NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571558 |
2mj3   |
19703 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mj3
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 1126
_Distance_constraint_stats_list.Viol_count 630
_Distance_constraint_stats_list.Viol_total 126.798
_Distance_constraint_stats_list.Viol_max 0.237
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0224
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.331 0.049 7 0 "[ . ]"
1 3 LEU 0.636 0.075 7 0 "[ . ]"
1 4 ILE 1.069 0.067 3 0 "[ . ]"
1 5 THR 0.128 0.022 7 0 "[ . ]"
1 6 PHE 0.130 0.033 7 0 "[ . ]"
1 7 ILE 0.208 0.024 7 0 "[ . ]"
1 8 SER 0.030 0.013 5 0 "[ . ]"
1 9 PRO 0.006 0.004 1 0 "[ . ]"
1 10 ASP 0.011 0.007 2 0 "[ . ]"
1 11 GLY 0.056 0.019 7 0 "[ . ]"
1 12 SER 0.050 0.013 5 0 "[ . ]"
1 13 ARG 0.433 0.237 5 0 "[ . ]"
1 14 LYS 0.502 0.237 5 0 "[ . ]"
1 15 THR 0.172 0.034 5 0 "[ . ]"
1 16 TYR 0.990 0.093 7 0 "[ . ]"
1 17 GLU 0.117 0.033 7 0 "[ . ]"
1 18 ALA 0.584 0.075 7 0 "[ . ]"
1 19 TYR 0.079 0.017 3 0 "[ . ]"
1 20 ASP 0.052 0.052 8 0 "[ . ]"
1 21 GLY 0.959 0.156 2 0 "[ . ]"
1 22 GLU 0.556 0.072 3 0 "[ . ]"
1 23 THR 0.288 0.047 1 0 "[ . ]"
1 24 LEU 0.139 0.030 5 0 "[ . ]"
1 25 LEU 0.000 0.000 . 0 "[ . ]"
1 26 SER 0.013 0.009 3 0 "[ . ]"
1 27 LEU 0.208 0.046 2 0 "[ . ]"
1 28 ALA 0.035 0.015 3 0 "[ . ]"
1 29 HIS 0.128 0.127 3 0 "[ . ]"
1 30 ARG 0.136 0.127 3 0 "[ . ]"
1 31 ASN 0.051 0.021 3 0 "[ . ]"
1 32 ASN 0.044 0.021 3 0 "[ . ]"
1 33 VAL 0.043 0.015 3 0 "[ . ]"
1 34 ASP 0.042 0.038 4 0 "[ . ]"
1 35 LEU 0.038 0.038 4 0 "[ . ]"
1 50 VAL 0.097 0.036 1 0 "[ . ]"
1 51 ILE 1.540 0.156 2 0 "[ . ]"
1 52 ILE 1.196 0.097 3 0 "[ . ]"
1 53 ASP 0.321 0.071 7 0 "[ . ]"
1 54 PRO 0.000 0.000 . 0 "[ . ]"
1 55 SER 0.015 0.015 9 0 "[ . ]"
1 56 TRP 0.170 0.046 2 0 "[ . ]"
1 57 TYR 0.239 0.057 2 0 "[ . ]"
1 58 ASP 0.014 0.007 8 0 "[ . ]"
1 59 ILE 0.136 0.031 4 0 "[ . ]"
1 60 VAL 0.236 0.031 4 0 "[ . ]"
1 61 GLU 0.063 0.011 8 0 "[ . ]"
1 62 GLN 0.084 0.009 8 0 "[ . ]"
1 63 HIS 0.010 0.005 5 0 "[ . ]"
1 64 ASN 0.076 0.011 8 0 "[ . ]"
1 65 GLU 0.003 0.002 9 0 "[ . ]"
1 66 ILE 0.021 0.008 9 0 "[ . ]"
1 67 SER 0.002 0.001 3 0 "[ . ]"
1 68 ASP 0.000 0.000 4 0 "[ . ]"
1 69 GLU 0.003 0.002 5 0 "[ . ]"
1 70 GLU 0.002 0.002 5 0 "[ . ]"
1 71 ASN 0.000 0.000 . 0 "[ . ]"
1 72 ASP 0.015 0.008 9 0 "[ . ]"
1 73 MET 0.000 0.000 . 0 "[ . ]"
1 74 LEU 0.198 0.103 7 0 "[ . ]"
1 75 ASP 0.107 0.103 7 0 "[ . ]"
1 76 LEU 0.074 0.012 9 0 "[ . ]"
1 77 ALA 0.166 0.091 7 0 "[ . ]"
1 78 PHE 0.010 0.010 8 0 "[ . ]"
1 79 GLY 0.000 0.000 . 0 "[ . ]"
1 80 LEU 0.214 0.086 5 0 "[ . ]"
1 81 THR 0.499 0.087 3 0 "[ . ]"
1 82 ASP 0.000 0.000 . 0 "[ . ]"
1 83 THR 0.962 0.097 3 0 "[ . ]"
1 84 SER 0.241 0.038 1 0 "[ . ]"
1 85 ARG 0.328 0.052 8 0 "[ . ]"
1 90 ILE 1.618 0.201 2 0 "[ . ]"
1 91 ILE 0.509 0.097 4 0 "[ . ]"
1 92 LEU 2.758 0.201 2 0 "[ . ]"
1 93 THR 1.008 0.079 8 0 "[ . ]"
1 94 LYS 0.827 0.056 1 0 "[ . ]"
1 95 GLU 0.489 0.079 8 0 "[ . ]"
1 96 LEU 0.863 0.074 5 0 "[ . ]"
1 97 ASP 0.231 0.021 2 0 "[ . ]"
1 98 GLY 0.397 0.042 5 0 "[ . ]"
1 99 LEU 0.096 0.022 3 0 "[ . ]"
1 100 CYS 0.100 0.028 7 0 "[ . ]"
1 101 VAL 0.717 0.046 2 0 "[ . ]"
1 102 ILE 0.337 0.071 7 0 "[ . ]"
1 103 LEU 0.038 0.025 7 0 "[ . ]"
1 104 PRO 0.300 0.049 4 0 "[ . ]"
1 105 THR 0.003 0.003 5 0 "[ . ]"
1 106 GLU 0.007 0.004 2 0 "[ . ]"
1 107 THR 0.000 0.000 . 0 "[ . ]"
1 108 ARG 0.108 0.035 9 0 "[ . ]"
1 109 ASN 0.284 0.233 3 0 "[ . ]"
1 110 ILE 0.334 0.233 3 0 "[ . ]"
1 111 SER 0.005 0.005 2 0 "[ . ]"
1 112 PHE 0.000 0.000 . 0 "[ . ]"
1 113 VAL 0.162 0.065 7 0 "[ . ]"
1 114 LYS 0.162 0.065 7 0 "[ . ]"
1 115 ASN 0.022 0.008 8 0 "[ . ]"
1 116 SER 0.005 0.003 8 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 LEU H . . 3.100 2.665 2.650 2.683 . 0 0 "[ . ]" 1
2 1 2 PRO HA 1 97 ASP HB2 . . 4.650 4.509 4.267 4.643 . 0 0 "[ . ]" 1
3 1 2 PRO HB2 1 3 LEU H . . 3.210 2.019 1.983 2.048 . 0 0 "[ . ]" 1
4 1 2 PRO HB2 1 94 LYS HA . . 4.950 4.210 4.005 4.654 . 0 0 "[ . ]" 1
5 1 2 PRO HB2 1 97 ASP HA . . 5.060 2.484 2.271 2.617 . 0 0 "[ . ]" 1
6 1 2 PRO HB2 1 98 GLY H . . 3.920 3.734 3.429 3.879 . 0 0 "[ . ]" 1
7 1 2 PRO HB3 1 97 ASP HA . . 4.350 3.688 3.487 3.916 . 0 0 "[ . ]" 1
8 1 2 PRO HB3 1 98 GLY H . . 5.500 4.926 4.606 5.198 . 0 0 "[ . ]" 1
9 1 2 PRO HG2 1 3 LEU H . . 4.130 3.904 3.868 3.934 . 0 0 "[ . ]" 1
