SER H 1 64 SER HA . . 2.800 2.833 2.814 2.847 0.047 5 0 "[ . 1]" 1
617 1 64 SER H 1 64 SER HB3 . . 3.600 3.608 3.584 3.635 0.035 2 0 "[ . 1]" 1
618 1 64 SER H 1 64 SER HB2 . . 3.600 2.594 2.524 2.668 . 0 0 "[ . 1]" 1
619 1 62 ASP HB3 1 64 SER H . . 4.800 4.252 4.017 4.640 . 0 0 "[ . 1]" 1
620 1 62 ASP HB2 1 64 SER H . . 4.800 3.499 2.461 4.650 . 0 0 "[ . 1]" 1
621 1 64 SER H 1 66 ALA H . . 4.800 3.911 3.734 4.108 . 0 0 "[ . 1]" 1
622 1 64 SER HA 1 65 SER H . . 3.600 3.549 3.510 3.582 . 0 0 "[ . 1]" 1
623 1 64 SER H 1 65 SER H . . 2.800 2.754 2.695 2.805 0.005 7 0 "[ . 1]" 1
624 1 64 SER HB3 1 65 SER H . . 3.800 3.786 3.691 3.835 0.035 9 0 "[ . 1]" 1
625 1 64 SER HB2 1 65 SER H . . 3.400 2.702 2.573 2.881 . 0 0 "[ . 1]" 1
626 1 65 SER H 1 65 SER HA . . 2.800 2.915 2.897 2.928 0.128 3 0 "[ . 1]" 1
627 1 65 SER H 1 65 SER HB3 . . 3.600 3.613 3.575 3.638 0.038 8 0 "[ . 1]" 1
628 1 65 SER H 1 65 SER HB2 . . 3.600 2.409 2.324 2.473 . 0 0 "[ . 1]" 1
629 1 65 SER H 1 67 GLU H . . 4.400 4.404 4.319 4.438 0.038 1 0 "[ . 1]" 1
630 1 65 SER HA 1 66 ALA H . . 3.600 3.336 3.258 3.440 . 0 0 "[ . 1]" 1
631 1 65 SER H 1 66 ALA H . . 2.800 2.575 2.457 2.661 . 0 0 "[ . 1]" 1
632 1 65 SER HB3 1 66 ALA H . . 4.400 4.354 4.219 4.411 0.011 9 0 "[ . 1]" 1
633 1 65 SER HB2 1 66 ALA H . . 4.400 3.700 3.403 3.855 . 0 0 "[ . 1]" 1
634 1 66 ALA H 1 66 ALA HA . . 2.800 2.907 2.886 2.919 0.119 5 0 "[ . 1]" 1
635 1 63 PHE HA 1 66 ALA H . . 3.600 2.737 2.608 2.943 . 0 0 "[ . 1]" 1
636 1 63 PHE HB3 1 66 ALA H . . 4.400 3.822 3.609 3.945 . 0 0 "[ . 1]" 1
637 1 63 PHE HB2 1 66 ALA H . . 4.800 4.836 4.821 4.865 0.065 10 0 "[ . 1]" 1
638 1 66 ALA H 1 111 TRP HH2 . . 6.000 5.706 5.366 5.943 . 0 0 "[ . 1]" 1
639 1 64 SER HA 1 66 ALA H . . 4.400 4.020 3.922 4.198 . 0 0 "[ . 1]" 1
640 1 66 ALA H 1 68 PRO HD2 . . 4.400 4.092 3.882 4.282 . 0 0 "[ . 1]" 1
641 1 66 ALA HA 1 67 GLU H . . 3.600 3.359 3.315 3.399 . 0 0 "[ . 1]" 1
642 1 66 ALA H 1 67 GLU H . . 2.800 2.470 2.352 2.582 . 0 0 "[ . 1]" 1
643 1 66 ALA MB 1 67 GLU H . . 5.800 3.275 3.240 3.338 . 0 0 "[ . 1]" 1
644 1 67 GLU H 1 67 GLU HA . . 2.800 2.780 2.767 2.792 . 0 0 "[ . 1]" 1
645 1 64 SER HA 1 67 GLU H . . 5.200 4.520 4.100 5.060 . 0 0 "[ . 1]" 1
646 1 65 SER HA 1 67 GLU H . . 4.400 3.487 3.316 3.757 . 0 0 "[ . 1]" 1
647 1 67 GLU H 1 69 VAL H . . 4.200 4.235 4.190 4.251 0.051 5 0 "[ . 1]" 1
648 1 37 ALA HA 1 67 GLU H . . 4.400 4.035 3.974 4.121 . 0 0 "[ . 1]" 1
649 1 37 ALA MB 1 67 GLU H . . 5.400 2.861 2.752 3.011 . 0 0 "[ . 1]" 1
650 1 37 ALA H 1 67 GLU H . . 6.000 5.823 5.715 5.957 . 0 0 "[ . 1]" 1
651 1 67 GLU HA 1 68 PRO HD3 . . 4.600 4.370 4.352 4.383 . 0 0 "[ . 1]" 1
652 1 67 GLU HA 1 68 PRO HD2 . . 4.600 3.970 3.935 3.995 . 0 0 "[ . 1]" 1
653 1 67 GLU H 1 68 PRO HD2 . . 3.200 2.530 2.509 2.551 . 0 0 "[ . 1]" 1
654 1 67 GLU H 1 68 PRO HD3 . . 4.600 3.578 3.505 3.710 . 0 0 "[ . 1]" 1
655 1 68 PRO HA 1 69 VAL H . . 3.600 3.541 3.529 3.556 . 0 0 "[ . 1]" 1
656 1 68 PRO HD2 1 69 VAL H . . 3.000 3.020 3.003 3.030 0.030 10 0 "[ . 1]" 1
657 1 68 PRO HB2 1 69 VAL H . . 4.000 3.688 3.587 3.740 . 0 0 "[ . 1]" 1
658 1 68 PRO HG2 1 69 VAL H . . 3.400 2.752 2.616 2.811 . 0 0 "[ . 1]" 1
659 1 69 VAL H 1 69 VAL HA . . 2.800 2.876 2.865 2.883 0.083 6 0 "[ . 1]" 1
660 1 69 VAL H 1 69 VAL HB . . 3.000 2.698 2.655 2.735 . 0 0 "[ . 1]" 1
661 1 66 ALA HA 1 69 VAL H . . 3.600 3.194 3.075 3.404 . 0 0 "[ . 1]" 1
662 1 67 GLU HA 1 69 VAL H . . 4.600 4.221 4.162 4.345 . 0 0 "[ . 1]" 1
663 1 69 VAL H 1 71 THR H . . 4.200 3.873 3.836 3.916 . 0 0 "[ . 1]" 1
664 1 69 VAL HA 1 70 PHE H . . 3.600 3.574 3.565 3.591 . 0 0 "[ . 1]" 1
665 1 69 VAL H 1 70 PHE H . . 2.800 2.616 2.584 2.687 . 0 0 "[ . 1]" 1
666 1 69 VAL HB 1 70 PHE H . . 3.000 2.595 2.559 2.636 . 0 0 "[ . 1]" 1
667 1 69 VAL MG2 1 70 PHE H . . 6.000 3.766 3.685 3.847 . 0 0 "[ . 1]" 1
668 1 69 VAL MG1 1 70 PHE H . . 6.000 3.650 3.599 3.708 . 0 0 "[ . 1]" 1
669 1 70 PHE H 1 70 PHE HA . . 2.800 2.877 2.869 2.885 0.085 4 0 "[ . 1]" 1
670 1 70 PHE H 1 70 PHE HB3 . . 3.600 3.609 3.602 3.615 0.015 10 0 "[ . 1]" 1
671 1 70 PHE H 1 70 PHE HB2 . . 3.600 2.470 2.434 2.500 . 0 0 "[ . 1]" 1
672 1 70 PHE H 1 70 PHE QD . . 4.800 2.911 2.646 3.128 . 0 0 "[ . 1]" 1
673 1 66 ALA HA 1 70 PHE H . . 4.800 4.672 4.368 4.825 0.025 10 0 "[ . 1]" 1
674 1 67 GLU HA 1 70 PHE H . . 3.800 3.635 3.577 3.689 . 0 0 "[ . 1]" 1
675 1 68 PRO HA 1 70 PHE H . . 4.400 4.429 4.408 4.453 0.053 6 0 "[ . 1]" 1
676 1 70 PHE H 1 72 ALA H . . 4.200 4.225 4.199 4.243 0.043 10 0 "[ . 1]" 1
677 1 70 PHE HA 1 71 THR H . . 3.600 3.561 3.523 3.585 . 0 0 "[ . 1]" 1
678 1 70 PHE H 1 71 THR H . . 2.800 2.616 2.556 2.685 . 0 0 "[ . 1]" 1
679 1 70 PHE HB3 1 71 THR H . . 4.000 3.835 3.769 3.924 . 0 0 "[ . 1]" 1
680 1 70 PHE HB2 1 71 THR H . . 4.000 2.901 2.793 2.956 . 0 0 "[ . 1]" 1
681 1 71 THR H 1 71 THR HA . . 2.800 2.849 2.838 2.865 0.065 6 0 "[ . 1]" 1
682 1 71 THR H 1 71 THR HB . . 3.200 2.404 2.277 2.501 . 0 0 "[ . 1]" 1
683 1 67 GLU HA 1 71 THR H . . 4.600 4.222 4.073 4.389 . 0 0 "[ . 1]" 1
684 1 68 PRO HA 1 71 THR H . . 3.400 3.102 2.994 3.201 . 0 0 "[ . 1]" 1
685 1 69 VAL HA 1 71 THR H . . 4.400 4.450 4.435 4.475 0.075 10 0 "[ . 1]" 1
686 1 71 THR H 1 73 SER H . . 4.200 4.146 4.052 4.210 0.010 3 0 "[ . 1]" 1
687 1 71 THR HA 1 72 ALA H . . 3.600 3.599 3.589 3.611 0.011 6 0 "[ . 1]" 1
688 1 71 THR H 1 72 ALA H . . 2.800 2.780 2.718 2.814 0.014 2 0 "[ . 1]" 1
689 1 71 THR HB 1 72 ALA H . . 3.400 2.696 2.581 2.835 . 0 0 "[ . 1]" 1
690 1 71 THR MG 1 72 ALA H . . 5.800 3.355 3.190 3.439 . 0 0 "[ . 1]" 1
691 1 72 ALA H 1 72 ALA HA . . 2.800 2.843 2.835 2.852 0.052 10 0 "[ . 1]" 1
692 1 68 PRO HA 1 72 ALA H . . 4.800 3.831 3.615 4.026 . 0 0 "[ . 1]" 1
693 1 69 VAL HA 1 72 ALA H . . 3.600 3.554 3.451 3.614 0.014 6 0 "[ . 1]" 1
694 1 70 PHE HA 1 72 ALA H . . 4.400 4.356 4.223 4.426 0.026 6 0 "[ . 1]" 1
695 1 72 ALA H 1 74 VAL H . . 4.600 4.359 4.272 4.551 . 0 0 "[ . 1]" 1
696 1 72 ALA HA 1 73 SER H . . 3.600 3.536 3.451 3.580 . 0 0 "[ . 1]" 1
697 1 72 ALA H 1 73 SER H . . 2.800 2.786 2.705 2.819 0.019 9 0 "[ . 1]" 1
698 1 72 ALA MB 1 73 SER H . . 5.800 2.990 2.827 3.158 . 0 0 "[ . 1]" 1
699 1 73 SER H 1 73 SER HA . . 2.800 2.885 2.859 2.917 0.117 10 0 "[ . 1]" 1
700 1 73 SER H 1 73 SER HB3 . . 3.400 2.964 2.416 3.500 0.100 2 0 "[ . 1]" 1
701 1 73 SER H 1 73 SER HB2 . . 3.400 3.158 2.249 3.561 0.161 1 0 "[ . 1]" 1
702 1 69 VAL HA 1 73 SER H . . 5.000 4.770 4.455 5.015 0.015 10 0 "[ . 1]" 1
703 1 70 PHE HA 1 73 SER H . . 3.600 3.282 3.210 3.362 . 0 0 "[ . 1]" 1
704 1 71 THR HA 1 73 SER H . . 4.400 4.167 3.905 4.304 . 0 0 "[ . 1]" 1
705 1 73 SER HA 1 74 VAL H . . 3.600 3.335 3.274 3.442 . 0 0 "[ . 1]" 1
706 1 73 SER H 1 74 VAL H . . 2.800 2.620 2.457 2.796 . 0 0 "[ . 1]" 1
707 1 73 SER HB3 1 74 VAL H . . 4.800 4.449 4.082 4.595 . 0 0 "[ . 1]" 1
708 1 73 SER HB2 1 74 VAL H . . 4.800 4.175 3.616 4.459 . 0 0 "[ . 1]" 1
709 1 74 VAL H 1 74 VAL HA . . 2.800 2.804 2.755 2.829 0.029 9 0 "[ . 1]" 1
710 1 74 VAL H 1 74 VAL HB . . 2.800 2.487 2.429 2.559 . 0 0 "[ . 1]" 1
711 1 71 THR HA 1 74 VAL H . . 3.800 3.557 3.497 3.622 . 0 0 "[ . 1]" 1
712 1 70 PHE HA 1 74 VAL H . . 4.800 4.791 4.648 4.837 0.037 5 0 "[ . 1]" 1
713 1 72 ALA HA 1 74 VAL H . . 4.800 4.145 3.977 4.460 . 0 0 "[ . 1]" 1
714 1 74 VAL HA 1 75 PRO HD2 . . 4.800 4.027 3.985 4.075 . 0 0 "[ . 1]" 1
715 1 74 VAL H 1 75 PRO HD2 . . 3.000 2.640 2.505 2.763 . 0 0 "[ . 1]" 1
716 1 74 VAL H 1 75 PRO HD3 . . 3.600 3.360 3.275 3.532 . 0 0 "[ . 1]" 1
717 1 75 PRO HA 1 76 ILE H . . 3.600 3.229 3.158 3.417 . 0 0 "[ . 1]" 1
718 1 75 PRO HD3 1 76 ILE H . . 4.800 4.271 4.154 4.310 . 0 0 "[ . 1]" 1
719 1 75 PRO HD2 1 76 ILE H . . 3.400 3.341 3.138 3.409 0.009 9 0 "[ . 1]" 1
720 1 76 ILE H 1 76 ILE HA . . 2.800 2.927 2.879 2.936 0.136 7 0 "[ . 1]" 1
721 1 76 ILE H 1 76 ILE HB . . 3.400 2.621 2.467 2.738 . 0 0 "[ . 1]" 1
722 1 73 SER HA 1 76 ILE H . . 4.600 3.729 3.594 3.976 . 0 0 "[ . 1]" 1
723 1 74 VAL HA 1 76 ILE H . . 4.800 3.657 3.465 3.769 . 0 0 "[ . 1]" 1
724 1 74 VAL H 1 76 ILE H . . 4.400 4.377 4.299 4.427 0.027 6 0 "[ . 1]" 1