10 1 2 PRO HG2 1 4 ILE MD . . 4.090 3.351 2.985 3.802 . 0 0 "[ . ]" 1
11 1 2 PRO HG2 1 4 ILE HG12 . . 4.850 4.297 3.787 4.570 . 0 0 "[ . ]" 1
12 1 2 PRO HG2 1 94 LYS HA . . 4.870 2.399 2.163 2.920 . 0 0 "[ . ]" 1
13 1 2 PRO HG2 1 94 LYS QD . . 5.330 4.545 4.149 4.928 . 0 0 "[ . ]" 1
14 1 2 PRO HG2 1 97 ASP H . . 4.720 4.647 4.510 4.735 0.015 1 0 "[ . ]" 1
15 1 2 PRO HG2 1 97 ASP HA . . 4.360 3.672 3.491 3.718 . 0 0 "[ . ]" 1
16 1 2 PRO HG2 1 98 GLY H . . 5.500 5.490 5.284 5.542 0.042 5 0 "[ . ]" 1
17 1 2 PRO HG3 1 94 LYS HA . . 4.240 2.724 2.082 4.047 . 0 0 "[ . ]" 1
18 1 2 PRO HG3 1 94 LYS HG3 . . 2.850 2.292 1.977 2.899 0.049 7 0 "[ . ]" 1
19 1 2 PRO HG3 1 97 ASP H . . 4.560 4.225 4.176 4.273 . 0 0 "[ . ]" 1
20 1 3 LEU H 1 3 LEU HB2 . . 3.730 3.302 3.116 3.407 . 0 0 "[ . ]" 1
21 1 3 LEU H 1 3 LEU HB3 . . 3.600 2.511 2.490 2.557 . 0 0 "[ . ]" 1
22 1 3 LEU H 1 3 LEU HG . . 4.620 4.212 4.135 4.354 . 0 0 "[ . ]" 1
23 1 3 LEU H 1 97 ASP HA . . 3.530 3.525 3.396 3.551 0.021 2 0 "[ . ]" 1
24 1 3 LEU H 1 97 ASP HB2 . . 4.490 4.126 3.831 4.346 . 0 0 "[ . ]" 1
25 1 3 LEU H 1 98 GLY H . . 3.750 3.652 3.305 3.757 0.007 8 0 "[ . ]" 1
26 1 3 LEU HA 1 3 LEU MD1 . . 3.780 2.200 2.148 2.321 . 0 0 "[ . ]" 1
27 1 3 LEU HA 1 4 ILE H . . 3.300 2.226 2.176 2.269 . 0 0 "[ . ]" 1
28 1 3 LEU HA 1 17 GLU HA . . 4.280 2.240 1.996 2.729 . 0 0 "[ . ]" 1
29 1 3 LEU HA 1 18 ALA H . . 4.510 2.562 2.410 2.842 . 0 0 "[ . ]" 1
30 1 3 LEU HB2 1 3 LEU MD1 . . 3.150 2.303 2.195 2.335 . 0 0 "[ . ]" 1
31 1 3 LEU HB2 1 4 ILE H . . 4.060 3.862 3.728 4.070 0.010 8 0 "[ . ]" 1
32 1 3 LEU HB2 1 17 GLU H . . 4.900 4.799 4.642 4.908 0.008 4 0 "[ . ]" 1
33 1 3 LEU HB2 1 17 GLU HB2 . . 5.280 5.165 5.034 5.284 0.004 5 0 "[ . ]" 1
34 1 3 LEU HB2 1 17 GLU QG . . 4.380 2.724 2.480 3.184 . 0 0 "[ . ]" 1
35 1 3 LEU HB2 1 18 ALA H . . 4.510 4.543 4.516 4.585 0.075 7 0 "[ . ]" 1
36 1 3 LEU HB3 1 3 LEU MD1 . . 3.370 3.177 3.157 3.181 . 0 0 "[ . ]" 1
37 1 3 LEU HB3 1 4 ILE H . . 4.390 4.127 4.066 4.176 . 0 0 "[ . ]" 1
38 1 3 LEU HB3 1 98 GLY H . . 5.500 4.659 4.342 4.966 . 0 0 "[ . ]" 1
39 1 3 LEU MD1 1 4 ILE H . . 3.910 2.158 1.928 2.769 . 0 0 "[ . ]" 1
40 1 3 LEU MD1 1 4 ILE HB . . 5.050 4.088 3.797 4.876 . 0 0 "[ . ]" 1
41 1 3 LEU MD1 1 5 THR HA . . 5.260 3.908 3.691 4.495 . 0 0 "[ . ]" 1
42 1 3 LEU MD1 1 16 TYR H . . 4.200 2.035 1.941 2.253 . 0 0 "[ . ]" 1
43 1 3 LEU MD1 1 16 TYR HA . . 4.160 3.019 2.738 3.184 . 0 0 "[ . ]" 1
44 1 3 LEU MD1 1 17 GLU H . . 3.860 3.101 2.722 3.241 . 0 0 "[ . ]" 1
45 1 3 LEU MD1 1 17 GLU HA . . 3.610 2.239 1.978 2.483 . 0 0 "[ . ]" 1
46 1 3 LEU MD1 1 17 GLU HB2 . . 5.220 4.267 3.837 4.421 . 0 0 "[ . ]" 1
47 1 3 LEU MD1 1 17 GLU HG2 . . 4.250 3.788 3.194 4.151 . 0 0 "[ . ]" 1
48 1 3 LEU MD1 1 17 GLU HG3 . . 4.250 3.079 2.265 3.801 . 0 0 "[ . ]" 1
49 1 3 LEU MD1 1 18 ALA H . . 3.570 3.477 3.273 3.587 0.017 4 0 "[ . ]" 1
50 1 3 LEU HG 1 4 ILE H . . 3.930 2.856 2.746 2.957 . 0 0 "[ . ]" 1
51 1 3 LEU HG 1 4 ILE HA . . 4.040 3.634 3.547 3.704 . 0 0 "[ . ]" 1
52 1 3 LEU HG 1 4 ILE HB . . 5.110 5.064 4.904 5.121 0.011 6 0 "[ . ]" 1
53 1 3 LEU HG 1 4 ILE MD . . 4.590 4.577 4.493 4.633 0.043 5 0 "[ . ]" 1
54 1 3 LEU HG 1 5 THR H . . 4.840 4.242 3.975 4.468 . 0 0 "[ . ]" 1
55 1 3 LEU HG 1 16 TYR H . . 4.310 4.252 3.998 4.336 0.026 5 0 "[ . ]" 1
56 1 4 ILE H 1 4 ILE HB . . 3.380 2.696 2.631 2.789 . 0 0 "[ . ]" 1
57 1 4 ILE H 1 4 ILE MD . . 3.910 3.408 3.329 3.546 . 0 0 "[ . ]" 1
58 1 4 ILE H 1 4 ILE HG12 . . 3.980 2.724 2.658 2.828 . 0 0 "[ . ]" 1
59 1 4 ILE H 1 4 ILE HG13 . . 4.290 4.139 4.085 4.200 . 0 0 "[ . ]" 1
60 1 4 ILE H 1 4 ILE MG . . 4.070 3.876 3.846 3.911 . 0 0 "[ . ]" 1
61 1 4 ILE H 1 16 TYR H . . 3.930 3.775 3.691 3.858 . 0 0 "[ . ]" 1
62 1 4 ILE H 1 16 TYR HA . . 5.500 5.483 5.347 5.561 0.061 3 0 "[ . ]" 1
63 1 4 ILE H 1 17 GLU HA . . 4.850 3.415 3.238 3.825 . 0 0 "[ . ]" 1
64 1 4 ILE H 1 18 ALA H . . 4.710 3.238 3.139 3.413 . 0 0 "[ . ]" 1
65 1 4 ILE HA 1 4 ILE MD . . 3.630 2.068 1.963 2.142 . 0 0 "[ . ]" 1
66 1 4 ILE HA 1 5 THR H . . 3.190 2.167 2.144 2.208 . 0 0 "[ . ]" 1
67 1 4 ILE HB 1 16 TYR H . . 4.910 4.817 4.675 4.924 0.014 8 0 "[ . ]" 1
68 1 4 ILE HB 1 18 ALA H . . 4.970 4.515 4.202 4.728 . 0 0 "[ . ]" 1
69 1 4 ILE MD 1 4 ILE MG . . 3.530 2.039 1.962 2.145 . 0 0 "[ . ]" 1
70 1 4 ILE MD 1 5 THR H . . 3.840 3.629 3.541 3.705 . 0 0 "[ . ]" 1