725 1 76 ILE H 1 77 PRO HD3 . . 5.400 4.077 3.789 4.685 . 0 0 "[ . 1]" 1
726 1 76 ILE H 1 77 PRO HD2 . . 5.400 4.660 4.443 5.036 . 0 0 "[ . 1]" 1
727 1 76 ILE HA 1 77 PRO HD3 . . 2.800 2.657 2.403 2.817 0.017 7 0 "[ . 1]" 1
728 1 76 ILE HA 1 77 PRO HD2 . . 2.800 2.181 2.124 2.307 . 0 0 "[ . 1]" 1
729 1 77 PRO HA 1 78 ASP H . . 3.400 3.458 3.433 3.478 0.078 10 0 "[ . 1]" 1
730 1 77 PRO HD3 1 78 ASP H . . 4.600 4.002 3.948 4.065 . 0 0 "[ . 1]" 1
731 1 77 PRO HD2 1 78 ASP H . . 4.600 2.892 2.775 3.018 . 0 0 "[ . 1]" 1
732 1 77 PRO HG2 1 78 ASP H . . 2.800 2.702 2.595 2.821 0.021 6 0 "[ . 1]" 1
733 1 77 PRO HB2 1 78 ASP H . . 3.600 3.616 3.585 3.631 0.031 6 0 "[ . 1]" 1
734 1 78 ASP H 1 78 ASP HA . . 2.800 2.937 2.922 2.951 0.151 5 0 "[ . 1]" 1
735 1 78 ASP H 1 78 ASP HB3 . . 4.400 3.673 3.603 3.729 . 0 0 "[ . 1]" 1
736 1 78 ASP H 1 78 ASP HB2 . . 4.400 2.564 2.370 2.651 . 0 0 "[ . 1]" 1
737 1 76 ILE HA 1 78 ASP H . . 4.800 3.815 3.639 4.099 . 0 0 "[ . 1]" 1
738 1 76 ILE MG 1 78 ASP H . . 4.800 2.744 2.354 3.029 . 0 0 "[ . 1]" 1
739 1 78 ASP H 1 79 PHE HB3 . . 5.200 5.031 4.869 5.161 . 0 0 "[ . 1]" 1
740 1 78 ASP H 1 79 PHE HB2 . . 5.000 4.512 4.430 4.575 . 0 0 "[ . 1]" 1
741 1 78 ASP HA 1 79 PHE H . . 2.400 3.226 3.114 3.321 0.921 6 10 [****-+****] 1
742 1 78 ASP H 1 79 PHE H . . 3.200 2.534 2.438 2.631 . 0 0 "[ . 1]" 1
743 1 78 ASP HB3 1 79 PHE H . . 4.400 4.419 4.328 4.452 0.052 2 0 "[ . 1]" 1
744 1 78 ASP HB2 1 79 PHE H . . 4.600 3.804 3.659 3.996 . 0 0 "[ . 1]" 1
745 1 79 PHE H 1 79 PHE HA . . 2.600 2.760 2.729 2.801 0.201 6 0 "[ . 1]" 1
746 1 79 PHE H 1 79 PHE HB3 . . 4.400 2.582 2.454 2.680 . 0 0 "[ . 1]" 1
747 1 79 PHE H 1 79 PHE HB2 . . 4.400 2.420 2.381 2.470 . 0 0 "[ . 1]" 1
748 1 79 PHE HA 1 80 GLY H . . 2.400 2.260 2.234 2.291 . 0 0 "[ . 1]" 1
749 1 79 PHE H 1 80 GLY H . . 4.800 4.650 4.628 4.665 . 0 0 "[ . 1]" 1
750 1 79 PHE HB3 1 80 GLY H . . 4.400 3.874 3.782 3.929 . 0 0 "[ . 1]" 1
751 1 79 PHE HB2 1 80 GLY H . . 4.400 3.974 3.922 4.002 . 0 0 "[ . 1]" 1
752 1 79 PHE QD 1 80 GLY H . . 5.000 2.788 2.618 2.935 . 0 0 "[ . 1]" 1
753 1 80 GLY H 1 80 GLY HA2 . . 2.800 2.882 2.848 2.912 0.112 9 0 "[ . 1]" 1
754 1 80 GLY H 1 80 GLY HA3 . . 3.000 2.769 2.732 2.803 . 0 0 "[ . 1]" 1
755 1 80 GLY H 1 92 GLY QA . . 4.000 3.417 3.362 3.446 . 0 0 "[ . 1]" 1
756 1 80 GLY H 1 90 LEU HA . . 5.000 4.852 4.778 4.965 . 0 0 "[ . 1]" 1
757 1 80 GLY H 1 91 THR H . . 3.400 3.145 3.068 3.230 . 0 0 "[ . 1]" 1
758 1 13 SER HA 1 80 GLY H . . 5.000 4.772 4.711 4.878 . 0 0 "[ . 1]" 1
759 1 80 GLY HA2 1 81 LEU H . . 3.200 2.333 2.290 2.402 . 0 0 "[ . 1]" 1
760 1 80 GLY HA3 1 81 LEU H . . 2.400 2.669 2.596 2.773 0.373 7 0 "[ . 1]" 1
761 1 80 GLY H 1 81 LEU H . . 4.800 4.322 4.297 4.351 . 0 0 "[ . 1]" 1
762 1 81 LEU H 1 81 LEU HA . . 3.000 2.976 2.923 2.992 . 0 0 "[ . 1]" 1
763 1 81 LEU H 1 81 LEU HB3 . . 3.600 3.103 2.833 3.420 . 0 0 "[ . 1]" 1
764 1 81 LEU H 1 81 LEU HB2 . . 3.600 3.011 2.681 3.851 0.251 7 0 "[ . 1]" 1
765 1 13 SER HA 1 81 LEU H . . 3.600 3.639 3.613 3.694 0.094 7 0 "[ . 1]" 1
766 1 13 SER QB 1 81 LEU H . . 6.000 4.671 4.287 5.320 . 0 0 "[ . 1]" 1
767 1 11 SER HA 1 81 LEU H . . 4.800 4.745 4.614 4.803 0.003 3 0 "[ . 1]" 1
768 1 81 LEU H 1 91 THR H . . 5.000 4.884 4.819 4.952 . 0 0 "[ . 1]" 1
769 1 12 ILE HA 1 81 LEU H . . 5.200 4.648 4.461 4.734 . 0 0 "[ . 1]" 1
770 1 81 LEU HA 1 82 LYS H . . 2.400 2.185 2.142 2.266 . 0 0 "[ . 1]" 1
771 1 81 LEU H 1 82 LYS H . . 4.800 4.350 4.286 4.389 . 0 0 "[ . 1]" 1
772 1 81 LEU HB3 1 82 LYS H . . 3.600 3.541 3.141 3.764 0.164 8 0 "[ . 1]" 1
773 1 81 LEU HB2 1 82 LYS H . . 4.200 4.000 2.333 4.262 0.062 4 0 "[ . 1]" 1
774 1 82 LYS H 1 82 LYS HA . . 3.000 2.992 2.986 3.000 0.000 8 0 "[ . 1]" 1
775 1 82 LYS H 1 82 LYS HB3 . . 4.000 3.947 3.911 3.973 . 0 0 "[ . 1]" 1
776 1 82 LYS H 1 82 LYS HB2 . . 3.600 2.900 2.838 2.961 . 0 0 "[ . 1]" 1
777 1 82 LYS H 1 89 THR H . . 3.400 3.145 3.044 3.265 . 0 0 "[ . 1]" 1
778 1 82 LYS H 1 89 THR HB . . 4.800 3.215 2.988 3.436 . 0 0 "[ . 1]" 1
779 1 82 LYS H 1 90 LEU HA . . 3.600 3.669 3.645 3.688 0.088 10 0 "[ . 1]" 1
780 1 82 LYS H 1 91 THR H . . 5.000 5.005 4.909 5.047 0.047 7 0 "[ . 1]" 1
781 1 11 SER HA 1 82 LYS H . . 5.000 4.818 4.642 4.942 . 0 0 "[ . 1]" 1
782 1 82 LYS HA 1 83 VAL H . . 2.400 2.204 2.150 2.259 . 0 0 "[ . 1]" 1
783 1 82 LYS H 1 83 VAL H . . 4.800 4.395 4.325 4.455 . 0 0 "[ . 1]" 1
784 1 82 LYS HB3 1 83 VAL H . . 4.000 2.854 2.663 3.125 . 0 0 "[ . 1]" 1
785 1 82 LYS HB2 1 83 VAL H . . 4.200 3.955 3.761 4.176 . 0 0 "[ . 1]" 1
786 1 83 VAL H 1 83 VAL HA . . 3.000 2.995 2.984 3.006 0.006 3 0 "[ . 1]" 1
787 1 83 VAL H 1 83 VAL HB . . 2.800 2.784 2.695 2.813 0.013 7 0 "[ . 1]" 1
788 1 11 SER HA 1 83 VAL H . . 3.600 3.601 3.528 3.648 0.048 3 0 "[ . 1]" 1
789 1 11 SER QB 1 83 VAL H . . 6.000 4.376 3.426 5.113 . 0 0 "[ . 1]" 1
790 1 83 VAL HA 1 84 GLU H . . 2.400 2.188 2.148 2.221 . 0 0 "[ . 1]" 1
791 1 83 VAL H 1 84 GLU H . . 4.800 4.321 4.275 4.364 . 0 0 "[ . 1]" 1
792 1 83 VAL HB 1 84 GLU H . . 4.800 4.128 4.060 4.177 . 0 0 "[ . 1]" 1
793 1 83 VAL MG1 1 84 GLU H . . 5.800 2.663 2.544 2.762 . 0 0 "[ . 1]" 1
794 1 83 VAL MG2 1 84 GLU H . . 6.800 4.155 4.055 4.321 . 0 0 "[ . 1]" 1
795 1 84 GLU H 1 84 GLU HA . . 3.000 2.885 2.858 2.897 . 0 0 "[ . 1]" 1
796 1 84 GLU H 1 87 THR H . . 4.400 3.337 3.173 3.518 . 0 0 "[ . 1]" 1
797 1 84 GLU H 1 87 THR HA . . 5.400 5.129 5.008 5.185 . 0 0 "[ . 1]" 1
798 1 84 GLU H 1 89 THR H . . 5.000 5.030 5.008 5.050 0.050 3 0 "[ . 1]" 1
799 1 84 GLU H 1 88 VAL HA . . 4.200 3.791 3.645 4.033 . 0 0 "[ . 1]" 1
800 1 84 GLU H 1 88 VAL MG1 . . 7.000 4.498 4.016 5.406 . 0 0 "[ . 1]" 1
801 1 84 GLU H 1 88 VAL MG2 . . 7.000 5.368 4.201 5.880 . 0 0 "[ . 1]" 1
802 1 84 GLU HA 1 85 ARG H . . 2.400 2.217 2.135 2.291 . 0 0 "[ . 1]" 1
803 1 84 GLU H 1 85 ARG H . . 4.800 4.309 4.244 4.361 . 0 0 "[ . 1]" 1
804 1 84 GLU QB 1 85 ARG H . . 5.400 2.599 2.475 2.768 . 0 0 "[ . 1]" 1
805 1 84 GLU QG 1 85 ARG H . . 5.400 3.769 3.669 3.957 . 0 0 "[ . 1]" 1
806 1 85 ARG H 1 85 ARG HA . . 2.400 2.237 2.190 2.286 . 0 0 "[ . 1]" 1
807 1 9 LEU HA 1 85 ARG H . . 5.000 4.136 3.901 4.240 . 0 0 "[ . 1]" 1
808 1 6 SER HA 1 85 ARG H . . 5.000 4.798 4.588 4.994 . 0 0 "[ . 1]" 1
809 1 85 ARG H 1 87 THR H . . 5.200 4.772 4.663 4.814 . 0 0 "[ . 1]" 1
810 1 85 ARG HA 1 86 ASP H . . 3.600 3.530 3.481 3.583 . 0 0 "[ . 1]" 1
811 1 85 ARG H 1 86 ASP H . . 4.600 4.157 3.941 4.360 . 0 0 "[ . 1]" 1
812 1 85 ARG HB3 1 86 ASP H . . 2.800 2.742 2.425 2.861 0.061 1 0 "[ . 1]" 1
813 1 85 ARG HB2 1 86 ASP H . . 2.600 2.197 2.076 2.287 . 0 0 "[ . 1]" 1
814 1 86 ASP H 1 86 ASP HA . . 2.800 2.918 2.873 2.941 0.141 9 0 "[ . 1]" 1
815 1 86 ASP H 1 86 ASP HB3 . . 3.600 2.889 2.605 3.321 . 0 0 "[ . 1]" 1
816 1 86 ASP H 1 86 ASP HB2 . . 3.600 3.066 2.709 3.228 . 0 0 "[ . 1]" 1
817 1 6 SER HA 1 86 ASP H . . 5.000 4.870 4.420 5.033 0.033 1 0 "[ . 1]" 1
818 1 86 ASP H 1 87 THR HB . . 4.800 3.853 3.640 4.189 . 0 0 "[ . 1]" 1
819 1 86 ASP HA 1 87 THR H . . 3.600 3.011 2.778 3.175 . 0 0 "[ . 1]" 1
820 1 86 ASP H 1 87 THR H . . 2.200 2.240 2.120 2.452 0.252 4 0 "[ . 1]" 1
821 1 86 ASP HB3 1 87 THR H . . 4.600 4.084 3.946 4.279 . 0 0 "[ . 1]" 1
822 1 86 ASP HB2 1 87 THR H . . 4.600 4.545 4.437 4.619 0.019 8 0 "[ . 1]" 1
823 1 87 THR H 1 87 THR HA . . 2.900 2.966 2.951 2.975 0.075 7 0 "[ . 1]" 1
824 1 87 THR H 1 87 THR HB . . 3.000 2.747 2.659 3.055 0.055 8 0 "[ . 1]" 1
825 1 83 VAL HA 1 87 THR H . . 5.200 4.973 4.734 5.178 . 0 0 "[ . 1]" 1
826 1 84 GLU HA 1 87 THR H . . 5.400 4.878 4.777 5.014 . 0 0 "[ . 1]" 1
827 1 85 ARG HA 1 87 THR H . . 5.000 4.887 4.721 5.032 0.032 8 0 "[ . 1]" 1
828 1 85 ARG HB2 1 87 THR H . . 4.800 4.017 3.821 4.107 . 0 0 "[ . 1]" 1
829 1 87 THR H 1 115 LYS H . . 5.400 4.849 4.786 4.953 . 0 0 "[ . 1]" 1
830 1 87 THR HA 1 88 VAL H . . 2.400 2.203 2.133 2.244 . 0 0 "[ . 1]" 1
831 1 87 THR H 1 88 VAL H . . 4.600 4.403 4.346 4.440 . 0 0 "[ . 1]" 1
832 1 87 THR HB 1 88 VAL H . . 5.000 4.025 3.947 4.103 . 0 0 "[ . 1]" 1
833 1 87 THR MG 1 88 VAL H . . 5.000 2.616 2.434 3.392 . 0 0 "[ . 1]" 1
834 1 88 VAL H 1 88 VAL HA . . 2.900 2.959 2.952 2.968 0.068 7 0 "[ . 1]" 1
835 1 88 VAL H 1 88 VAL HB . . 3.600 3.402 2.667 3.708 0.108 2 0 "[ . 1]" 1
836 1 88 VAL H 1 115 LYS H . . 4.400 4.337 4.152 4.418 0.018 7 0 "[ . 1]" 1
837 1 88 VAL H 1 117 VAL H . . 4.800 3.948 3.656 4.112 . 0 0 "[ . 1]" 1
838 1 88 VAL H 1 116 ILE HA . . 3.200 2.881 2.710 3.116 . 0 0 "[ . 1]" 1
839 1 88 VAL H 1 116 ILE H . . 5.000 4.673 4.549 4.719 . 0 0 "[ . 1]" 1
840 1 83 VAL HA 1 88 VAL H . . 5.200 5.061 4.928 5.125 . 0 0 "[ . 1]" 1
841 1 88 VAL HA 1 89 THR H . . 2.400 2.128 2.090 2.168 . 0 0 "[ . 1]" 1
842 1 88 VAL H 1 89 THR H . . 4.800 4.351 4.110 4.423 . 0 0 "[ . 1]" 1
843 1 88 VAL HB 1 89 THR H . . 4.800 3.404 2.872 4.358 . 0 0 "[ . 1]" 1
844 1 88 VAL MG2 1 89 THR H . . 6.800 4.121 3.944 4.278 . 0 0 "[ . 1]" 1
845 1 88 VAL MG1 1 89 THR H . . 5.400 3.432 2.630 3.787 . 0 0 "[ . 1]" 1
846 1 89 THR H 1 89 THR HA . . 2.900 2.972 2.963 2.985 0.085 1 0 "[ . 1]" 1
847 1 89 THR H 1 89 THR HB . . 3.400 2.595 2.526 2.652 . 0 0 "[ . 1]" 1
848 1 83 VAL HA 1 89 THR H . . 3.400 3.394 3.270 3.451 0.051 1 0 "[ . 1]" 1
849 1 81 LEU HA 1 89 THR H . . 5.200 4.900 4.792 5.060 . 0 0 "[ . 1]" 1
850 1 82 LYS HA 1 89 THR H . . 5.000 4.865 4.746 4.961 . 0 0 "[ . 1]" 1
851 1 89 THR HA 1 90 LEU H . . 2.400 2.215 2.168 2.283 . 0 0 "[ . 1]" 1
852 1 89 THR H 1 90 LEU H . . 4.800 4.460 4.393 4.562 . 0 0 "[ . 1]" 1
853 1 89 THR HB 1 90 LEU H . . 5.000 4.092 4.028 4.160 . 0 0 "[ . 1]" 1
854 1 89 THR MG 1 90 LEU H . . 5.000 2.562 2.484 2.642 . 0 0 "[ . 1]" 1
855 1 90 LEU H 1 90 LEU HA . . 2.900 2.974 2.967 2.979 0.079 5 0 "[ . 1]" 1
856 1 90 LEU H 1 90 LEU HB3 . . 4.000 3.800 3.769 3.861 . 0 0 "[ . 1]" 1
857 1 90 LEU H 1 90 LEU HB2 . . 4.000 2.750 2.684 2.836 . 0 0 "[ . 1]" 1
858 1 90 LEU H 1 117 VAL H . . 4.400 4.084 3.833 4.293 . 0 0 "[ . 1]" 1
859 1 90 LEU H 1 117 VAL HA . . 5.800 5.096 4.988 5.223 . 0 0 "[ . 1]" 1
860 1 90 LEU H 1 119 ASN H . . 3.600 3.082 2.718 3.444 . 0 0 "[ . 1]" 1
861 1 90 LEU H 1 119 ASN HB3 . . 5.400 4.103 3.840 4.449 . 0 0 "[ . 1]" 1
862 1 90 LEU H 1 119 ASN HB2 . . 5.400 4.209 3.871 4.495 . 0 0 "[ . 1]" 1
863 1 90 LEU H 1 118 ASN HA . . 2.800 3.165 2.796 3.331 0.531 3 1 "[ + . 1]" 1
864 1 90 LEU H 1 118 ASN H . . 2.800 4.812 4.659 4.909 2.109 10 10 [******-**+] 1
865 1 90 LEU H 1 120 ILE H . . 5.200 4.933 4.604 5.247 0.047 7 0 "[ . 1]" 1
866 1 90 LEU HA 1 91 THR H . . 2.400 2.185 2.172 2.208 . 0 0 "[ . 1]" 1
867 1 90 LEU H 1 91 THR H . . 4.800 4.319 4.269 4.356 . 0 0 "[ . 1]" 1
868 1 90 LEU HB3 1 91 THR H . . 4.400 3.296 3.191 3.371 . 0 0 "[ . 1]" 1
869 1 90 LEU HB2 1 91 THR H . . 4.400 4.169 4.081 4.251 . 0 0 "[ . 1]" 1
870 1 90 LEU HG 1 91 THR H . . 4.600 4.622 4.584 4.661 0.061 9 0 "[ . 1]" 1
871 1 91 THR H 1 91 THR HA . . 2.900 2.982 2.972 2.988 0.088 2 0 "[ . 1]" 1
872 1 91 THR H 1 91 THR HB . . 3.000 2.757 2.667 3.033 0.033 1 0 "[ . 1]" 1
873 1 91 THR H 1 120 ILE H . . 5.400 5.212 5.009 5.425 0.025 10 0 "[ . 1]" 1
874 1 80 GLY HA2 1 91 THR H . . 5.400 4.940 4.872 5.029 . 0 0 "[ . 1]" 1
875 1 80 GLY HA3 1 91 THR H . . 5.400 4.365 4.226 4.524 . 0 0 "[ . 1]" 1
876 1 79 PHE HD1 1 91 THR H . . 4.800 4.227 4.132 4.283 . 0 0 "[ . 1]" 1
877 1 79 PHE HA 1 91 THR H . . 5.400 4.840 4.759 4.924 . 0 0 "[ . 1]" 1
878 1 81 LEU HA 1 91 THR H . . 3.400 3.360 3.101 3.440 0.040 4 0 "[ . 1]" 1
879 1 91 THR HA 1 92 GLY H . . 2.600 2.365 2.203 2.433 . 0 0 "[ . 1]" 1
880 1 91 THR H 1 92 GLY H . . 4.800 4.477 4.241 4.547 . 0 0 "[ . 1]" 1
881 1 91 THR HB 1 92 GLY H . . 4.400 3.995 3.813 4.347 . 0 0 "[ . 1]" 1
882 1 91 THR MG 1 92 GLY H . . 5.400 2.522 2.220 3.490 . 0 0 "[ . 1]" 1
883 1 92 GLY H 1 120 ILE H . . 4.000 4.352 3.996 4.546 0.546 10 1 "[ . +]" 1
884 1 92 GLY H 1 120 ILE HA . . 2.200 2.214 2.134 2.520 0.320 1 0 "[ . 1]" 1
885 1 92 GLY H 1 120 ILE MG . . 6.000 3.255 2.185 3.980 . 0 0 "[ . 1]" 1
886 1 92 GLY H 1 120 ILE MD . . 6.000 4.464 2.924 5.059 . 0 0 "[ . 1]" 1
887 1 92 GLY H 1 121 GLU H . . 4.800 3.436 3.177 3.615 . 0 0 "[ . 1]" 1
888 1 79 PHE QD 1 92 GLY H . . 7.400 4.642 3.987 4.852 . 0 0 "[ . 1]" 1
889 1 92 GLY H 1 119 ASN HB3 . . 5.400 4.695 4.583 4.814 . 0 0 "[ . 1]" 1
890 1 92 GLY QA 1 93 THR H . . 2.800 2.214 2.193 2.239 . 0 0 "[ . 1]" 1
891 1 92 GLY H 1 93 THR H . . 4.800 4.388 4.360 4.416 . 0 0 "[ . 1]" 1
892 1 93 THR H 1 93 THR HA . . 2.900 2.971 2.963 2.981 0.081 6 0 "[ . 1]" 1
893 1 79 PHE HA 1 93 THR H . . 3.600 3.683 3.651 3.719 0.119 6 0 "[ . 1]" 1
894 1 79 PHE HD1 1 93 THR H . . 5.400 4.520 4.340 4.753 . 0 0 "[ . 1]" 1
895 1 79 PHE H 1 93 THR H . . 5.000 3.954 3.759 4.219 . 0 0 "[ . 1]" 1
896 1 78 ASP H 1 93 THR H . . 5.000 3.718 3.224 4.372 . 0 0 "[ . 1]" 1
897 1 93 THR HA 1 94 ALA H . . 2.400 2.244 2.078 2.327 . 0 0 "[ . 1]" 1
898 1 93 THR H 1 94 ALA H . . 4.800 3.817 3.594 4.083 . 0 0 "[ . 1]" 1
899 1 93 THR HB 1 94 ALA H . . 4.000 4.064 4.020 4.123 0.123 7 0 "[ . 1]" 1
900 1 93 THR MG 1 94 ALA H . . 5.400 4.064 2.930 4.263 . 0 0 "[ . 1]" 1
901 1 94 ALA H 1 94 ALA HA . . 2.600 2.848 2.812 2.928 0.328 7 0 "[ . 1]" 1
902 1 94 ALA H 1 123 THR H . . 4.000 3.643 3.465 3.842 . 0 0 "[ . 1]" 1
903 1 94 ALA H 1 123 THR HA . . 4.800 4.807 4.644 4.849 0.049 7 0 "[ . 1]" 1
904 1 94 ALA H 1 123 THR HB . . 5.400 4.640 4.109 5.437 0.037 4 0 "[ . 1]" 1
905 1 94 ALA H 1 122 VAL HA . . 3.200 3.012 2.702 3.236 0.036 10 0 "[ . 1]" 1
906 1 94 ALA H 1 122 VAL H . . 5.000 4.785 4.637 4.865 . 0 0 "[ . 1]" 1
907 1 94 ALA H 1 121 GLU H . . 4.200 3.620 3.495 3.866 . 0 0 "[ . 1]" 1
908 1 94 ALA H 1 120 ILE MG . . 6.000 3.208 2.505 4.945 . 0 0 "[ . 1]" 1
909 1 94 ALA H 1 99 HIS HB3 . . 5.800 5.840 5.826 5.858 0.058 7 0 "[ . 1]" 1
910 1 94 ALA H 1 95 PRO QD . . 4.800 4.446 4.428 4.465 . 0 0 "[ . 1]" 1
911 1 94 ALA HA 1 95 PRO QD . . 2.800 2.174 2.129 2.207 . 0 0 "[ . 1]" 1
912 1 95 PRO HA 1 96 SER H . . 3.600 3.566 3.551 3.589 . 0 0 "[ . 1]" 1
913 1 95 PRO QD 1 96 SER H . . 2.200 2.836 2.728 2.889 0.689 4 10 [***+**-***] 1
914 1 95 PRO HG2 1 96 SER H . . 2.200 2.450 2.287 2.570 0.370 9 0 "[ . 1]" 1
915 1 96 SER H 1 96 SER HA . . 2.600 2.925 2.905 2.942 0.342 7 0 "[ . 1]" 1
916 1 96 SER H 1 98 GLU H . . 5.200 4.731 4.615 4.853 . 0 0 "[ . 1]" 1
917 1 96 SER H 1 123 THR H . . 5.400 5.109 4.987 5.279 . 0 0 "[ . 1]" 1
918 1 96 SER H 1 99 HIS H . . 4.400 3.488 3.417 3.554 . 0 0 "[ . 1]" 1
919 1 96 SER HA 1 99 HIS H . . 4.600 4.619 4.513 4.676 0.076 6 0 "[ . 1]" 1
920 1 96 SER H 1 99 HIS HB3 . . 3.800 3.762 3.647 3.818 0.018 1 0 "[ . 1]" 1
921 1 96 SER H 1 99 HIS HB2 . . 3.000 2.385 2.295 2.495 . 0 0 "[ . 1]" 1
922 1 94 ALA HA 1 96 SER H . . 4.400 4.313 4.288 4.334 . 0 0 "[ . 1]" 1
923 1 94 ALA MB 1 96 SER H . . 5.000 2.775 2.718 2.832 . 0 0 "[ . 1]" 1
924 1 96 SER HA 1 97 SER H . . 2.400 2.348 2.291 2.409 0.009 1 0 "[ . 1]" 1
925 1 96 SER H 1 97 SER H . . 4.800 4.373 4.318 4.418 . 0 0 "[ . 1]" 1
926 1 96 SER HB3 1 97 SER H . . 4.400 3.572 2.663 3.895 . 0 0 "[ . 1]" 1
927 1 96 SER HB2 1 97 SER H . . 4.400 3.733 2.443 3.940 . 0 0 "[ . 1]" 1
928 1 97 SER H 1 97 SER HA . . 2.800 2.838 2.822 2.852 0.052 4 0 "[ . 1]" 1
929 1 97 SER H 1 99 HIS H . . 5.000 4.383 4.251 4.468 . 0 0 "[ . 1]" 1
930 1 97 SER HA 1 99 HIS H . . 4.400 4.284 4.094 4.422 0.022 3 0 "[ . 1]" 1
931 1 97 SER HA 1 98 GLU H . . 3.400 3.464 3.452 3.487 0.087 6 0 "[ . 1]" 1
932 1 97 SER H 1 98 GLU H . . 3.200 2.644 2.559 2.700 . 0 0 "[ . 1]" 1
933 1 97 SER HB3 1 98 GLU H . . 4.400 4.188 4.018 4.266 . 0 0 "[ . 1]" 1
934 1 97 SER HB2 1 98 GLU H . . 4.400 3.853 3.112 4.006 . 0 0 "[ . 1]" 1
935 1 98 GLU H 1 98 GLU HA . . 2.800 2.858 2.847 2.872 0.072 6 0 "[ . 1]" 1
936 1 98 GLU H 1 98 GLU HB3 . . 3.600 3.218 2.622 3.632 0.032 6 0 "[ . 1]" 1
937 1 98 GLU H 1 98 GLU HB2 . . 3.000 2.414 2.312 2.572 . 0 0 "[ . 1]" 1
938 1 96 SER HA 1 98 GLU H . . 4.400 4.002 3.882 4.224 . 0 0 "[ . 1]" 1
939 1 98 GLU H 1 99 HIS HB3 . . 6.000 6.030 6.008 6.055 0.055 1 0 "[ . 1]" 1
940 1 98 GLU H 1 99 HIS HB2 . . 6.000 4.647 4.609 4.696 . 0 0 "[ . 1]" 1
941 1 98 GLU H 1 101 ASP HB3 . . 6.000 5.435 5.248 5.585 . 0 0 "[ . 1]" 1
942 1 98 GLU H 1 101 ASP HB2 . . 6.000 5.460 5.328 5.658 . 0 0 "[ . 1]" 1