71 1 4 ILE MD 1 18 ALA MB . . 4.020 3.375 2.984 3.978 . 0 0 "[ . ]" 1
72 1 4 ILE MD 1 92 LEU QD . . 4.560 3.933 3.286 4.560 . 0 0 "[ . ]" 1
73 1 4 ILE MD 1 93 THR H . . 4.420 4.234 3.955 4.450 0.030 5 0 "[ . ]" 1
74 1 4 ILE MD 1 96 LEU H . . 4.250 3.060 2.686 3.273 . 0 0 "[ . ]" 1
75 1 4 ILE MD 1 96 LEU HB2 . . 4.160 1.923 1.887 1.983 . 0 0 "[ . ]" 1
76 1 4 ILE MD 1 96 LEU MD1 . . 4.060 3.154 2.991 3.377 . 0 0 "[ . ]" 1
77 1 4 ILE MD 1 97 ASP H . . 4.130 3.429 3.142 3.680 . 0 0 "[ . ]" 1
78 1 4 ILE MD 1 98 GLY H . . 3.800 3.161 2.862 3.430 . 0 0 "[ . ]" 1
79 1 4 ILE MD 1 99 LEU H . . 3.630 3.431 3.115 3.641 0.011 2 0 "[ . ]" 1
80 1 4 ILE MD 1 101 VAL H . . 5.500 5.480 5.324 5.543 0.043 5 0 "[ . ]" 1
81 1 4 ILE MD 1 101 VAL MG2 . . 4.060 3.856 3.610 4.051 . 0 0 "[ . ]" 1
82 1 4 ILE HG12 1 96 LEU HB2 . . 4.470 4.343 4.296 4.459 . 0 0 "[ . ]" 1
83 1 4 ILE HG13 1 92 LEU HA . . 5.500 5.334 5.064 5.567 0.067 3 0 "[ . ]" 1
84 1 4 ILE HG13 1 93 THR H . . 4.190 4.089 3.985 4.201 0.011 8 0 "[ . ]" 1
85 1 4 ILE HG13 1 96 LEU HB2 . . 3.150 3.190 3.180 3.203 0.053 6 0 "[ . ]" 1
86 1 4 ILE HG13 1 96 LEU MD1 . . 4.710 3.589 3.326 3.813 . 0 0 "[ . ]" 1
87 1 4 ILE MG 1 5 THR H . . 3.300 2.529 2.327 2.712 . 0 0 "[ . ]" 1
88 1 4 ILE MG 1 5 THR MG . . 4.730 4.710 4.628 4.745 0.015 3 0 "[ . ]" 1
89 1 4 ILE MG 1 6 PHE H . . 4.630 4.071 3.706 4.291 . 0 0 "[ . ]" 1
90 1 4 ILE MG 1 6 PHE HA . . 4.980 3.851 3.729 4.041 . 0 0 "[ . ]" 1
91 1 4 ILE MG 1 16 TYR H . . 5.500 5.476 5.292 5.515 0.015 8 0 "[ . ]" 1
92 1 4 ILE MG 1 93 THR H . . 4.930 4.786 4.528 4.947 0.017 2 0 "[ . ]" 1
93 1 4 ILE MG 1 99 LEU H . . 4.680 4.467 4.054 4.702 0.022 3 0 "[ . ]" 1
94 1 4 ILE MG 1 100 CYS HA . . 5.020 3.807 3.585 4.105 . 0 0 "[ . ]" 1
95 1 5 THR H 1 5 THR HB . . 3.410 2.509 2.478 2.580 . 0 0 "[ . ]" 1
96 1 5 THR H 1 5 THR MG . . 3.930 3.793 3.776 3.820 . 0 0 "[ . ]" 1
97 1 5 THR H 1 6 PHE H . . 5.410 4.331 4.236 4.436 . 0 0 "[ . ]" 1
98 1 5 THR H 1 99 LEU H . . 4.870 4.713 4.349 4.874 0.004 5 0 "[ . ]" 1
99 1 5 THR H 1 100 CYS HA . . 3.580 3.166 2.898 3.502 . 0 0 "[ . ]" 1
100 1 5 THR HA 1 6 PHE H . . 3.040 2.156 2.141 2.169 . 0 0 "[ . ]" 1
101 1 5 THR HA 1 15 THR HA . . 3.690 3.268 2.729 3.686 . 0 0 "[ . ]" 1
102 1 5 THR HA 1 16 TYR H . . 5.290 4.314 3.952 4.520 . 0 0 "[ . ]" 1
103 1 5 THR HB 1 6 PHE H . . 4.560 4.356 4.201 4.420 . 0 0 "[ . ]" 1
104 1 5 THR HB 1 100 CYS HA . . 4.200 2.404 2.005 2.815 . 0 0 "[ . ]" 1
105 1 5 THR HB 1 101 VAL H . . 4.160 3.790 3.579 4.163 0.003 3 0 "[ . ]" 1
106 1 5 THR MG 1 6 PHE H . . 3.400 2.820 2.357 2.970 . 0 0 "[ . ]" 1
107 1 5 THR MG 1 6 PHE HA . . 4.980 3.965 3.790 4.111 . 0 0 "[ . ]" 1
108 1 5 THR MG 1 7 ILE H . . 4.480 4.366 4.084 4.488 0.008 8 0 "[ . ]" 1
109 1 5 THR MG 1 7 ILE MD . . 3.440 3.030 2.909 3.157 . 0 0 "[ . ]" 1
110 1 5 THR MG 1 7 ILE HG13 . . 3.980 2.883 2.699 3.033 . 0 0 "[ . ]" 1
111 1 5 THR MG 1 13 ARG HA . . 4.270 4.134 3.942 4.292 0.022 7 0 "[ . ]" 1
112 1 5 THR MG 1 13 ARG QB . . 4.220 2.740 2.497 2.935 . 0 0 "[ . ]" 1
113 1 5 THR MG 1 13 ARG QD . . 4.900 3.982 3.052 4.916 0.016 7 0 "[ . ]" 1
114 1 5 THR MG 1 14 LYS H . . 3.910 3.777 3.143 3.919 0.009 3 0 "[ . ]" 1
115 1 5 THR MG 1 100 CYS HA . . 4.660 3.627 3.298 3.795 . 0 0 "[ . ]" 1
116 1 5 THR MG 1 101 VAL H . . 4.540 4.282 4.143 4.434 . 0 0 "[ . ]" 1
117 1 6 PHE H 1 6 PHE HB2 . . 3.340 2.499 2.320 2.648 . 0 0 "[ . ]" 1
118 1 6 PHE H 1 6 PHE HB3 . . 3.860 3.637 3.505 3.673 . 0 0 "[ . ]" 1
119 1 6 PHE H 1 6 PHE QD . . 3.800 3.118 2.302 3.456 . 0 0 "[ . ]" 1
120 1 6 PHE H 1 7 ILE H . . 4.750 4.465 4.347 4.538 . 0 0 "[ . ]" 1
121 1 6 PHE H 1 14 LYS H . . 3.640 3.344 3.001 3.660 0.020 5 0 "[ . ]" 1
122 1 6 PHE H 1 14 LYS HA . . 5.460 5.084 4.833 5.204 . 0 0 "[ . ]" 1
123 1 6 PHE H 1 14 LYS HB2 . . 4.150 3.694 3.321 3.957 . 0 0 "[ . ]" 1
124 1 6 PHE HA 1 7 ILE H . . 2.860 2.162 2.140 2.202 . 0 0 "[ . ]" 1
125 1 6 PHE HA 1 14 LYS HB2 . . 5.500 5.189 4.892 5.506 0.006 5 0 "[ . ]" 1
126 1 6 PHE HA 1 101 VAL H . . 4.510 3.593 3.362 3.787 . 0 0 "[ . ]" 1
127 1 6 PHE HA 1 101 VAL MG2 . . 4.710 3.632 2.980 3.848 . 0 0 "[ . ]" 1
128 1 6 PHE HA 1 103 LEU H . . 4.380 4.055 3.699 4.405 0.025 7 0 "[ . ]" 1
129 1 6 PHE HB2 1 7 ILE H . . 4.340 4.192 4.041 4.297 . 0 0 "[ . ]" 1
130 1 6 PHE HB2 1 13 ARG HA . . 5.080 4.843 4.625 5.085 0.005 3 0 "[ . ]" 1