943 1 98 GLU HA 1 99 HIS H . . 3.600 3.582 3.568 3.602 0.002 5 0 "[ . 1]" 1
944 1 98 GLU H 1 99 HIS H . . 2.800 2.714 2.635 2.772 . 0 0 "[ . 1]" 1
945 1 98 GLU HB3 1 99 HIS H . . 3.600 3.130 2.405 3.639 0.039 6 0 "[ . 1]" 1
946 1 98 GLU HB2 1 99 HIS H . . 3.600 3.065 2.601 3.676 0.076 2 0 "[ . 1]" 1
947 1 99 HIS H 1 99 HIS HA . . 2.800 2.869 2.862 2.887 0.087 1 0 "[ . 1]" 1
948 1 99 HIS H 1 99 HIS HB3 . . 3.600 3.493 3.444 3.530 . 0 0 "[ . 1]" 1
949 1 99 HIS H 1 99 HIS HB2 . . 3.600 2.226 2.188 2.253 . 0 0 "[ . 1]" 1
950 1 99 HIS H 1 101 ASP H . . 4.400 4.338 4.244 4.400 0.000 4 0 "[ . 1]" 1
951 1 99 HIS HA 1 100 LYS H . . 3.600 3.591 3.565 3.615 0.015 3 0 "[ . 1]" 1
952 1 99 HIS H 1 100 LYS H . . 2.800 2.731 2.631 2.788 . 0 0 "[ . 1]" 1
953 1 99 HIS HB3 1 100 LYS H . . 4.400 3.315 3.212 3.425 . 0 0 "[ . 1]" 1
954 1 99 HIS HB2 1 100 LYS H . . 4.400 3.098 3.062 3.180 . 0 0 "[ . 1]" 1
955 1 100 LYS H 1 100 LYS HA . . 2.800 2.861 2.834 2.905 0.105 3 0 "[ . 1]" 1
956 1 97 SER HA 1 100 LYS H . . 3.800 2.988 2.856 3.379 . 0 0 "[ . 1]" 1
957 1 98 GLU HA 1 100 LYS H . . 4.400 4.430 4.401 4.470 0.070 3 0 "[ . 1]" 1
958 1 100 LYS H 1 102 ALA H . . 4.200 4.145 4.095 4.201 0.001 10 0 "[ . 1]" 1
959 1 100 LYS HA 1 101 ASP H . . 3.600 3.538 3.520 3.552 . 0 0 "[ . 1]" 1
960 1 100 LYS H 1 101 ASP H . . 2.800 2.778 2.681 2.824 0.024 9 0 "[ . 1]" 1
961 1 100 LYS HB3 1 101 ASP H . . 4.400 3.200 2.589 4.243 . 0 0 "[ . 1]" 1
962 1 100 LYS HB2 1 101 ASP H . . 4.400 3.733 2.629 4.200 . 0 0 "[ . 1]" 1
963 1 101 ASP H 1 101 ASP HA . . 2.800 2.844 2.831 2.856 0.056 9 0 "[ . 1]" 1
964 1 101 ASP H 1 101 ASP HB3 . . 3.000 2.595 2.450 2.674 . 0 0 "[ . 1]" 1
965 1 101 ASP H 1 101 ASP HB2 . . 3.000 2.325 2.253 2.374 . 0 0 "[ . 1]" 1
966 1 97 SER HA 1 101 ASP H . . 4.600 3.932 3.788 4.101 . 0 0 "[ . 1]" 1
967 1 98 GLU HA 1 101 ASP H . . 3.500 3.517 3.496 3.531 0.031 3 0 "[ . 1]" 1
968 1 99 HIS HA 1 101 ASP H . . 5.000 4.541 4.466 4.585 . 0 0 "[ . 1]" 1
969 1 101 ASP H 1 103 VAL H . . 4.200 4.233 4.224 4.258 0.058 5 0 "[ . 1]" 1
970 1 101 ASP HA 1 102 ALA H . . 3.600 3.531 3.521 3.541 . 0 0 "[ . 1]" 1
971 1 101 ASP H 1 102 ALA H . . 2.800 2.666 2.631 2.740 . 0 0 "[ . 1]" 1
972 1 101 ASP HB3 1 102 ALA H . . 3.600 2.499 2.442 2.598 . 0 0 "[ . 1]" 1
973 1 101 ASP HB2 1 102 ALA H . . 3.600 3.701 3.685 3.717 0.117 1 0 "[ . 1]" 1
974 1 102 ALA H 1 102 ALA HA . . 2.800 2.841 2.830 2.847 0.047 1 0 "[ . 1]" 1
975 1 98 GLU HA 1 102 ALA H . . 4.200 3.974 3.877 4.061 . 0 0 "[ . 1]" 1
976 1 99 HIS HA 1 102 ALA H . . 3.500 3.390 3.254 3.499 . 0 0 "[ . 1]" 1
977 1 100 LYS HA 1 102 ALA H . . 4.400 4.453 4.413 4.474 0.074 10 0 "[ . 1]" 1
978 1 102 ALA H 1 104 LYS H . . 4.200 4.222 4.197 4.262 0.062 6 0 "[ . 1]" 1
979 1 102 ALA HA 1 103 VAL H . . 3.600 3.581 3.563 3.602 0.002 1 0 "[ . 1]" 1
980 1 102 ALA H 1 103 VAL H . . 2.800 2.802 2.788 2.829 0.029 3 0 "[ . 1]" 1
981 1 102 ALA MB 1 103 VAL H . . 5.400 2.690 2.654 2.745 . 0 0 "[ . 1]" 1
982 1 103 VAL H 1 103 VAL HA . . 2.800 2.877 2.871 2.883 0.083 5 0 "[ . 1]" 1
983 1 103 VAL H 1 103 VAL HB . . 3.000 2.457 2.370 2.520 . 0 0 "[ . 1]" 1
984 1 99 HIS HA 1 103 VAL H . . 4.400 3.986 3.868 4.102 . 0 0 "[ . 1]" 1
985 1 100 LYS HA 1 103 VAL H . . 3.500 3.489 3.382 3.542 0.042 7 0 "[ . 1]" 1
986 1 101 ASP HA 1 103 VAL H . . 4.400 4.447 4.426 4.459 0.059 8 0 "[ . 1]" 1
987 1 103 VAL H 1 105 ARG H . . 4.200 4.139 4.080 4.177 . 0 0 "[ . 1]" 1
988 1 103 VAL HA 1 104 LYS H . . 3.600 3.559 3.536 3.589 . 0 0 "[ . 1]" 1
989 1 103 VAL H 1 104 LYS H . . 2.800 2.651 2.610 2.710 . 0 0 "[ . 1]" 1
990 1 103 VAL HB 1 104 LYS H . . 4.400 2.796 2.674 2.873 . 0 0 "[ . 1]" 1
991 1 103 VAL MG2 1 104 LYS H . . 6.400 4.064 3.977 4.133 . 0 0 "[ . 1]" 1
992 1 103 VAL MG1 1 104 LYS H . . 5.800 3.455 3.334 3.546 . 0 0 "[ . 1]" 1
993 1 104 LYS H 1 104 LYS HA . . 2.800 2.866 2.848 2.899 0.099 6 0 "[ . 1]" 1
994 1 100 LYS HA 1 104 LYS H . . 4.400 4.247 4.119 4.408 0.008 1 0 "[ . 1]" 1
995 1 101 ASP HA 1 104 LYS H . . 3.500 3.484 3.418 3.517 0.017 9 0 "[ . 1]" 1
996 1 102 ALA HA 1 104 LYS H . . 4.400 4.446 4.403 4.475 0.075 2 0 "[ . 1]" 1
997 1 104 LYS H 1 106 ALA H . . 4.200 4.162 4.122 4.211 0.011 1 0 "[ . 1]" 1
998 1 104 LYS HA 1 105 ARG H . . 3.600 3.540 3.514 3.573 . 0 0 "[ . 1]" 1
999 1 104 LYS H 1 105 ARG H . . 2.800 2.693 2.588 2.774 . 0 0 "[ . 1]" 1
1000 1 104 LYS QB 1 105 ARG H . . 5.400 2.846 2.553 3.575 . 0 0 "[ . 1]" 1
1001 1 105 ARG H 1 105 ARG HA . . 2.800 2.867 2.860 2.876 0.076 9 0 "[ . 1]" 1
1002 1 101 ASP HA 1 105 ARG H . . 4.200 4.035 3.913 4.202 0.002 1 0 "[ . 1]" 1
1003 1 102 ALA HA 1 105 ARG H . . 3.500 3.384 3.220 3.512 0.012 2 0 "[ . 1]" 1
1004 1 103 VAL HA 1 105 ARG H . . 4.400 4.462 4.442 4.487 0.087 8 0 "[ . 1]" 1
1005 1 105 ARG H 1 107 ALA H . . 4.200 4.197 4.163 4.227 0.027 1 0 "[ . 1]" 1
1006 1 105 ARG HA 1 106 ALA H . . 3.600 3.551 3.535 3.568 . 0 0 "[ . 1]" 1
1007 1 105 ARG H 1 106 ALA H . . 2.800 2.678 2.631 2.767 . 0 0 "[ . 1]" 1
1008 1 105 ARG QB 1 106 ALA H . . 5.000 2.747 2.669 2.859 . 0 0 "[ . 1]" 1
1009 1 106 ALA H 1 106 ALA HA . . 2.800 2.849 2.841 2.857 0.057 5 0 "[ . 1]" 1
1010 1 102 ALA HA 1 106 ALA H . . 4.200 3.901 3.784 4.044 . 0 0 "[ . 1]" 1
1011 1 103 VAL HA 1 106 ALA H . . 3.500 3.444 3.285 3.536 0.036 6 0 "[ . 1]" 1
1012 1 104 LYS HA 1 106 ALA H . . 4.400 4.454 4.421 4.484 0.084 1 0 "[ . 1]" 1
1013 1 106 ALA H 1 108 THR H . . 4.200 4.189 4.105 4.220 0.020 6 0 "[ . 1]" 1
1014 1 106 ALA HA 1 107 ALA H . . 3.600 3.599 3.574 3.610 0.010 8 0 "[ . 1]" 1
1015 1 106 ALA H 1 107 ALA H . . 2.800 2.742 2.689 2.785 . 0 0 "[ . 1]" 1
1016 1 106 ALA MB 1 107 ALA H . . 5.800 2.609 2.536 2.679 . 0 0 "[ . 1]" 1
1017 1 107 ALA H 1 107 ALA HA . . 2.800 2.836 2.823 2.859 0.059 1 0 "[ . 1]" 1
1018 1 103 VAL HA 1 107 ALA H . . 4.200 4.066 3.932 4.176 . 0 0 "[ . 1]" 1
1019 1 104 LYS HA 1 107 ALA H . . 3.500 3.462 3.357 3.522 0.022 8 0 "[ . 1]" 1
1020 1 105 ARG HA 1 107 ALA H . . 4.400 4.445 4.427 4.467 0.067 9 0 "[ . 1]" 1
1021 1 107 ALA H 1 109 SER H . . 4.200 4.204 4.120 4.226 0.026 3 0 "[ . 1]" 1
1022 1 107 ALA H 1 111 TRP HE3 . . 5.200 5.208 5.108 5.283 0.083 10 0 "[ . 1]" 1
1023 1 107 ALA H 1 111 TRP HZ3 . . 5.200 4.954 4.808 5.176 . 0 0 "[ . 1]" 1
1024 1 107 ALA HA 1 108 THR H . . 3.600 3.585 3.546 3.598 . 0 0 "[ . 1]" 1
1025 1 107 ALA H 1 108 THR H . . 2.800 2.764 2.649 2.806 0.006 5 0 "[ . 1]" 1
1026 1 107 ALA MB 1 108 THR H . . 5.800 2.638 2.598 2.682 . 0 0 "[ . 1]" 1
1027 1 108 THR H 1 108 THR HA . . 2.800 2.862 2.846 2.893 0.093 10 0 "[ . 1]" 1
1028 1 108 THR H 1 108 THR HB . . 3.000 2.569 2.443 2.658 . 0 0 "[ . 1]" 1
1029 1 104 LYS HA 1 108 THR H . . 4.200 4.163 4.019 4.228 0.028 3 0 "[ . 1]" 1
1030 1 105 ARG HA 1 108 THR H . . 3.500 3.332 3.259 3.397 . 0 0 "[ . 1]" 1
1031 1 106 ALA HA 1 108 THR H . . 4.400 4.450 4.430 4.492 0.092 5 0 "[ . 1]" 1
1032 1 108 THR H 1 110 THR H . . 4.200 4.187 4.087 4.224 0.024 7 0 "[ . 1]" 1
1033 1 108 THR HA 1 109 SER H . . 3.600 3.572 3.514 3.596 . 0 0 "[ . 1]" 1
1034 1 108 THR H 1 109 SER H . . 2.800 2.717 2.549 2.802 0.002 8 0 "[ . 1]" 1
1035 1 108 THR HB 1 109 SER H . . 4.000 2.995 2.669 4.015 0.015 10 0 "[ . 1]" 1
1036 1 108 THR MG 1 109 SER H . . 5.800 3.440 2.511 3.772 . 0 0 "[ . 1]" 1
1037 1 109 SER H 1 109 SER HA . . 2.800 2.859 2.852 2.869 0.069 10 0 "[ . 1]" 1
1038 1 105 ARG HA 1 109 SER H . . 4.400 4.079 3.920 4.218 . 0 0 "[ . 1]" 1
1039 1 106 ALA HA 1 109 SER H . . 3.500 3.370 3.252 3.504 0.004 5 0 "[ . 1]" 1
1040 1 107 ALA HA 1 109 SER H . . 4.400 4.417 4.348 4.455 0.055 1 0 "[ . 1]" 1
1041 1 109 SER H 1 111 TRP H . . 4.400 4.242 4.115 4.328 . 0 0 "[ . 1]" 1
1042 1 109 SER H 1 110 THR HB . . 5.200 5.062 4.942 5.218 0.018 10 0 "[ . 1]" 1
1043 1 109 SER HA 1 110 THR H . . 3.600 3.583 3.555 3.602 0.002 10 0 "[ . 1]" 1
1044 1 109 SER H 1 110 THR H . . 2.800 2.712 2.641 2.757 . 0 0 "[ . 1]" 1
1045 1 109 SER QB 1 110 THR H . . 4.600 2.679 2.608 2.726 . 0 0 "[ . 1]" 1
1046 1 110 THR H 1 110 THR HA . . 2.800 2.867 2.850 2.891 0.091 10 0 "[ . 1]" 1