131 1 6 PHE HB2 1 14 LYS H . . 3.580 3.155 2.882 3.425 . 0 0 "[ . ]" 1
132 1 6 PHE HB3 1 7 ILE H . . 3.950 3.297 3.016 3.608 . 0 0 "[ . ]" 1
133 1 6 PHE HB3 1 14 LYS H . . 4.920 4.264 3.643 4.677 . 0 0 "[ . ]" 1
134 1 6 PHE QD 1 101 VAL MG1 . . 5.460 5.411 5.252 5.493 0.033 7 0 "[ . ]" 1
135 1 6 PHE QD 1 101 VAL MG2 . . 4.470 2.875 2.692 3.246 . 0 0 "[ . ]" 1
136 1 6 PHE QE 1 101 VAL MG1 . . 5.500 5.397 5.127 5.513 0.013 6 0 "[ . ]" 1
137 1 6 PHE QE 1 101 VAL MG2 . . 4.480 3.003 2.755 3.309 . 0 0 "[ . ]" 1
138 1 7 ILE H 1 7 ILE HB . . 3.370 2.662 2.631 2.709 . 0 0 "[ . ]" 1
139 1 7 ILE H 1 7 ILE MD . . 3.760 2.134 1.933 2.319 . 0 0 "[ . ]" 1
140 1 7 ILE H 1 7 ILE HG13 . . 3.580 3.059 2.816 3.260 . 0 0 "[ . ]" 1
141 1 7 ILE H 1 7 ILE MG . . 3.910 3.840 3.809 3.878 . 0 0 "[ . ]" 1
142 1 7 ILE H 1 101 VAL H . . 4.520 4.336 3.803 4.544 0.024 7 0 "[ . ]" 1
143 1 7 ILE H 1 101 VAL MG2 . . 4.900 4.651 4.064 4.883 . 0 0 "[ . ]" 1
144 1 7 ILE H 1 102 ILE HA . . 3.780 2.704 2.457 2.991 . 0 0 "[ . ]" 1
145 1 7 ILE H 1 103 LEU H . . 4.190 3.545 3.290 3.803 . 0 0 "[ . ]" 1
146 1 7 ILE HA 1 7 ILE MD . . 4.420 3.507 3.479 3.574 . 0 0 "[ . ]" 1
147 1 7 ILE HA 1 7 ILE HG13 . . 4.200 2.468 2.443 2.497 . 0 0 "[ . ]" 1
148 1 7 ILE HA 1 7 ILE MG . . 3.710 2.263 2.193 2.357 . 0 0 "[ . ]" 1
149 1 7 ILE HA 1 8 SER H . . 3.090 2.182 2.141 2.230 . 0 0 "[ . ]" 1
150 1 7 ILE HA 1 13 ARG HA . . 3.800 2.412 2.105 2.627 . 0 0 "[ . ]" 1
151 1 7 ILE HA 1 13 ARG QB . . 4.230 3.163 2.723 3.539 . 0 0 "[ . ]" 1
152 1 7 ILE HB 1 8 SER H . . 4.330 4.018 3.830 4.318 . 0 0 "[ . ]" 1
153 1 7 ILE HB 1 102 ILE HA . . 4.110 3.472 3.145 3.749 . 0 0 "[ . ]" 1
154 1 7 ILE HB 1 102 ILE MD . . 4.990 2.027 1.901 2.278 . 0 0 "[ . ]" 1
155 1 7 ILE HB 1 102 ILE MG . . 4.500 4.159 3.907 4.391 . 0 0 "[ . ]" 1
156 1 7 ILE MD 1 7 ILE MG . . 3.730 3.130 3.097 3.148 . 0 0 "[ . ]" 1
157 1 7 ILE MD 1 13 ARG HA . . 5.170 5.136 5.009 5.194 0.024 2 0 "[ . ]" 1
158 1 7 ILE MD 1 13 ARG QB . . 5.140 4.596 4.226 4.894 . 0 0 "[ . ]" 1
159 1 7 ILE MD 1 101 VAL H . . 4.170 2.633 2.464 2.745 . 0 0 "[ . ]" 1
160 1 7 ILE MD 1 101 VAL HB . . 4.700 4.704 4.691 4.713 0.013 1 0 "[ . ]" 1
161 1 7 ILE MD 1 101 VAL MG1 . . 4.370 4.293 4.195 4.334 . 0 0 "[ . ]" 1
162 1 7 ILE MD 1 101 VAL MG2 . . 4.070 3.873 3.677 3.988 . 0 0 "[ . ]" 1
163 1 7 ILE MD 1 102 ILE H . . 4.190 3.782 3.714 3.886 . 0 0 "[ . ]" 1
164 1 7 ILE MD 1 102 ILE HG12 . . 3.950 3.565 3.220 3.956 0.006 5 0 "[ . ]" 1
165 1 7 ILE HG13 1 8 SER H . . 4.840 4.513 4.439 4.648 . 0 0 "[ . ]" 1
166 1 7 ILE HG13 1 13 ARG HA . . 4.480 4.077 3.776 4.221 . 0 0 "[ . ]" 1
167 1 7 ILE MG 1 8 SER H . . 3.220 2.381 1.988 3.090 . 0 0 "[ . ]" 1
168 1 7 ILE MG 1 11 GLY H . . 4.070 4.034 3.877 4.089 0.019 7 0 "[ . ]" 1
169 1 7 ILE MG 1 11 GLY HA2 . . 5.120 3.586 3.436 3.721 . 0 0 "[ . ]" 1
170 1 7 ILE MG 1 11 GLY QA . . 4.330 3.505 3.359 3.633 . 0 0 "[ . ]" 1
171 1 7 ILE MG 1 11 GLY HA3 . . 5.120 4.942 4.739 5.080 . 0 0 "[ . ]" 1
172 1 7 ILE MG 1 12 SER H . . 4.480 4.271 4.024 4.486 0.006 7 0 "[ . ]" 1
173 1 7 ILE MG 1 13 ARG H . . 5.430 5.204 4.791 5.434 0.004 7 0 "[ . ]" 1
174 1 7 ILE MG 1 13 ARG HA . . 4.530 3.750 3.308 4.044 . 0 0 "[ . ]" 1
175 1 7 ILE MG 1 13 ARG QB . . 4.610 3.476 2.513 3.989 . 0 0 "[ . ]" 1
176 1 7 ILE MG 1 13 ARG QD . . 5.340 4.609 4.058 5.276 . 0 0 "[ . ]" 1
177 1 7 ILE MG 1 102 ILE MD . . 4.230 3.009 2.815 3.206 . 0 0 "[ . ]" 1
178 1 7 ILE MG 1 102 ILE MG . . 5.390 4.792 4.390 5.057 . 0 0 "[ . ]" 1
179 1 8 SER H 1 12 SER H . . 4.300 3.750 3.419 4.031 . 0 0 "[ . ]" 1
180 1 8 SER H 1 12 SER QB . . 3.750 3.691 3.465 3.763 0.013 5 0 "[ . ]" 1
181 1 8 SER H 1 13 ARG HA . . 3.940 2.955 2.609 3.170 . 0 0 "[ . ]" 1
182 1 9 PRO HB2 1 10 ASP H . . 3.830 3.662 3.472 3.791 . 0 0 "[ . ]" 1
183 1 9 PRO HB2 1 11 GLY H . . 5.100 5.029 4.937 5.104 0.004 1 0 "[ . ]" 1
184 1 9 PRO HB3 1 10 ASP H . . 4.550 4.331 4.221 4.406 . 0 0 "[ . ]" 1
185 1 9 PRO QD 1 10 ASP H . . 4.040 2.698 2.617 2.773 . 0 0 "[ . ]" 1
186 1 9 PRO QD 1 11 GLY H . . 5.350 4.561 4.185 4.811 . 0 0 "[ . ]" 1
187 1 10 ASP H 1 10 ASP HB2 . . 3.970 2.587 2.285 3.652 . 0 0 "[ . ]" 1
188 1 10 ASP H 1 10 ASP QB . . 3.410 2.391 2.259 2.623 . 0 0 "[ . ]" 1
189 1 10 ASP H 1 10 ASP HB3 . . 3.970 3.302 2.549 3.637 . 0 0 "[ . ]" 1
190 1 10 ASP H 1 11 GLY H . . 3.450 2.546 2.378 2.739 . 0 0 "[ . ]" 1
191 1 10 ASP H 1 12 SER H . . 4.210 3.279 3.041 3.520 . 0 0 "[ . ]" 1
192 1 10 ASP H 1 12 SER QB . . 4.490 4.079 3.619 4.494 0.004 1 0 "[ . ]" 1
193 1 10 ASP HA 1 11 GLY QA . . 4.490 4.125 4.081 4.184 . 0 0 "[ . ]" 1
194 1 10 ASP HA 1 12 SER H . . 4.770 4.435 4.273 4.777 0.007 2 0 "[ . ]" 1
195 1 10 ASP QB 1 12 SER H . . 4.070 3.145 2.873 3.766 . 0 0 "[ . ]" 1
196 1 11 GLY H 1 12 SER H . . 3.150 2.486 2.081 2.719 . 0 0 "[ . ]" 1
197 1 11 GLY H 1 12 SER QB . . 4.880 4.375 3.956 4.854 . 0 0 "[ . ]" 1
198 1 12 SER H 1 12 SER QB . . 2.990 2.286 2.159 2.547 . 0 0 "[ . ]" 1
199 1 12 SER H 1 13 ARG H . . 4.650 4.526 4.441 4.597 . 0 0 "[ . ]" 1
200 1 12 SER HA 1 13 ARG H . . 3.000 2.575 2.413 2.711 . 0 0 "[ . ]" 1
201 1 12 SER HA 1 13 ARG HA . . 5.500 4.563 4.505 4.641 . 0 0 "[ . ]" 1
202 1 12 SER QB 1 13 ARG H . . 3.350 2.266 1.928 3.104 . 0 0 "[ . ]" 1
203 1 12 SER QB 1 13 ARG HA . . 4.560 3.899 3.781 4.096 . 0 0 "[ . ]" 1
204 1 13 ARG H 1 13 ARG QB . . 3.370 3.225 2.902 3.366 . 0 0 "[ . ]" 1
205 1 13 ARG H 1 13 ARG QD . . 4.940 3.982 2.617 4.515 . 0 0 "[ . ]" 1
206 1 13 ARG H 1 13 ARG QG . . 3.840 2.461 2.334 2.819 . 0 0 "[ . ]" 1
207 1 13 ARG H 1 14 LYS QE . . 4.730 3.793 3.086 4.745 0.015 8 0 "[ . ]" 1
208 1 13 ARG HA 1 14 LYS H . . 2.930 2.187 2.147 2.261 . 0 0 "[ . ]" 1
209 1 13 ARG HA 1 14 LYS HA . . 5.500 4.394 4.383 4.422 . 0 0 "[ . ]" 1
210 1 13 ARG QB 1 13 ARG QD . . 3.250 2.182 2.096 2.315 . 0 0 "[ . ]" 1
211 1 13 ARG QB 1 14 LYS QE . . 5.180 5.005 4.601 5.417 0.237 5 0 "[ . ]" 1
212 1 14 LYS H 1 14 LYS HB2 . . 3.210 2.589 2.394 2.855 . 0 0 "[ . ]" 1
213 1 14 LYS H 1 14 LYS HB3 . . 3.950 3.709 3.608 3.842 . 0 0 "[ . ]" 1
214 1 14 LYS H 1 14 LYS QE . . 3.980 3.742 3.044 4.045 0.065 5 0 "[ . ]" 1
215 1 14 LYS H 1 14 LYS QG . . 4.340 2.868 2.225 3.647 . 0 0 "[ . ]" 1
216 1 14 LYS H 1 15 THR H . . 4.700 4.506 4.452 4.550 . 0 0 "[ . ]" 1
217 1 14 LYS H 1 15 THR HA . . 5.260 5.028 4.899 5.144 . 0 0 "[ . ]" 1
218 1 14 LYS HA 1 14 LYS QG . . 3.530 2.691 2.245 3.238 . 0 0 "[ . ]" 1
219 1 14 LYS HA 1 15 THR H . . 2.970 2.280 2.212 2.351 . 0 0 "[ . ]" 1
220 1 14 LYS HB2 1 14 LYS QD . . 3.660 2.970 2.199 3.515 . 0 0 "[ . ]" 1
221 1 14 LYS HB2 1 15 THR H . . 4.120 3.831 3.488 4.121 0.001 9 0 "[ . ]" 1
222 1 14 LYS HB3 1 15 THR H . . 3.480 2.792 2.566 2.970 . 0 0 "[ . ]" 1
223 1 14 LYS QG 1 15 THR H . . 4.540 4.239 3.642 4.561 0.021 5 0 "[ . ]" 1
224 1 15 THR H 1 15 THR HB . . 3.410 2.834 2.721 3.444 0.034 5 0 "[ . ]" 1
225 1 15 THR H 1 15 THR MG . . 3.880 3.893 3.883 3.904 0.024 2 0 "[ . ]" 1
226 1 15 THR H 1 16 TYR H . . 4.340 4.133 4.012 4.253 . 0 0 "[ . ]" 1
227 1 15 THR H 1 16 TYR QD . . 4.210 3.129 2.822 3.384 . 0 0 "[ . ]" 1
228 1 15 THR HA 1 15 THR MG . . 3.590 2.273 2.098 2.415 . 0 0 "[ . ]" 1
229 1 15 THR HA 1 16 TYR H . . 3.250 2.146 2.145 2.147 . 0 0 "[ . ]" 1
230 1 15 THR HB 1 16 TYR H . . 4.410 4.254 3.847 4.369 . 0 0 "[ . ]" 1
231 1 15 THR MG 1 16 TYR H . . 3.430 2.965 2.792 3.233 . 0 0 "[ . ]" 1
232 1 16 TYR H 1 16 TYR HB2 . . 3.790 3.130 2.738 3.883 0.093 7 0 "[ . ]" 1
233 1 16 TYR H 1 16 TYR QB . . 3.290 2.897 2.678 3.319 0.029 3 0 "[ . ]" 1
234 1 16 TYR H 1 16 TYR HB3 . . 3.790 3.723 3.505 3.819 0.029 4 0 "[ . ]" 1
235 1 16 TYR H 1 16 TYR QD . . 3.550 3.368 3.266 3.450 . 0 0 "[ . ]" 1
236 1 16 TYR H 1 16 TYR QE . . 5.500 5.136 4.347 5.522 0.022 4 0 "[ . ]" 1
237 1 16 TYR H 1 17 GLU H . . 4.560 4.230 4.198 4.279 . 0 0 "[ . ]" 1
238 1 16 TYR H 1 17 GLU HA . . 5.500 4.713 4.660 4.849 . 0 0 "[ . ]" 1
239 1 16 TYR HA 1 16 TYR QD . . 3.680 3.257 2.987 3.730 0.050 5 0 "[ . ]" 1
240 1 16 TYR HA 1 17 GLU H . . 3.110 2.177 2.161 2.217 . 0 0 "[ . ]" 1
241 1 16 TYR QB 1 17 GLU H . . 3.420 3.084 2.894 3.173 . 0 0 "[ . ]" 1
242 1 16 TYR QB 1 27 LEU MD1 . . 3.990 3.562 3.099 3.999 0.009 3 0 "[ . ]" 1
243 1 16 TYR QD 1 17 GLU H . . 4.130 3.978 3.863 4.163 0.033 7 0 "[ . ]" 1
244 1 16 TYR QD 1 27 LEU MD1 . . 4.180 3.857 2.836 4.189 0.009 4 0 "[ . ]" 1
245 1 17 GLU H 1 17 GLU HB2 . . 3.230 2.223 2.132 2.313 . 0 0 "[ . ]" 1
246 1 17 GLU H 1 17 GLU HB3 . . 3.690 3.510 3.444 3.556 . 0 0 "[ . ]" 1
247 1 17 GLU H 1 17 GLU HG2 . . 4.150 4.046 3.883 4.145 . 0 0 "[ . ]" 1
248 1 17 GLU H 1 17 GLU QG . . 3.370 2.796 2.587 2.998 . 0 0 "[ . ]" 1
249 1 17 GLU H 1 17 GLU HG3 . . 4.150 2.853 2.622 3.088 . 0 0 "[ . ]" 1