1047 1 110 THR H 1 110 THR HB . . 3.000 2.596 2.553 2.679 . 0 0 "[ . 1]" 1
1048 1 106 ALA HA 1 110 THR H . . 4.400 4.115 4.034 4.163 . 0 0 "[ . 1]" 1
1049 1 107 ALA HA 1 110 THR H . . 3.500 3.353 3.292 3.511 0.011 10 0 "[ . 1]" 1
1050 1 108 THR HA 1 110 THR H . . 4.400 4.425 4.410 4.448 0.048 9 0 "[ . 1]" 1
1051 1 110 THR HA 1 111 TRP H . . 3.600 3.570 3.506 3.589 . 0 0 "[ . 1]" 1
1052 1 110 THR H 1 111 TRP H . . 2.800 2.662 2.560 2.729 . 0 0 "[ . 1]" 1
1053 1 110 THR HB 1 111 TRP H . . 4.000 2.867 2.643 4.096 0.096 10 0 "[ . 1]" 1
1054 1 111 TRP H 1 111 TRP HA . . 2.800 2.936 2.931 2.944 0.144 10 0 "[ . 1]" 1
1055 1 111 TRP H 1 111 TRP HB3 . . 4.000 3.784 3.726 3.829 . 0 0 "[ . 1]" 1
1056 1 111 TRP H 1 111 TRP HB2 . . 3.600 2.706 2.606 2.778 . 0 0 "[ . 1]" 1
1057 1 111 TRP H 1 111 TRP HE3 . . 4.000 3.525 3.424 3.756 . 0 0 "[ . 1]" 1
1058 1 107 ALA HA 1 111 TRP H . . 4.200 3.923 3.815 4.012 . 0 0 "[ . 1]" 1
1059 1 108 THR HA 1 111 TRP H . . 3.500 3.480 3.349 3.528 0.028 1 0 "[ . 1]" 1
1060 1 109 SER HA 1 111 TRP H . . 4.600 4.604 4.571 4.620 0.020 6 0 "[ . 1]" 1
1061 1 111 TRP H 1 112 PRO HD3 . . 4.400 3.084 3.020 3.144 . 0 0 "[ . 1]" 1
1062 1 111 TRP H 1 112 PRO HD2 . . 4.400 3.997 3.938 4.047 . 0 0 "[ . 1]" 1
1063 1 111 TRP HA 1 112 PRO HD3 . . 3.000 3.032 3.022 3.043 0.043 9 0 "[ . 1]" 1
1064 1 111 TRP HA 1 112 PRO HD2 . . 3.000 2.328 2.296 2.385 . 0 0 "[ . 1]" 1
1065 1 112 PRO HA 1 113 ASP H . . 3.600 3.429 3.349 3.480 . 0 0 "[ . 1]" 1
1066 1 112 PRO HD3 1 113 ASP H . . 4.400 4.001 3.867 4.115 . 0 0 "[ . 1]" 1
1067 1 112 PRO HD2 1 113 ASP H . . 3.400 2.859 2.662 3.037 . 0 0 "[ . 1]" 1
1068 1 112 PRO HG2 1 113 ASP H . . 3.400 3.007 2.873 3.163 . 0 0 "[ . 1]" 1
1069 1 112 PRO HB2 1 113 ASP H . . 4.000 3.914 3.819 4.017 0.017 7 0 "[ . 1]" 1
1070 1 113 ASP H 1 113 ASP HA . . 2.800 2.922 2.900 2.936 0.136 8 0 "[ . 1]" 1
1071 1 113 ASP H 1 113 ASP HB3 . . 3.600 2.900 2.469 3.625 0.025 4 0 "[ . 1]" 1
1072 1 113 ASP H 1 113 ASP HB2 . . 3.600 2.634 2.351 3.003 . 0 0 "[ . 1]" 1
1073 1 111 TRP HA 1 113 ASP H . . 4.000 3.335 3.159 3.469 . 0 0 "[ . 1]" 1
1074 1 111 TRP HB3 1 113 ASP H . . 5.000 4.108 3.855 4.244 . 0 0 "[ . 1]" 1
1075 1 111 TRP HB2 1 113 ASP H . . 5.000 4.998 4.823 5.056 0.056 10 0 "[ . 1]" 1
1076 1 113 ASP HA 1 114 MET H . . 3.400 3.219 3.038 3.343 . 0 0 "[ . 1]" 1
1077 1 113 ASP H 1 114 MET H . . 2.200 2.481 2.316 2.642 0.442 5 0 "[ . 1]" 1
1078 1 113 ASP HB3 1 114 MET H . . 4.600 3.988 3.532 4.401 . 0 0 "[ . 1]" 1
1079 1 113 ASP HB2 1 114 MET H . . 4.600 4.249 3.629 4.578 . 0 0 "[ . 1]" 1
1080 1 114 MET H 1 114 MET HA . . 2.800 2.936 2.923 2.946 0.146 3 0 "[ . 1]" 1
1081 1 114 MET H 1 114 MET QG . . 4.600 3.313 2.740 4.116 . 0 0 "[ . 1]" 1
1082 1 111 TRP HA 1 114 MET H . . 5.000 4.357 4.203 4.484 . 0 0 "[ . 1]" 1
1083 1 111 TRP HB3 1 114 MET H . . 4.000 3.608 3.379 3.779 . 0 0 "[ . 1]" 1
1084 1 111 TRP HB2 1 114 MET H . . 4.400 4.437 4.402 4.470 0.070 7 0 "[ . 1]" 1
1085 1 112 PRO HA 1 114 MET H . . 4.000 3.929 3.702 4.057 0.057 7 0 "[ . 1]" 1
1086 1 114 MET HA 1 115 LYS H . . 2.600 2.397 2.299 2.477 . 0 0 "[ . 1]" 1
1087 1 114 MET H 1 115 LYS H . . 4.600 4.470 4.410 4.546 . 0 0 "[ . 1]" 1
1088 1 114 MET HB3 1 115 LYS H . . 4.400 2.644 2.414 3.980 . 0 0 "[ . 1]" 1
1089 1 114 MET HB2 1 115 LYS H . . 4.400 3.735 3.553 4.088 . 0 0 "[ . 1]" 1
1090 1 114 MET QG 1 115 LYS H . . 6.000 3.683 2.356 4.072 . 0 0 "[ . 1]" 1
1091 1 115 LYS H 1 115 LYS HA . . 3.000 2.940 2.889 2.959 . 0 0 "[ . 1]" 1
1092 1 87 THR HA 1 115 LYS H . . 3.000 2.862 2.738 3.001 0.001 7 0 "[ . 1]" 1
1093 1 88 VAL MG2 1 115 LYS H . . 6.800 4.588 4.364 4.730 . 0 0 "[ . 1]" 1
1094 1 115 LYS HA 1 116 ILE H . . 2.400 2.252 2.200 2.302 . 0 0 "[ . 1]" 1
1095 1 115 LYS H 1 116 ILE H . . 4.800 4.650 4.624 4.671 . 0 0 "[ . 1]" 1
1096 1 115 LYS QB 1 116 ILE H . . 4.600 3.024 2.672 3.605 . 0 0 "[ . 1]" 1
1097 1 116 ILE H 1 116 ILE HA . . 3.000 2.980 2.964 2.994 . 0 0 "[ . 1]" 1
1098 1 116 ILE H 1 116 ILE HB . . 4.400 3.242 2.687 3.942 . 0 0 "[ . 1]" 1
1099 1 87 THR HA 1 116 ILE H . . 5.000 5.019 4.960 5.060 0.060 7 0 "[ . 1]" 1
1100 1 116 ILE HA 1 117 VAL H . . 2.400 2.140 2.083 2.182 . 0 0 "[ . 1]" 1
1101 1 116 ILE H 1 117 VAL H . . 4.800 4.294 3.722 4.429 . 0 0 "[ . 1]" 1
1102 1 116 ILE HB 1 117 VAL H . . 4.400 3.890 3.006 4.253 . 0 0 "[ . 1]" 1
1103 1 116 ILE HG13 1 117 VAL H . . 5.000 4.130 2.520 4.899 . 0 0 "[ . 1]" 1
1104 1 116 ILE HG12 1 117 VAL H . . 5.200 4.390 2.826 5.247 0.047 1 0 "[ . 1]" 1
1105 1 117 VAL H 1 117 VAL HA . . 3.000 2.999 2.955 3.008 0.008 4 0 "[ . 1]" 1
1106 1 117 VAL H 1 117 VAL HB . . 3.400 2.712 2.574 2.797 . 0 0 "[ . 1]" 1
1107 1 89 THR HA 1 117 VAL H . . 3.000 2.714 2.584 2.855 . 0 0 "[ . 1]" 1
1108 1 88 VAL HA 1 117 VAL H . . 5.000 5.063 5.029 5.092 0.092 4 0 "[ . 1]" 1
1109 1 88 VAL HB 1 117 VAL H . . 4.800 4.587 3.959 4.800 0.000 5 0 "[ . 1]" 1
1110 1 117 VAL HA 1 118 ASN H . . 2.800 2.181 2.136 2.289 . 0 0 "[ . 1]" 1
1111 1 117 VAL H 1 118 ASN H . . 4.800 3.907 3.621 4.300 . 0 0 "[ . 1]" 1
1112 1 117 VAL HB 1 118 ASN H . . 4.400 4.434 4.288 4.472 0.072 5 0 "[ . 1]" 1
1113 1 117 VAL MG1 1 118 ASN H . . 5.400 3.446 2.887 3.711 . 0 0 "[ . 1]" 1
1114 1 117 VAL MG2 1 118 ASN H . . 6.400 4.278 4.157 4.380 . 0 0 "[ . 1]" 1
1115 1 118 ASN H 1 118 ASN HA . . 3.000 2.918 2.881 2.950 . 0 0 "[ . 1]" 1
1116 1 118 ASN H 1 118 ASN HB3 . . 3.400 2.720 2.429 3.501 0.101 6 0 "[ . 1]" 1
1117 1 118 ASN H 1 118 ASN HB2 . . 3.400 2.930 2.297 3.557 0.157 4 0 "[ . 1]" 1
1118 1 89 THR HA 1 118 ASN H . . 5.200 5.112 4.938 5.233 0.033 4 0 "[ . 1]" 1
1119 1 118 ASN HA 1 119 ASN H . . 2.400 2.271 2.091 2.409 0.009 3 0 "[ . 1]" 1
1120 1 118 ASN H 1 119 ASN H . . 4.800 4.093 3.724 4.521 . 0 0 "[ . 1]" 1
1121 1 118 ASN HB3 1 119 ASN H . . 4.800 4.399 4.152 4.596 . 0 0 "[ . 1]" 1
1122 1 118 ASN HB2 1 119 ASN H . . 4.800 4.300 3.331 4.649 . 0 0 "[ . 1]" 1
1123 1 119 ASN H 1 119 ASN HA . . 3.000 2.933 2.875 2.985 . 0 0 "[ . 1]" 1
1124 1 119 ASN H 1 119 ASN HB3 . . 3.600 2.562 2.461 2.738 . 0 0 "[ . 1]" 1
1125 1 119 ASN H 1 119 ASN HB2 . . 3.600 2.608 2.333 2.980 . 0 0 "[ . 1]" 1
1126 1 91 THR HA 1 119 ASN H . . 4.800 3.775 3.234 4.199 . 0 0 "[ . 1]" 1
1127 1 90 LEU HA 1 119 ASN H . . 5.000 4.953 4.889 5.030 0.030 4 0 "[ . 1]" 1
1128 1 119 ASN HA 1 120 ILE H . . 3.400 3.328 3.233 3.426 0.026 9 0 "[ . 1]" 1
1129 1 119 ASN H 1 120 ILE H . . 2.800 2.428 1.958 2.787 . 0 0 "[ . 1]" 1
1130 1 119 ASN HB3 1 120 ILE H . . 4.800 3.533 3.294 3.723 . 0 0 "[ . 1]" 1
1131 1 119 ASN HB2 1 120 ILE H . . 4.800 4.314 4.220 4.397 . 0 0 "[ . 1]" 1
1132 1 120 ILE H 1 120 ILE HA . . 2.800 2.811 2.756 2.846 0.046 2 0 "[ . 1]" 1
1133 1 120 ILE H 1 120 ILE HB . . 3.400 2.777 2.439 3.522 0.122 9 0 "[ . 1]" 1
1134 1 120 ILE H 1 120 ILE HG13 . . 3.600 2.509 1.800 3.615 0.015 9 0 "[ . 1]" 1
1135 1 120 ILE H 1 120 ILE HG12 . . 3.600 2.745 1.836 3.461 . 0 0 "[ . 1]" 1
1136 1 118 ASN HA 1 120 ILE H . . 3.600 3.304 3.088 3.532 . 0 0 "[ . 1]" 1
1137 1 118 ASN HB3 1 120 ILE H . . 5.200 4.713 3.933 5.075 . 0 0 "[ . 1]" 1
1138 1 118 ASN HB2 1 120 ILE H . . 5.200 4.499 3.502 5.225 0.025 9 0 "[ . 1]" 1
1139 1 120 ILE HA 1 121 GLU H . . 2.400 2.238 2.123 2.306 . 0 0 "[ . 1]" 1
1140 1 120 ILE H 1 121 GLU H . . 4.800 4.667 4.607 4.709 . 0 0 "[ . 1]" 1
1141 1 120 ILE HB 1 121 GLU H . . 4.800 3.790 2.687 4.152 . 0 0 "[ . 1]" 1
1142 1 121 GLU H 1 121 GLU HA . . 3.000 2.973 2.949 2.996 . 0 0 "[ . 1]" 1
1143 1 121 GLU H 1 121 GLU HB3 . . 3.600 3.614 3.332 3.723 0.123 4 0 "[ . 1]" 1
1144 1 121 GLU H 1 121 GLU HB2 . . 3.600 2.912 2.438 3.725 0.125 6 0 "[ . 1]" 1
1145 1 93 THR HA 1 121 GLU H . . 3.400 3.293 2.996 3.452 0.052 1 0 "[ . 1]" 1
1146 1 121 GLU HA 1 122 VAL H . . 2.600 2.483 2.351 2.617 0.017 10 0 "[ . 1]" 1
1147 1 121 GLU H 1 122 VAL H . . 4.800 4.392 4.338 4.439 . 0 0 "[ . 1]" 1
1148 1 121 GLU HB3 1 122 VAL H . . 3.400 2.556 2.093 3.492 0.092 1 0 "[ . 1]" 1
1149 1 121 GLU HB2 1 122 VAL H . . 3.400 3.100 2.203 3.491 0.091 9 0 "[ . 1]" 1
1150 1 121 GLU HG3 1 122 VAL H . . 5.000 4.436 3.903 4.860 . 0 0 "[ . 1]" 1
1151 1 121 GLU HG2 1 122 VAL H . . 5.000 4.578 3.975 4.936 . 0 0 "[ . 1]" 1