250 1 17 GLU HA 1 18 ALA H . . 3.110 2.143 2.139 2.163 . 0 0 "[ . ]" 1
251 1 17 GLU HB2 1 18 ALA H . . 5.240 4.433 4.319 4.541 . 0 0 "[ . ]" 1
252 1 17 GLU HB3 1 18 ALA H . . 3.680 3.498 3.260 3.696 0.016 5 0 "[ . ]" 1
253 1 17 GLU QG 1 18 ALA H . . 4.160 3.820 3.615 4.041 . 0 0 "[ . ]" 1
254 1 17 GLU HG2 1 18 ALA H . . 4.900 4.087 3.758 4.416 . 0 0 "[ . ]" 1
255 1 17 GLU HG3 1 18 ALA H . . 4.900 4.629 4.492 4.801 . 0 0 "[ . ]" 1
256 1 18 ALA H 1 18 ALA MB . . 3.150 2.307 2.240 2.417 . 0 0 "[ . ]" 1
257 1 18 ALA H 1 27 LEU MD1 . . 5.500 4.391 3.827 4.747 . 0 0 "[ . ]" 1
258 1 18 ALA HA 1 19 TYR H . . 3.230 2.443 2.348 2.662 . 0 0 "[ . ]" 1
259 1 18 ALA HA 1 27 LEU MD1 . . 3.230 2.328 1.993 2.505 . 0 0 "[ . ]" 1
260 1 18 ALA HA 1 27 LEU MD2 . . 4.580 3.697 2.944 4.136 . 0 0 "[ . ]" 1
261 1 18 ALA MB 1 19 TYR H . . 3.270 2.441 2.189 2.570 . 0 0 "[ . ]" 1
262 1 18 ALA MB 1 19 TYR HA . . 4.470 4.040 3.894 4.229 . 0 0 "[ . ]" 1
263 1 18 ALA MB 1 24 LEU HA . . 5.500 5.195 4.389 5.516 0.016 5 0 "[ . ]" 1
264 1 18 ALA MB 1 27 LEU MD1 . . 3.370 3.254 2.357 3.381 0.011 2 0 "[ . ]" 1
265 1 18 ALA MB 1 92 LEU H . . 5.500 5.227 4.851 5.568 0.068 5 0 "[ . ]" 1
266 1 18 ALA MB 1 92 LEU QB . . 4.330 2.906 2.452 3.802 . 0 0 "[ . ]" 1
267 1 18 ALA MB 1 92 LEU QD . . 3.480 2.130 1.632 2.824 . 0 0 "[ . ]" 1
268 1 18 ALA MB 1 93 THR H . . 5.500 4.385 4.093 5.421 . 0 0 "[ . ]" 1
269 1 19 TYR H 1 19 TYR HB2 . . 3.530 2.382 2.228 2.559 . 0 0 "[ . ]" 1
270 1 19 TYR H 1 19 TYR HB3 . . 3.450 3.340 3.076 3.461 0.011 6 0 "[ . ]" 1
271 1 19 TYR H 1 19 TYR QD . . 4.190 3.683 3.444 3.885 . 0 0 "[ . ]" 1
272 1 19 TYR H 1 20 ASP H . . 4.590 4.418 4.387 4.437 . 0 0 "[ . ]" 1
273 1 19 TYR H 1 22 GLU H . . 4.690 4.188 3.914 4.457 . 0 0 "[ . ]" 1
274 1 19 TYR H 1 22 GLU HB2 . . 4.690 4.364 4.120 4.678 . 0 0 "[ . ]" 1
275 1 19 TYR H 1 22 GLU QB . . 4.020 2.874 2.490 3.158 . 0 0 "[ . ]" 1
276 1 19 TYR H 1 22 GLU HB3 . . 4.690 2.917 2.511 3.212 . 0 0 "[ . ]" 1
277 1 19 TYR H 1 22 GLU QG . . 4.340 4.189 3.889 4.354 0.014 1 0 "[ . ]" 1
278 1 19 TYR H 1 27 LEU MD1 . . 3.850 3.644 3.200 3.849 . 0 0 "[ . ]" 1
279 1 19 TYR HA 1 19 TYR QD . . 3.930 2.895 2.622 3.010 . 0 0 "[ . ]" 1
280 1 19 TYR HA 1 20 ASP H . . 2.820 2.641 2.600 2.714 . 0 0 "[ . ]" 1
281 1 19 TYR HA 1 27 LEU MD1 . . 5.500 5.408 5.033 5.510 0.010 4 0 "[ . ]" 1
282 1 19 TYR HB2 1 22 GLU H . . 4.410 4.144 4.001 4.427 0.017 3 0 "[ . ]" 1
283 1 19 TYR HB3 1 20 ASP H . . 3.620 2.183 2.142 2.281 . 0 0 "[ . ]" 1
284 1 19 TYR HB3 1 21 GLY H . . 5.500 4.976 4.358 5.162 . 0 0 "[ . ]" 1
285 1 19 TYR HB3 1 22 GLU H . . 3.710 3.308 3.082 3.514 . 0 0 "[ . ]" 1
286 1 19 TYR QD 1 20 ASP H . . 4.400 2.381 2.165 2.739 . 0 0 "[ . ]" 1
287 1 20 ASP H 1 20 ASP QB . . 3.010 2.631 2.278 2.950 . 0 0 "[ . ]" 1
288 1 20 ASP H 1 21 GLY H . . 4.610 4.332 4.041 4.398 . 0 0 "[ . ]" 1
289 1 20 ASP H 1 22 GLU QB . . 4.320 3.629 3.480 3.905 . 0 0 "[ . ]" 1
290 1 20 ASP HA 1 21 GLY H . . 2.680 2.155 2.144 2.212 . 0 0 "[ . ]" 1
291 1 20 ASP HA 1 22 GLU H . . 3.690 3.577 3.535 3.742 0.052 8 0 "[ . ]" 1
292 1 20 ASP HA 1 22 GLU QB . . 5.120 4.730 4.655 5.010 . 0 0 "[ . ]" 1
293 1 20 ASP HA 1 93 THR HA . . 4.020 2.027 1.979 2.347 . 0 0 "[ . ]" 1
294 1 20 ASP HA 1 93 THR HB . . 4.640 3.284 2.897 4.088 . 0 0 "[ . ]" 1
295 1 20 ASP QB 1 21 GLY H . . 4.380 3.607 3.405 3.892 . 0 0 "[ . ]" 1
296 1 21 GLY H 1 22 GLU H . . 3.080 2.603 2.241 2.657 . 0 0 "[ . ]" 1
297 1 21 GLY H 1 22 GLU QB . . 5.230 4.490 4.248 4.533 . 0 0 "[ . ]" 1
298 1 21 GLY H 1 51 ILE MG . . 5.440 5.071 4.967 5.167 . 0 0 "[ . ]" 1
299 1 21 GLY H 1 91 ILE MD . . 5.500 4.566 4.313 4.921 . 0 0 "[ . ]" 1
300 1 21 GLY H 1 92 LEU QB . . 5.340 4.798 4.598 5.094 . 0 0 "[ . ]" 1
301 1 21 GLY H 1 93 THR H . . 4.400 4.245 4.203 4.300 . 0 0 "[ . ]" 1
302 1 21 GLY H 1 93 THR HA . . 4.180 1.923 1.913 1.935 . 0 0 "[ . ]" 1
303 1 21 GLY H 1 93 THR MG . . 4.100 3.661 3.460 3.965 . 0 0 "[ . ]" 1
304 1 21 GLY HA2 1 51 ILE MG . . 4.560 4.667 4.643 4.716 0.156 2 0 "[ . ]" 1
305 1 21 GLY HA2 1 91 ILE MD . . 4.100 2.595 2.277 2.988 . 0 0 "[ . ]" 1
306 1 21 GLY HA2 1 92 LEU H . . 5.500 5.029 4.932 5.093 . 0 0 "[ . ]" 1
307 1 21 GLY HA3 1 91 ILE MD . . 4.230 2.767 2.489 3.286 . 0 0 "[ . ]" 1
308 1 22 GLU H 1 22 GLU HB2 . . 3.250 2.702 2.525 2.789 . 0 0 "[ . ]" 1
309 1 22 GLU H 1 22 GLU QB . . 2.820 2.339 2.305 2.407 . 0 0 "[ . ]" 1
310 1 22 GLU H 1 22 GLU HB3 . . 3.250 2.576 2.458 2.768 . 0 0 "[ . ]" 1
311 1 22 GLU H 1 22 GLU QG . . 4.350 4.039 3.986 4.125 . 0 0 "[ . ]" 1
312 1 22 GLU H 1 23 THR H . . 4.570 4.452 4.389 4.510 . 0 0 "[ . ]" 1
313 1 22 GLU H 1 91 ILE HB . . 4.120 3.763 3.683 3.869 . 0 0 "[ . ]" 1
314 1 22 GLU H 1 92 LEU H . . 5.200 5.087 4.863 5.272 0.072 3 0 "[ . ]" 1
315 1 22 GLU H 1 92 LEU QD . . 5.210 4.504 2.719 5.274 0.064 7 0 "[ . ]" 1
316 1 22 GLU H 1 93 THR HA . . 4.870 3.710 3.557 4.131 . 0 0 "[ . ]" 1
317 1 22 GLU H 1 93 THR MG . . 5.490 5.485 5.382 5.534 0.044 1 0 "[ . ]" 1
318 1 22 GLU HA 1 22 GLU HG2 . . 4.160 3.527 3.097 3.739 . 0 0 "[ . ]" 1
319 1 22 GLU HA 1 22 GLU HG3 . . 4.160 2.555 2.337 2.710 . 0 0 "[ . ]" 1
320 1 22 GLU HA 1 23 THR H . . 3.350 2.150 2.138 2.175 . 0 0 "[ . ]" 1
321 1 22 GLU HB2 1 23 THR H . . 4.310 4.305 4.232 4.331 0.021 5 0 "[ . ]" 1
322 1 22 GLU HB3 1 23 THR H . . 4.310 4.152 3.887 4.335 0.025 5 0 "[ . ]" 1
323 1 22 GLU QG 1 23 THR H . . 3.630 2.715 2.421 3.055 . 0 0 "[ . ]" 1
324 1 22 GLU QG 1 27 LEU H . . 5.060 3.968 3.372 4.643 . 0 0 "[ . ]" 1
325 1 22 GLU QG 1 27 LEU MD1 . . 5.340 3.797 3.272 4.837 . 0 0 "[ . ]" 1
326 1 22 GLU HG2 1 23 THR H . . 4.320 3.959 3.313 4.324 0.004 1 0 "[ . ]" 1
327 1 22 GLU HG3 1 23 THR H . . 4.320 2.835 2.437 3.444 . 0 0 "[ . ]" 1
328 1 23 THR H 1 23 THR MG . . 3.250 2.205 2.031 3.297 0.047 1 0 "[ . ]" 1
329 1 23 THR H 1 91 ILE HA . . 4.380 4.355 4.240 4.403 0.023 9 0 "[ . ]" 1
330 1 23 THR H 1 91 ILE HB . . 4.790 3.722 3.550 3.883 . 0 0 "[ . ]" 1
331 1 23 THR H 1 91 ILE MD . . 4.710 4.454 4.128 4.684 . 0 0 "[ . ]" 1
332 1 23 THR HA 1 24 LEU H . . 3.450 2.389 2.344 2.541 . 0 0 "[ . ]" 1
333 1 23 THR HA 1 91 ILE H . . 5.500 5.481 5.399 5.521 0.021 5 0 "[ . ]" 1
334 1 23 THR HA 1 91 ILE HA . . 3.770 2.560 2.531 2.585 . 0 0 "[ . ]" 1
335 1 23 THR HA 1 91 ILE MD . . 5.500 5.243 5.032 5.414 . 0 0 "[ . ]" 1
336 1 23 THR HA 1 92 LEU H . . 3.640 3.070 2.748 3.251 . 0 0 "[ . ]" 1
337 1 23 THR HA 1 92 LEU QD . . 4.960 3.270 2.597 3.714 . 0 0 "[ . ]" 1
338 1 23 THR HA 1 92 LEU HG . . 4.870 4.037 3.193 4.859 . 0 0 "[ . ]" 1
339 1 23 THR HB 1 24 LEU H . . 4.310 3.574 2.308 3.768 . 0 0 "[ . ]" 1
340 1 23 THR MG 1 24 LEU H . . 4.590 3.517 2.679 3.686 . 0 0 "[ . ]" 1
341 1 23 THR MG 1 91 ILE MD . . 4.750 4.696 4.266 4.775 0.025 2 0 "[ . ]" 1
342 1 24 LEU H 1 24 LEU QB . . 3.580 2.213 2.029 2.675 . 0 0 "[ . ]" 1
343 1 24 LEU H 1 24 LEU QD . . 4.630 2.749 2.046 3.625 . 0 0 "[ . ]" 1
344 1 24 LEU H 1 24 LEU HG . . 4.280 3.647 2.009 4.298 0.018 1 0 "[ . ]" 1
345 1 24 LEU H 1 27 LEU QB . . 5.340 4.842 4.591 5.227 . 0 0 "[ . ]" 1
346 1 24 LEU H 1 91 ILE HA . . 4.740 4.380 4.279 4.589 . 0 0 "[ . ]" 1
347 1 24 LEU H 1 92 LEU H . . 4.650 4.432 4.116 4.663 0.013 1 0 "[ . ]" 1
348 1 24 LEU H 1 92 LEU QD . . 4.030 3.160 2.442 3.726 . 0 0 "[ . ]" 1
349 1 24 LEU H 1 104 PRO HG2 . . 5.040 4.523 3.338 5.070 0.030 5 0 "[ . ]" 1
350 1 24 LEU H 1 104 PRO HG3 . . 4.890 3.949 3.196 4.375 . 0 0 "[ . ]" 1
351 1 24 LEU HA 1 24 LEU QD . . 3.780 2.651 1.906 3.358 . 0 0 "[ . ]" 1
352 1 24 LEU HA 1 26 SER H . . 4.440 4.246 3.680 4.449 0.009 3 0 "[ . ]" 1
353 1 24 LEU HA 1 27 LEU H . . 3.580 3.186 2.967 3.322 . 0 0 "[ . ]" 1
354 1 24 LEU HA 1 27 LEU QB . . 4.740 2.350 2.150 2.687 . 0 0 "[ . ]" 1
355 1 24 LEU HA 1 27 LEU MD2 . . 4.300 3.186 2.650 3.426 . 0 0 "[ . ]" 1
356 1 24 LEU HA 1 92 LEU QD . . 4.570 3.298 3.047 3.474 . 0 0 "[ . ]" 1
357 1 24 LEU QD 1 92 LEU H . . 5.440 4.384 3.499 5.274 . 0 0 "[ . ]" 1
358 1 24 LEU QD 1 92 LEU QD . . 3.650 2.070 1.767 3.191 . 0 0 "[ . ]" 1
359 1 24 LEU HG 1 92 LEU QD . . 4.250 3.435 2.067 4.247 . 0 0 "[ . ]" 1
360 1 25 LEU H 1 28 ALA H . . 5.500 5.229 4.740 5.487 . 0 0 "[ . ]" 1
361 1 25 LEU HA 1 28 ALA H . . 4.840 3.767 3.261 3.987 . 0 0 "[ . ]" 1
362 1 25 LEU HA 1 28 ALA MB . . 4.090 3.479 2.678 3.913 . 0 0 "[ . ]" 1
363 1 27 LEU H 1 27 LEU HB2 . . 3.440 2.133 2.059 2.170 . 0 0 "[ . ]" 1
364 1 27 LEU H 1 27 LEU QB . . 2.890 2.088 2.033 2.112 . 0 0 "[ . ]" 1
365 1 27 LEU H 1 27 LEU HB3 . . 3.440 3.013 2.902 3.369 . 0 0 "[ . ]" 1
366 1 27 LEU H 1 27 LEU MD1 . . 3.500 3.297 2.576 3.503 0.003 9 0 "[ . ]" 1
367 1 27 LEU H 1 27 LEU MD2 . . 4.250 4.172 3.919 4.296 0.046 2 0 "[ . ]" 1
368 1 27 LEU H 1 27 LEU HG . . 4.580 4.492 4.382 4.562 . 0 0 "[ . ]" 1