1152 1 122 VAL H 1 122 VAL HA . . 3.000 2.970 2.934 2.996 . 0 0 "[ . 1]" 1
1153 1 122 VAL H 1 122 VAL HB . . 3.000 2.604 2.554 2.649 . 0 0 "[ . 1]" 1
1154 1 122 VAL HA 1 123 THR H . . 2.400 2.203 2.156 2.240 . 0 0 "[ . 1]" 1
1155 1 122 VAL H 1 123 THR H . . 4.800 4.587 4.547 4.614 . 0 0 "[ . 1]" 1
1156 1 122 VAL HB 1 123 THR H . . 4.000 3.970 3.902 4.031 0.031 1 0 "[ . 1]" 1
1157 1 122 VAL MG1 1 123 THR H . . 5.400 2.410 2.322 2.518 . 0 0 "[ . 1]" 1
1158 1 122 VAL MG2 1 123 THR H . . 6.400 3.992 3.919 4.047 . 0 0 "[ . 1]" 1
1159 1 123 THR H 1 123 THR HA . . 3.000 2.817 2.795 2.856 . 0 0 "[ . 1]" 1
1160 1 123 THR H 1 123 THR HB . . 3.200 2.424 2.376 2.473 . 0 0 "[ . 1]" 1
1161 1 93 THR MG 1 123 THR H . . 5.800 4.607 2.939 4.839 . 0 0 "[ . 1]" 1
1162 1 123 THR HA 1 124 GLY H . . 2.400 2.294 2.167 2.431 0.031 2 0 "[ . 1]" 1
1163 1 123 THR H 1 124 GLY H . . 4.800 4.648 4.614 4.680 . 0 0 "[ . 1]" 1
1164 1 123 THR HB 1 124 GLY H . . 4.400 3.914 3.753 4.222 . 0 0 "[ . 1]" 1
1165 1 124 GLY QA 1 125 GLN H . . 4.600 2.861 2.682 2.985 . 0 0 "[ . 1]" 1
1166 1 124 GLY H 1 125 GLN H . . 2.800 2.182 1.839 2.836 0.036 4 0 "[ . 1]" 1
1167 1 125 GLN H 1 125 GLN HA . . 3.000 2.879 2.270 2.981 . 0 0 "[ . 1]" 1
1168 1 123 THR HA 1 125 GLN H . . 4.400 4.014 3.617 4.406 0.006 3 0 "[ . 1]" 1
1169 1 123 THR MG 1 125 GLN H . . 6.800 3.632 1.902 4.813 . 0 0 "[ . 1]" 1
1170 1 125 GLN HA 1 126 ALA H . . 3.200 2.443 2.139 2.972 . 0 0 "[ . 1]" 1
1171 1 125 GLN H 1 126 ALA H . . 4.200 3.855 2.057 4.281 0.081 5 0 "[ . 1]" 1
1172 1 125 GLN HB3 1 126 ALA H . . 4.400 3.807 2.365 4.417 0.017 4 0 "[ . 1]" 1
1173 1 125 GLN HB2 1 126 ALA H . . 4.400 4.029 2.982 4.416 0.016 4 0 "[ . 1]" 1
1174 1 125 GLN HG3 1 126 ALA H . . 5.000 3.641 2.435 5.051 0.051 7 0 "[ . 1]" 1
1175 1 125 GLN HG2 1 126 ALA H . . 5.000 3.550 1.797 5.002 0.002 9 0 "[ . 1]" 1
1176 1 126 ALA H 1 126 ALA HA . . 2.800 2.620 2.223 2.932 0.132 4 0 "[ . 1]" 1
1177 1 126 ALA HA 1 127 PRO HD3 . . 3.200 2.912 2.397 3.214 0.014 6 0 "[ . 1]" 1
1178 1 126 ALA HA 1 127 PRO HD2 . . 3.200 2.363 2.203 2.439 . 0 0 "[ . 1]" 1
1179 1 127 PRO HA 1 128 PRO HD3 . . 3.600 2.472 2.347 2.565 . 0 0 "[ . 1]" 1
1180 1 127 PRO HA 1 128 PRO HD2 . . 3.600 2.515 2.460 2.597 . 0 0 "[ . 1]" 1
1181 1 128 PRO HA 1 129 GLY H . . 2.600 2.293 2.195 2.449 . 0 0 "[ . 1]" 1
1182 1 128 PRO QD 1 129 GLY H . . 5.800 4.932 4.654 4.990 . 0 0 "[ . 1]" 1
1183 1 128 PRO QB 1 129 GLY H . . 5.800 2.899 2.471 3.826 . 0 0 "[ . 1]" 1
1184 1 131 PRO HA 1 132 ALA H . . 3.000 2.292 2.059 2.438 . 0 0 "[ . 1]" 1
1185 1 131 PRO HB3 1 132 ALA H . . 4.400 3.743 3.436 4.493 0.093 6 0 "[ . 1]" 1
1186 1 131 PRO HB2 1 132 ALA H . . 4.400 3.047 2.438 4.394 . 0 0 "[ . 1]" 1
1187 1 131 PRO HD3 1 132 ALA H . . 5.400 5.360 4.806 5.430 0.030 3 0 "[ . 1]" 1
1188 1 131 PRO HD2 1 132 ALA H . . 5.400 5.336 4.444 5.462 0.062 3 0 "[ . 1]" 1
1189 1 132 ALA H 1 132 ALA HA . . 3.000 2.780 2.288 2.957 . 0 0 "[ . 1]" 1
1190 1 6 SER HA 1 85 ARG HD3 . . 5.400 4.311 3.479 5.253 . 0 0 "[ . 1]" 1
1191 1 6 SER HA 1 85 ARG HD2 . . 5.400 4.807 2.848 5.458 0.058 5 0 "[ . 1]" 1
1192 1 6 SER HA 1 7 LEU HA . . 5.000 4.558 4.498 4.765 . 0 0 "[ . 1]" 1
1193 1 6 SER HA 1 7 LEU QB . . 6.000 4.312 4.129 4.527 . 0 0 "[ . 1]" 1
1194 1 7 LEU HA 1 60 SER HA . . 4.600 4.198 3.839 4.404 . 0 0 "[ . 1]" 1
1195 1 8 SER HA 1 9 LEU HA . . 5.000 4.486 4.432 4.533 . 0 0 "[ . 1]" 1
1196 1 9 LEU HA 1 84 GLU HA . . 3.600 2.520 2.342 2.715 . 0 0 "[ . 1]" 1
1197 1 10 LEU HA 1 23 GLY HA3 . . 2.600 2.372 2.161 2.589 . 0 0 "[ . 1]" 1
1198 1 10 LEU HA 1 23 GLY HA2 . . 3.200 2.571 2.161 2.946 . 0 0 "[ . 1]" 1
1199 1 11 SER HA 1 82 LYS HA . . 2.400 2.301 2.194 2.409 0.009 4 0 "[ . 1]" 1
1200 1 11 SER HA 1 82 LYS QB . . 6.000 3.990 3.804 4.407 . 0 0 "[ . 1]" 1
1201 1 11 SER HA 1 12 ILE HA . . 5.000 4.515 4.497 4.534 . 0 0 "[ . 1]" 1
1202 1 12 ILE HA 1 21 LEU HA . . 3.000 2.570 2.439 2.733 . 0 0 "[ . 1]" 1
1203 1 13 SER HA 1 80 GLY HA2 . . 3.200 2.458 2.330 2.569 . 0 0 "[ . 1]" 1
1204 1 13 SER HA 1 80 GLY HA3 . . 3.000 2.656 2.489 2.848 . 0 0 "[ . 1]" 1
1205 1 14 ARG HA 1 19 VAL HA . . 2.200 2.202 2.174 2.229 0.029 4 0 "[ . 1]" 1
1206 1 14 ARG HA 1 19 VAL MG2 . . 6.000 2.387 2.293 2.469 . 0 0 "[ . 1]" 1
1207 1 14 ARG QB 1 19 VAL HA . . 6.000 3.927 3.760 4.119 . 0 0 "[ . 1]" 1
1208 1 15 SER HA 1 78 ASP HA . . 5.000 3.933 3.752 4.110 . 0 0 "[ . 1]" 1
1209 1 15 SER HA 1 78 ASP HB3 . . 6.000 5.953 5.621 6.047 0.047 7 0 "[ . 1]" 1
1210 1 17 ASN HA 1 46 VAL HA . . 3.000 3.002 2.983 3.034 0.034 10 0 "[ . 1]" 1
1211 1 17 ASN HB2 1 46 VAL HA . . 4.000 4.022 4.010 4.030 0.030 7 0 "[ . 1]" 1
1212 1 17 ASN HB3 1 46 VAL HA . . 4.000 2.504 2.440 2.537 . 0 0 "[ . 1]" 1
1213 1 17 ASN HA 1 46 VAL MG1 . . 5.800 2.675 2.534 2.929 . 0 0 "[ . 1]" 1
1214 1 17 ASN HA 1 46 VAL MG2 . . 5.400 2.240 2.191 2.293 . 0 0 "[ . 1]" 1
1215 1 18 THR HA 1 47 ASN HA . . 5.200 4.372 4.309 4.472 . 0 0 "[ . 1]" 1
1216 1 18 THR HA 1 48 VAL HA . . 5.200 4.446 4.319 4.553 . 0 0 "[ . 1]" 1
1217 1 18 THR HA 1 46 VAL HA . . 5.400 4.126 4.028 4.337 . 0 0 "[ . 1]" 1
1218 1 18 THR HA 1 46 VAL MG1 . . 5.400 3.258 3.076 3.416 . 0 0 "[ . 1]" 1
1219 1 18 THR HA 1 47 ASN HB2 . . 3.600 3.651 3.646 3.655 0.055 7 0 "[ . 1]" 1
1220 1 18 THR HA 1 47 ASN HB3 . . 3.400 2.213 2.184 2.250 . 0 0 "[ . 1]" 1
1221 1 20 THR HA 1 49 ILE HA . . 5.000 4.638 4.572 4.685 . 0 0 "[ . 1]" 1
1222 1 20 THR HA 1 49 ILE HB . . 2.800 2.399 2.316 2.524 . 0 0 "[ . 1]" 1
1223 1 20 THR HA 1 49 ILE MG . . 6.400 3.444 3.392 3.555 . 0 0 "[ . 1]" 1
1224 1 21 LEU HA 1 50 ASP HA . . 5.000 4.917 4.725 5.041 0.041 2 0 "[ . 1]" 1
1225 1 24 ASP HA 1 53 HIS HA . . 5.200 4.466 4.324 4.724 . 0 0 "[ . 1]" 1
1226 1 24 ASP HA 1 53 HIS HB3 . . 4.800 2.825 2.526 3.279 . 0 0 "[ . 1]" 1
1227 1 24 ASP HA 1 53 HIS HB2 . . 4.800 4.185 4.021 4.768 . 0 0 "[ . 1]" 1
1228 1 24 ASP HA 1 52 ILE MG . . 6.800 2.782 2.503 3.133 . 0 0 "[ . 1]" 1
1229 1 26 PRO HA 1 27 ASP HA . . 5.200 4.654 4.615 4.685 . 0 0 "[ . 1]" 1
1230 1 26 PRO HA 1 58 VAL MG2 . . 5.800 3.506 3.304 3.766 . 0 0 "[ . 1]" 1
1231 1 25 PHE HA 1 58 VAL MG2 . . 5.800 3.087 2.330 4.202 . 0 0 "[ . 1]" 1
1232 1 27 ASP HA 1 28 GLU HA . . 5.000 4.351 4.308 4.386 . 0 0 "[ . 1]" 1
1233 1 27 ASP HA 1 28 GLU HB3 . . 5.400 4.902 4.802 5.025 . 0 0 "[ . 1]" 1
1234 1 27 ASP HA 1 28 GLU HB2 . . 5.400 4.233 4.103 4.303 . 0 0 "[ . 1]" 1
1235 1 27 ASP HA 1 54 VAL MG2 . . 5.400 3.222 2.771 3.582 . 0 0 "[ . 1]" 1
1236 1 28 GLU HA 1 31 LYS HA . . 5.600 5.418 5.195 5.663 0.063 5 0 "[ . 1]" 1
1237 1 28 GLU HA 1 54 VAL MG2 . . 6.800 3.303 2.740 3.837 . 0 0 "[ . 1]" 1
1238 1 31 LYS HA 1 34 LEU MD1 . . 6.800 5.173 4.916 5.416 . 0 0 "[ . 1]" 1
1239 1 31 LYS HA 1 34 LEU MD2 . . 6.800 3.129 2.721 3.413 . 0 0 "[ . 1]" 1
1240 1 32 ALA HA 1 35 MET HB3 . . 4.800 4.116 3.962 4.310 . 0 0 "[ . 1]" 1
1241 1 32 ALA HA 1 35 MET HB2 . . 4.800 3.884 2.362 4.846 0.046 2 0 "[ . 1]" 1
1242 1 33 ALA HA 1 36 THR MG . . 6.400 3.934 3.770 4.061 . 0 0 "[ . 1]" 1
1243 1 36 THR HA 1 39 ASN HB3 . . 4.600 2.291 2.191 2.385 . 0 0 "[ . 1]" 1
1244 1 36 THR HA 1 39 ASN HB2 . . 4.600 3.148 2.916 3.327 . 0 0 "[ . 1]" 1
1245 1 37 ALA HA 1 67 GLU HA . . 2.800 2.776 2.745 2.813 0.013 4 0 "[ . 1]" 1
1246 1 37 ALA HA 1 67 GLU HB3 . . 4.400 3.817 2.532 4.283 . 0 0 "[ . 1]" 1
1247 1 37 ALA HA 1 67 GLU HB2 . . 4.000 2.782 2.352 4.048 0.048 9 0 "[ . 1]" 1
1248 1 37 ALA MB 1 66 ALA MB . . 5.800 2.768 2.601 3.029 . 0 0 "[ . 1]" 1
1249 1 37 ALA MB 1 63 PHE HB2 . . 5.800 3.584 3.213 3.953 . 0 0 "[ . 1]" 1
1250 1 37 ALA MB 1 63 PHE HB3 . . 5.800 2.783 2.427 3.133 . 0 0 "[ . 1]" 1
1251 1 38 LEU HA 1 70 PHE HA . . 6.000 5.259 5.149 5.459 . 0 0 "[ . 1]" 1
1252 1 38 LEU HA 1 70 PHE HB3 . . 2.800 2.834 2.764 3.017 0.217 3 0 "[ . 1]" 1
1253 1 38 LEU HA 1 70 PHE HB2 . . 2.800 2.983 2.809 3.288 0.488 3 0 "[ . 1]" 1
1254 1 43 ALA MB 1 46 VAL MG2 . . 6.000 2.124 2.064 2.191 . 0 0 "[ . 1]" 1
1255 1 21 LEU HB3 1 50 ASP HA . . 4.400 3.634 3.018 3.888 . 0 0 "[ . 1]" 1
1256 1 21 LEU HB2 1 50 ASP HA . . 4.400 2.388 2.185 2.627 . 0 0 "[ . 1]" 1
1257 1 7 LEU QB 1 60 SER HA . . 6.000 2.415 2.222 2.721 . 0 0 "[ . 1]" 1
1258 1 7 LEU HG 1 60 SER HA . . 5.000 3.498 2.474 5.037 0.037 4 0 "[ . 1]" 1
1259 1 7 LEU MD1 1 61 LEU HA . . 6.800 4.849 3.579 5.688 . 0 0 "[ . 1]" 1
1260 1 7 LEU MD2 1 61 LEU HA . . 6.800 4.008 3.134 5.669 . 0 0 "[ . 1]" 1
1261 1 63 PHE HA 1 64 SER HB2 . . 5.800 5.376 5.212 5.479 . 0 0 "[ . 1]" 1
1262 1 37 ALA MB 1 63 PHE HA . . 6.400 4.202 4.010 4.389 . 0 0 "[ . 1]" 1
1263 1 63 PHE HA 1 66 ALA MB . . 4.400 2.142 2.023 2.322 . 0 0 "[ . 1]" 1
1264 1 63 PHE HB2 1 66 ALA MB . . 5.400 3.720 3.592 3.823 . 0 0 "[ . 1]" 1
1265 1 63 PHE HB3 1 66 ALA MB . . 5.400 2.315 2.168 2.470 . 0 0 "[ . 1]" 1
1266 1 65 SER HB2 1 110 THR MG . . 6.000 2.436 2.136 4.339 . 0 0 "[ . 1]" 1
1267 1 65 SER HB3 1 110 THR MG . . 6.000 2.985 2.562 4.310 . 0 0 "[ . 1]" 1
1268 1 66 ALA HA 1 68 PRO QD . . 5.400 3.269 3.050 3.559 . 0 0 "[ . 1]" 1
1269 1 66 ALA HA 1 69 VAL MG2 . . 5.400 2.216 2.140 2.355 . 0 0 "[ . 1]" 1
1270 1 66 ALA HA 1 110 THR MG . . 5.400 2.506 2.280 2.797 . 0 0 "[ . 1]" 1
1271 1 37 ALA MB 1 67 GLU HA . . 5.800 2.250 2.216 2.305 . 0 0 "[ . 1]" 1
1272 1 69 VAL HA 1 106 ALA HA . . 5.800 5.231 4.907 5.771 . 0 0 "[ . 1]" 1
1273 1 69 VAL HA 1 106 ALA MB . . 5.000 2.432 2.262 2.889 . 0 0 "[ . 1]" 1
1274 1 69 VAL HA 1 103 VAL HA . . 5.000 3.598 3.209 4.016 . 0 0 "[ . 1]" 1
1275 1 69 VAL HA 1 103 VAL MG1 . . 6.000 3.686 3.458 4.114 . 0 0 "[ . 1]" 1
1276 1 69 VAL HA 1 72 ALA MB . . 6.000 2.869 2.751 2.950 . 0 0 "[ . 1]" 1
1277 1 70 PHE HA 1 73 SER HB3 . . 4.400 4.073 3.677 4.223 . 0 0 "[ . 1]" 1
1278 1 70 PHE HA 1 73 SER HB2 . . 4.800 3.917 2.325 4.597 . 0 0 "[ . 1]" 1
1279 1 71 THR HA 1 74 VAL HB . . 5.000 3.987 3.873 4.086 . 0 0 "[ . 1]" 1
1280 1 71 THR HA 1 74 VAL MG1 . . 6.000 4.684 4.569 4.853 . 0 0 "[ . 1]" 1
1281 1 73 SER HA 1 76 ILE HB . . 4.400 3.089 2.783 3.621 . 0 0 "[ . 1]" 1
1282 1 14 ARG QB 1 78 ASP HA . . 5.800 3.885 3.374 4.288 . 0 0 "[ . 1]" 1
1283 1 79 PHE HA 1 92 GLY QA . . 4.000 2.106 2.054 2.145 . 0 0 "[ . 1]" 1
1284 1 81 LEU HA 1 90 LEU HA . . 2.000 2.511 2.400 2.586 0.586 4 7 "[ **+** -*]" 1
1285 1 83 VAL HA 1 88 VAL HA . . 2.800 2.538 2.436 2.627 . 0 0 "[ . 1]" 1
1286 1 87 THR HA 1 115 LYS HA . . 5.200 4.495 4.441 4.556 . 0 0 "[ . 1]" 1
1287 1 87 THR HA 1 115 LYS HB3 . . 4.000 3.368 2.339 3.915 . 0 0 "[ . 1]" 1
1288 1 87 THR HA 1 115 LYS HB2 . . 4.000 2.803 2.263 4.005 0.005 2 0 "[ . 1]" 1
1289 1 89 THR HA 1 116 ILE HA . . 5.200 4.442 4.347 4.507 . 0 0 "[ . 1]" 1
1290 1 89 THR HA 1 117 VAL MG1 . . 6.400 3.725 3.659 3.830 . 0 0 "[ . 1]" 1
1291 1 89 THR HA 1 117 VAL MG2 . . 6.400 3.741 3.568 3.945 . 0 0 "[ . 1]" 1
1292 1 89 THR HA 1 117 VAL HB . . 3.000 2.334 2.195 2.538 . 0 0 "[ . 1]" 1
1293 1 90 LEU HA 1 118 ASN HA . . 5.200 5.104 4.852 5.224 0.024 8 0 "[ . 1]" 1
1294 1 91 THR HA 1 119 ASN HA . . 6.200 4.826 4.704 5.072 . 0 0 "[ . 1]" 1
1295 1 91 THR HA 1 119 ASN HB3 . . 4.400 2.745 2.690 2.823 . 0 0 "[ . 1]" 1
1296 1 91 THR HA 1 119 ASN HB2 . . 4.400 4.437 4.414 4.465 0.065 9 0 "[ . 1]" 1
1297 1 76 ILE MG 1 92 GLY QA . . 5.800 2.350 2.207 2.533 . 0 0 "[ . 1]" 1
1298 1 94 ALA MB 1 99 HIS HB2 . . 5.800 2.607 2.511 2.717 . 0 0 "[ . 1]" 1
1299 1 94 ALA MB 1 99 HIS HB3 . . 5.800 2.401 2.351 2.437 . 0 0 "[ . 1]" 1
1300 1 98 GLU HA 1 101 ASP HB3 . . 4.800 2.905 2.693 3.043 . 0 0 "[ . 1]" 1
1301 1 98 GLU HA 1 101 ASP HB2 . . 4.800 3.507 3.387 3.622 . 0 0 "[ . 1]" 1
1302 1 98 GLU HA 1 99 HIS HA . . 5.000 4.796 4.743 4.845 . 0 0 "[ . 1]" 1
1303 1 99 HIS HA 1 102 ALA MB . . 5.400 2.369 2.238 2.506 . 0 0 "[ . 1]" 1
1304 1 101 ASP HA 1 104 LYS HB3 . . 4.800 2.970 2.432 4.365 . 0 0 "[ . 1]" 1
1305 1 101 ASP HA 1 104 LYS HB2 . . 4.800 3.857 3.166 4.898 0.098 6 0 "[ . 1]" 1
1306 1 102 ALA HA 1 105 ARG HB3 . . 4.400 3.250 2.538 4.286 . 0 0 "[ . 1]" 1
1307 1 102 ALA HA 1 105 ARG HB2 . . 4.400 3.144 2.337 3.727 . 0 0 "[ . 1]" 1
1308 1 102 ALA HA 1 105 ARG HD3 . . 4.800 4.189 3.203 4.851 0.051 1 0 "[ . 1]" 1
1309 1 102 ALA HA 1 105 ARG HD2 . . 5.000 4.363 2.748 5.013 0.013 9 0 "[ . 1]" 1
1310 1 72 ALA MB 1 102 ALA MB . . 6.000 2.858 2.496 3.243 . 0 0 "[ . 1]" 1
1311 1 72 ALA MB 1 106 ALA MB . . 6.000 3.145 2.943 3.515 . 0 0 "[ . 1]" 1
1312 1 72 ALA MB 1 103 VAL HA . . 4.800 2.726 2.446 3.093 . 0 0 "[ . 1]" 1
1313 1 72 ALA MB 1 103 VAL MG2 . . 6.000 2.011 1.969 2.058 . 0 0 "[ . 1]" 1
1314 1 69 VAL MG1 1 103 VAL HA . . 6.800 3.434 3.226 3.723 . 0 0 "[ . 1]" 1
1315 1 69 VAL MG1 1 103 VAL MG1 . . 6.800 2.283 2.132 2.522 . 0 0 "[ . 1]" 1
1316 1 69 VAL MG1 1 103 VAL MG2 . . 5.800 3.585 3.302 3.764 . 0 0 "[ . 1]" 1
1317 1 103 VAL HA 1 106 ALA MB . . 5.800 2.620 2.470 2.748 . 0 0 "[ . 1]" 1
1318 1 105 ARG HA 1 108 THR HB . . 4.400 2.940 2.632 3.807 . 0 0 "[ . 1]" 1
1319 1 105 ARG HA 1 108 THR MG . . 6.400 3.716 2.116 4.190 . 0 0 "[ . 1]" 1
1320 1 106 ALA HA 1 109 SER QB . . 5.800 2.645 2.584 2.801 . 0 0 "[ . 1]" 1
1321 1 69 VAL MG2 1 106 ALA HA . . 6.800 3.792 3.703 3.878 . 0 0 "[ . 1]" 1
1322 1 107 ALA HA 1 110 THR HB . . 4.400 2.901 2.671 4.412 0.012 10 0 "[ . 1]" 1
1323 1 107 ALA MB 1 110 THR MG . . 7.200 4.818 3.412 4.997 . 0 0 "[ . 1]" 1
1324 1 69 VAL MG2 1 110 THR MG . . 6.800 3.052 2.191 3.370 . 0 0 "[ . 1]" 1
1325 1 107 ALA MB 1 116 ILE MG . . 6.400 3.039 2.132 4.457 . 0 0 "[ . 1]" 1
1326 1 107 ALA MB 1 116 ILE MD . . 5.400 3.082 2.003 3.757 . 0 0 "[ . 1]" 1
1327 1 69 VAL MG2 1 107 ALA HA . . 5.400 2.569 2.358 2.833 . 0 0 "[ . 1]" 1
1328 1 109 SER HA 1 112 PRO HB3 . . 5.800 3.897 3.691 4.090 . 0 0 "[ . 1]" 1
1329 1 109 SER HA 1 112 PRO HB2 . . 5.800 5.635 5.433 5.802 0.002 1 0 "[ . 1]" 1
1330 1 108 THR HB 1 112 PRO HA . . 5.800 5.670 5.372 5.808 0.008 1 0 "[ . 1]" 1
1331 1 108 THR MG 1 112 PRO HA . . 6.800 3.501 3.086 4.764 . 0 0 "[ . 1]" 1
1332 1 88 VAL MG2 1 114 MET HA . . 6.800 5.374 5.035 5.676 . 0 0 "[ . 1]" 1
1333 1 88 VAL HB 1 116 ILE HA . . 4.400 3.988 2.868 4.451 0.051 2 0 "[ . 1]" 1
1334 1 90 LEU MD1 1 118 ASN HA . . 6.800 3.079 2.553 3.315 . 0 0 "[ . 1]" 1
1335 1 90 LEU MD2 1 118 ASN HA . . 6.800 4.432 3.878 4.688 . 0 0 "[ . 1]" 1
1336 1 119 ASN HA 1 120 ILE HA . . 5.200 4.949 4.881 5.061 . 0 0 "[ . 1]" 1
1337 1 94 ALA MB 1 122 VAL HA . . 6.400 2.787 2.544 3.353 . 0 0 "[ . 1]" 1
1338 1 34 LEU HA 1 63 PHE QD . . 4.400 3.754 3.429 3.980 . 0 0 "[ . 1]" 1
1339 1 34 LEU MD1 1 63 PHE QD . . 4.800 2.869 2.488 3.074 . 0 0 "[ . 1]" 1
1340 1 34 LEU MD1 1 63 PHE HE2 . . 5.000 3.465 3.208 3.699 . 0 0 "[ . 1]" 1
1341 1 34 LEU MD1 1 63 PHE HB2 . . 5.400 3.405 3.051 3.654 . 0 0 "[ . 1]" 1
1342 1 34 LEU MD1 1 63 PHE HB3 . . 5.400 3.113 2.857 3.328 . 0 0 "[ . 1]" 1
1343 1 34 LEU MD1 1 81 LEU MD2 . . 6.800 3.756 3.396 4.178 . 0 0 "[ . 1]" 1
1344 1 63 PHE QD 1 81 LEU MD2 . . 5.400 3.695 3.434 4.049 . 0 0 "[ . 1]" 1
1345 1 63 PHE HE2 1 81 LEU MD2 . . 5.400 3.105 2.085 5.443 0.043 2 0 "[ . 1]" 1
1346 1 63 PHE QD 1 66 ALA HA . . 5.400 4.834 4.775 4.853 . 0 0 "[ . 1]" 1
1347 1 63 PHE QD 1 66 ALA MB . . 5.000 2.196 2.092 2.316 . 0 0 "[ . 1]" 1
1348 1 37 ALA MB 1 63 PHE QD . . 6.000 3.941 3.598 4.391 . 0 0 "[ . 1]" 1
1349 1 61 LEU MD1 1 63 PHE HE1 . . 5.400 3.471 2.597 4.177 . 0 0 "[ . 1]" 1
1350 1 61 LEU MD1 1 63 PHE QD . . 6.400 3.984 3.039 4.783 . 0 0 "[ . 1]" 1
1351 1 63 PHE HB3 1 70 PHE HE2 . . 4.400 2.816 2.725 2.982 . 0 0 "[ . 1]" 1
1352 1 63 PHE HB2 1 70 PHE HE2 . . 4.800 4.339 4.306 4.377 . 0 0 "[ . 1]" 1
1353 1 37 ALA MB 1 70 PHE HE2 . . 5.400 2.429 2.312 2.556 . 0 0 "[ . 1]" 1
1354 1 37 ALA MB 1 70 PHE HD2 . . 5.000 2.176 2.124 2.249 . 0 0 "[ . 1]" 1
1355 1 38 LEU MD2 1 70 PHE HD2 . . 5.800 4.885 3.930 5.300 . 0 0 "[ . 1]" 1
1356 1 38 LEU MD2 1 70 PHE HE2 . . 6.000 4.609 4.360 4.973 . 0 0 "[ . 1]" 1
1357 1 25 PHE HD1 1 60 SER HB2 . . 4.000 2.548 2.263 3.334 . 0 0 "[ . 1]" 1
1358 1 25 PHE HD1 1 60 SER HB3 . . 4.000 3.148 2.145 3.609 . 0 0 "[ . 1]" 1
1359 1 25 PHE HE1 1 60 SER HB2 . . 5.000 2.569 2.172 3.263 . 0 0 "[ . 1]" 1
1360 1 25 PHE HE1 1 60 SER HB3 . . 5.000 2.561 2.219 3.068 . 0 0 "[ . 1]" 1
1361 1 67 GLU HA 1 70 PHE HD2 . . 3.400 2.704 2.548 2.921 . 0 0 "[ . 1]" 1
1362 1 70 PHE HD1 1 79 PHE HE2 . . 4.400 2.450 2.402 2.508 . 0 0 "[ . 1]" 1
1363 1 70 PHE HD1 1 79 PHE HD2 . . 4.400 3.538 3.512 3.557 . 0 0 "[ . 1]" 1
1364 1 79 PHE HE1 1 90 LEU HA . . 4.400 4.003 3.975 4.022 . 0 0 "[ . 1]" 1
1365 1 79 PHE HE1 1 90 LEU MD2 . . 5.400 3.229 3.037 3.381 . 0 0 "[ . 1]" 1
1366 1 79 PHE HD1 1 92 GLY QA . . 4.400 2.516 2.253 2.650 . 0 0 "[ . 1]" 1
1367 1 73 SER HB3 1 79 PHE HE1 . . 4.000 4.094 3.659 4.660 0.660 7 3 "[ - . + *]" 1
1368 1 73 SER HB2 1 79 PHE HE1 . . 4.400 4.619 4.183 5.273 0.873 7 3 "[ * . + -]" 1
1369 1 73 SER HB3 1 79 PHE HZ . . 4.400 4.177 3.914 4.463 0.063 7 0 "[ . 1]" 1
1370 1 107 ALA HA 1 111 TRP HE3 . . 4.000 2.687 2.494 2.798 . 0 0 "[ . 1]" 1
1371 1 107 ALA MB 1 111 TRP HE3 . . 5.000 2.463 2.400 2.510 . 0 0 "[ . 1]" 1
1372 1 107 ALA HA 1 111 TRP HZ3 . . 4.400 2.837 2.593 3.125 . 0 0 "[ . 1]" 1
1373 1 107 ALA MB 1 111 TRP HZ3 . . 5.800 2.646 2.481 2.900 . 0 0 "[ . 1]" 1
1374 1 61 LEU MD1 1 111 TRP HE1 . . 5.800 3.026 2.078 4.393 . 0 0 "[ . 1]" 1
1375 1 61 LEU MD2 1 111 TRP HE1 . . 5.400 3.198 2.196 4.519 . 0 0 "[ . 1]" 1
1376 1 110 THR MG 1 111 TRP HE1 . . 5.000 3.030 2.762 3.730 . 0 0 "[ . 1]" 1
1377 1 110 THR MG 1 111 TRP HD1 . . 5.000 3.577 3.234 4.064 . 0 0 "[ . 1]" 1
1378 1 110 THR MG 1 111 TRP HE3 . . 5.400 3.855 2.701 4.172 . 0 0 "[ . 1]" 1
1379 1 110 THR MG 1 111 TRP HH2 . . 5.000 3.594 3.180 4.039 . 0 0 "[ . 1]" 1
1380 1 110 THR MG 1 111 TRP HZ3 . . 5.400 4.034 3.358 4.500 . 0 0 "[ . 1]" 1
1381 1 88 VAL MG1 1 111 TRP HE1 . . 5.800 4.564 3.939 4.851 . 0 0 "[ . 1]" 1
1382 1 61 LEU MD2 1 88 VAL MG2 . . 6.400 3.575 2.071 4.446 . 0 0 "[ . 1]" 1
1383 1 63 PHE HA 1 111 TRP HH2 . . 4.800 4.829 4.807 4.860 0.060 7 0 "[ . 1]" 1
1384 1 63 PHE HB3 1 111 TRP HH2 . . 5.400 5.326 5.124 5.413 0.013 1 0 "[ . 1]" 1
1385 1 63 PHE QD 1 111 TRP HH2 . . 4.000 3.233 2.987 3.569 . 0 0 "[ . 1]" 1
1386 1 63 PHE QD 1 111 TRP HZ2 . . 4.400 2.842 2.503 3.306 . 0 0 "[ . 1]" 1
1387 1 66 ALA MB 1 111 TRP HH2 . . 5.400 2.504 2.344 2.623 . 0 0 "[ . 1]" 1
1388 1 69 VAL MG1 1 111 TRP HZ3 . . 6.000 2.821 2.633 3.061 . 0 0 "[ . 1]" 1
1389 1 69 VAL MG2 1 111 TRP HZ3 . . 6.000 2.804 2.452 3.160 . 0 0 "[ . 1]" 1
1390 1 96 SER HB2 1 99 HIS HD2 . . 5.000 4.210 3.134 4.999 . 0 0 "[ . 1]" 1
1391 1 96 SER HB3 1 99 HIS HD2 . . 5.000 3.563 2.939 4.916 . 0 0 "[ . 1]" 1
1392 1 96 SER HA 1 99 HIS HD2 . . 5.800 5.788 5.638 5.820 0.020 4 0 "[ . 1]" 1
1393 1 96 SER HA 1 122 VAL MG1 . . 5.800 2.736 2.312 3.789 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 92
_Distance_constraint_stats_list.Viol_total 444.508
_Distance_constraint_stats_list.Viol_max 0.796
_Distance_constraint_stats_list.Viol_rms 0.2750
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3175
_Distance_constraint_stats_list.Viol_average_violations_only 0.4832
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 6 SER 1.152 0.509 7 1 "[ . + 1]"
1 8 SER 16.450 0.796 1 10 [+*****-***]
1 9 LEU 5.858 0.638 5 10 [****+**-**]
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 25 PHE 15.897 0.796 1 10 [+*****-***]
1 26 PRO 4.334 0.559 8 2 "[ -. + 1]"
1 43 ALA 5.595 0.568 3 10 [**+***-***]
1 45 GLY 5.595 0.568 3 10 [**+***-***]
1 58 VAL 6.411 0.700 8 10 [-******+**]
1 59 ARG 4.334 0.559 8 2 "[ -. + 1]"
1 60 SER 0.000 0.000 . 0 "[ . 1]"
1 79 PHE 1.067 0.256 6 0 "[ . 1]"
1 85 ARG 1.152 0.509 7 1 "[ . + 1]"
1 92 GLY 1.067 0.256 6 0 "[ . 1]"
1 94 ALA 4.363 0.525 7 3 "[ * - + 1]"
1 97 SER 5.633 0.661 3 10 [**+*****-*]
1 99 HIS 4.363 0.525 7 3 "[ * - + 1]"
1 100 LYS 5.633 0.661 3 10 [**+*****-*]
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 6 SER HA 1 85 ARG HA . . 2.600 2.683 2.497 3.109 0.509 7 1 "[ . + 1]" 2
2 1 8 SER HA 1 25 PHE HA . . 4.400 5.101 4.953 5.196 0.796 1 10 [+**-******] 2
3 1 8 SER H 1 58 VAL HA . . 4.000 4.641 4.592 4.700 0.700 8 10 [-******+**] 2
4 1 9 LEU H 1 24 ASP H . . 4.800 4.669 4.597 4.704 . 0 0 "[ . 1]" 2
5 1 9 LEU H 1 25 PHE HA . . 5.000 5.586 5.513 5.638 0.638 5 10 [****+**-**] 2
6 1 8 SER HB2 1 25 PHE HA . . 4.000 4.123 3.841 4.543 0.543 2 1 "[ + . 1]" 2
7 1 8 SER HB3 1 25 PHE HA . . 4.000 4.072 3.857 4.502 0.502 7 1 "[ . + 1]" 2
8 1 26 PRO HA 1 59 ARG HA . . 4.400 4.833 4.751 4.959 0.559 8 2 "[ -. + 1]" 2
9 1 26 PRO HD3 1 60 SER H . . 3.600 3.515 3.456 3.545 . 0 0 "[ . 1]" 2
10 1 43 ALA H 1 45 GLY H . . 5.000 5.559 5.543 5.568 0.568 3 10 [**+***-***] 2
11 1 79 PHE H 1 92 GLY QA . . 3.600 3.703 3.568 3.856 0.256 6 0 "[ . 1]" 2
12 1 94 ALA HA 1 99 HIS HB2 . . 4.200 4.636 4.517 4.725 0.525 7 3 "[ * - + 1]" 2
13 1 94 ALA HA 1 99 HIS HB3 . . 4.200 4.163 4.133 4.197 . 0 0 "[ . 1]" 2
14 1 97 SER H 1 100 LYS H . . 4.200 4.763 4.719 4.861 0.661 3 10 [**+*****-*] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 28.072
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0306
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0702
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 SER 0.000 0.000 . 0 "[ . 1]"
1 9 LEU 0.321 0.079 4 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 11 SER 0.000 0.000 . 0 "[ . 1]"
1 12 ILE 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 VAL 0.000 0.000 . 0 "[ . 1]"
1 20 THR 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 0.000 0.000 . 0 "[ . 1]"
1 22 ILE 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.321 0.079 4 0 "[ . 1]"
1 25 PHE 0.353 0.070 1 0 "[ . 1]"
1 47 ASN 0.000 0.000 . 0 "[ . 1]"
1 49 ILE 0.000 0.000 . 0 "[ . 1]"
1 51 GLN 0.000 0.000 . 0 "[ . 1]"
1 53 HIS 0.353 0.070 1 0 "[ . 1]"
1 55 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 ARG 0.000 0.000 . 0 "[ . 1]"
1 79 PHE 0.000 0.000 . 0 "[ . 1]"
1 80 GLY 2.047 0.193 6 0 "[ . 1]"
1 81 LEU 0.000 0.000 . 0 "[ . 1]"
1 82 LYS 0.000 0.000 . 0 "[ . 1]"
1 83 VAL 0.000 0.000 . 0 "[ . 1]"
1 84 GLU 0.000 0.000 . 0 "[ . 1]"
1 86 ASP 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 88 VAL 0.000 0.000 . 0 "[ . 1]"
1 89 THR 0.000 0.000 . 0 "[ . 1]"
1 90 LEU 0.085 0.026 8 0 "[ . 1]"
1 91 THR 2.047 0.193 6 0 "[ . 1]"
1 115 LYS 0.000 0.000 . 0 "[ . 1]"
1 117 VAL 0.000 0.000 . 0 "[ . 1]"
1 119 ASN 0.085 0.026 8 0 "[ . 1]"
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 19 VAL H 1 47 ASN O . . 2.400 2.006 1.951 2.068 . 0 0 "[ . 1]" 3
2 1 19 VAL O 1 49 ILE H . . 2.400 1.961 1.916 2.050 . 0 0 "[ . 1]" 3
3 1 21 LEU H 1 49 ILE O . . 2.200 1.927 1.870 1.969 . 0 0 "[ . 1]" 3
4 1 21 LEU O 1 51 GLN H . . 2.400 1.933 1.872 2.001 . 0 0 "[ . 1]" 3
5 1 23 GLY O 1 53 HIS H . . 2.200 1.879 1.842 1.949 . 0 0 "[ . 1]" 3
6 1 25 PHE H 1 53 HIS O . . 2.200 2.235 2.198 2.270 0.070 1 0 "[ . 1]" 3
7 1 80 GLY H 1 91 THR O . . 1.800 1.885 1.858 1.923 0.123 7 0 "[ . 1]" 3
8 1 80 GLY O 1 91 THR H . . 1.800 1.920 1.843 1.993 0.193 6 0 "[ . 1]" 3
9 1 25 PHE O 1 55 ASP H . . 2.200 1.922 1.834 2.000 . 0 0 "[ . 1]" 3
10 1 90 LEU O 1 119 ASN H . . 2.200 2.041 1.780 2.226 0.026 8 0 "[ . 1]" 3
11 1 88 VAL O 1 117 VAL H . . 2.200 1.868 1.834 1.916 . 0 0 "[ . 1]" 3
12 1 88 VAL H 1 115 LYS O . . 2.200 1.926 1.861 2.057 . 0 0 "[ . 1]" 3
13 1 86 ASP O 1 115 LYS H . . 2.400 2.022 1.933 2.117 . 0 0 "[ . 1]" 3
14 1 84 GLU H 1 87 THR O . . 2.400 2.127 2.000 2.289 . 0 0 "[ . 1]" 3
15 1 82 LYS O 1 89 THR H . . 2.200 1.822 1.796 1.853 . 0 0 "[ . 1]" 3
16 1 82 LYS H 1 89 THR O . . 2.200 1.856 1.838 1.885 . 0 0 "[ . 1]" 3
17 1 14 ARG H 1 79 PHE O . . 2.200 1.913 1.830 1.980 . 0 0 "[ . 1]" 3
18 1 12 ILE H 1 81 LEU O . . 2.200 1.861 1.797 1.914 . 0 0 "[ . 1]" 3
19 1 12 ILE O 1 81 LEU H . . 2.200 1.869 1.831 1.916 . 0 0 "[ . 1]" 3
20 1 10 LEU H 1 83 VAL O . . 2.200 1.966 1.890 2.048 . 0 0 "[ . 1]" 3
21 1 10 LEU O 1 83 VAL H . . 2.200 1.899 1.864 1.994 . 0 0 "[ . 1]" 3
22 1 13 SER O 1 20 THR H . . 2.400 1.859 1.828 1.883 . 0 0 "[ . 1]" 3
23 1 13 SER H 1 20 THR O . . 2.400 2.002 1.960 2.057 . 0 0 "[ . 1]" 3
24 1 11 SER H 1 22 ILE O . . 2.600 1.868 1.824 1.940 . 0 0 "[ . 1]" 3
25 1 11 SER O 1 22 ILE H . . 2.600 1.935 1.879 1.987 . 0 0 "[ . 1]" 3
26 1 9 LEU O 1 24 ASP H . . 2.600 2.588 2.373 2.679 0.079 4 0 "[ . 1]" 3
27 1 8 SER H 1 59 ARG O . . 2.200 1.772 1.749 1.818 . 0 0 "[ . 1]" 3
stop_
save_
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