369 1 27 LEU H 1 28 ALA H . . 3.210 2.682 2.481 2.773 . 0 0 "[ . ]" 1
370 1 27 LEU H 1 28 ALA HA . . 5.340 5.251 5.107 5.339 . 0 0 "[ . ]" 1
371 1 27 LEU HA 1 27 LEU MD1 . . 3.550 2.265 2.129 2.461 . 0 0 "[ . ]" 1
372 1 27 LEU HA 1 27 LEU HG . . 4.260 2.658 2.568 2.821 . 0 0 "[ . ]" 1
373 1 27 LEU HA 1 29 HIS H . . 4.940 3.953 3.595 4.473 . 0 0 "[ . ]" 1
374 1 27 LEU QB 1 27 LEU MD2 . . 3.040 2.037 1.955 2.095 . 0 0 "[ . ]" 1
375 1 27 LEU QB 1 28 ALA H . . 3.330 2.784 2.578 2.955 . 0 0 "[ . ]" 1
376 1 27 LEU QB 1 29 HIS H . . 5.260 4.650 4.441 4.971 . 0 0 "[ . ]" 1
377 1 27 LEU HB2 1 28 ALA H . . 3.870 3.565 2.877 3.782 . 0 0 "[ . ]" 1
378 1 27 LEU HB3 1 28 ALA H . . 3.870 2.930 2.644 3.124 . 0 0 "[ . ]" 1
379 1 27 LEU MD1 1 30 ARG QG . . 4.530 3.694 3.178 4.131 . 0 0 "[ . ]" 1
380 1 27 LEU MD1 1 31 ASN H . . 5.500 5.351 4.781 5.510 0.010 9 0 "[ . ]" 1
381 1 27 LEU HG 1 30 ARG QG . . 4.940 4.550 2.902 4.942 0.002 5 0 "[ . ]" 1
382 1 27 LEU HG 1 31 ASN H . . 5.460 4.652 4.198 5.338 . 0 0 "[ . ]" 1
383 1 28 ALA H 1 28 ALA MB . . 2.850 2.183 2.110 2.233 . 0 0 "[ . ]" 1
384 1 28 ALA H 1 29 HIS H . . 3.550 2.735 2.696 2.813 . 0 0 "[ . ]" 1
385 1 28 ALA H 1 33 VAL MG1 . . 4.230 4.182 4.059 4.244 0.014 3 0 "[ . ]" 1
386 1 28 ALA HA 1 30 ARG H . . 4.940 4.433 3.847 4.879 . 0 0 "[ . ]" 1
387 1 28 ALA HA 1 31 ASN H . . 4.070 3.379 2.948 3.653 . 0 0 "[ . ]" 1
388 1 28 ALA HA 1 33 VAL H . . 3.740 3.549 3.254 3.723 . 0 0 "[ . ]" 1
389 1 28 ALA HA 1 33 VAL HB . . 4.490 4.268 4.065 4.505 0.015 3 0 "[ . ]" 1
390 1 28 ALA HA 1 33 VAL MG1 . . 3.400 2.051 1.914 2.418 . 0 0 "[ . ]" 1
391 1 28 ALA MB 1 29 HIS H . . 3.130 2.740 2.484 2.928 . 0 0 "[ . ]" 1
392 1 28 ALA MB 1 31 ASN H . . 5.500 4.504 4.196 4.734 . 0 0 "[ . ]" 1
393 1 28 ALA MB 1 33 VAL MG1 . . 3.650 2.049 1.826 2.337 . 0 0 "[ . ]" 1
394 1 28 ALA MB 1 35 LEU H . . 4.210 3.860 3.389 4.201 . 0 0 "[ . ]" 1
395 1 29 HIS H 1 29 HIS QB . . 3.340 2.302 2.165 2.476 . 0 0 "[ . ]" 1
396 1 29 HIS H 1 30 ARG H . . 3.830 2.687 2.528 2.879 . 0 0 "[ . ]" 1
397 1 29 HIS H 1 31 ASN H . . 4.380 3.918 3.694 4.133 . 0 0 "[ . ]" 1
398 1 29 HIS HB2 1 30 ARG H . . 3.890 2.990 2.228 4.017 0.127 3 0 "[ . ]" 1
399 1 29 HIS HB3 1 30 ARG H . . 3.890 3.289 2.666 3.891 0.001 8 0 "[ . ]" 1
400 1 30 ARG H 1 30 ARG HB2 . . 3.760 2.463 2.170 3.595 . 0 0 "[ . ]" 1
401 1 30 ARG H 1 30 ARG HB3 . . 3.760 3.439 2.589 3.597 . 0 0 "[ . ]" 1
402 1 30 ARG H 1 30 ARG QG . . 3.580 2.641 2.063 3.585 0.005 7 0 "[ . ]" 1
403 1 30 ARG H 1 31 ASN H . . 3.610 2.512 2.368 2.688 . 0 0 "[ . ]" 1
404 1 30 ARG H 1 31 ASN QB . . 4.890 4.437 4.184 4.877 . 0 0 "[ . ]" 1
405 1 30 ARG HA 1 30 ARG QG . . 3.640 2.619 2.148 3.344 . 0 0 "[ . ]" 1
406 1 30 ARG HA 1 31 ASN HA . . 5.500 4.671 4.605 4.715 . 0 0 "[ . ]" 1
407 1 30 ARG QB 1 30 ARG QG . . 2.330 2.026 2.000 2.085 . 0 0 "[ . ]" 1
408 1 30 ARG QB 1 31 ASN H . . 3.580 2.903 2.725 3.582 0.002 2 0 "[ . ]" 1
409 1 30 ARG HB2 1 31 ASN H . . 4.130 3.051 2.785 3.960 . 0 0 "[ . ]" 1
410 1 30 ARG HB3 1 31 ASN H . . 4.130 3.718 3.388 4.089 . 0 0 "[ . ]" 1
411 1 31 ASN H 1 31 ASN HB2 . . 3.690 2.488 2.296 2.773 . 0 0 "[ . ]" 1
412 1 31 ASN H 1 31 ASN QB . . 3.010 2.361 2.257 2.693 . 0 0 "[ . ]" 1
413 1 31 ASN H 1 31 ASN HB3 . . 3.690 3.028 2.665 3.653 . 0 0 "[ . ]" 1
414 1 31 ASN H 1 32 ASN H . . 3.340 2.446 2.174 2.587 . 0 0 "[ . ]" 1
415 1 31 ASN H 1 32 ASN HA . . 4.670 4.630 4.404 4.691 0.021 3 0 "[ . ]" 1
416 1 31 ASN H 1 32 ASN QB . . 5.340 5.216 4.888 5.339 . 0 0 "[ . ]" 1
417 1 31 ASN H 1 33 VAL H . . 4.100 3.851 3.476 4.103 0.003 2 0 "[ . ]" 1
418 1 31 ASN H 1 33 VAL MG1 . . 4.480 3.967 3.392 4.265 . 0 0 "[ . ]" 1
419 1 31 ASN H 1 115 ASN QB . . 5.340 4.665 4.186 5.339 . 0 0 "[ . ]" 1
420 1 31 ASN HA 1 32 ASN QD . . 3.950 3.550 3.003 3.893 . 0 0 "[ . ]" 1
421 1 31 ASN HA 1 33 VAL H . . 4.700 4.618 4.444 4.702 0.002 6 0 "[ . ]" 1
422 1 31 ASN HA 1 115 ASN QB . . 4.070 2.939 1.955 4.069 . 0 0 "[ . ]" 1
423 1 31 ASN QB 1 32 ASN QD . . 5.180 4.824 4.084 5.183 0.003 6 0 "[ . ]" 1
424 1 31 ASN QB 1 33 VAL H . . 3.710 2.873 2.684 3.101 . 0 0 "[ . ]" 1
425 1 32 ASN H 1 32 ASN HA . . 2.940 2.280 2.273 2.298 . 0 0 "[ . ]" 1
426 1 32 ASN H 1 32 ASN HB2 . . 4.130 3.694 3.373 3.966 . 0 0 "[ . ]" 1
427 1 32 ASN H 1 32 ASN QB . . 3.630 3.257 2.861 3.432 . 0 0 "[ . ]" 1
428 1 32 ASN H 1 32 ASN HB3 . . 4.130 3.781 2.938 4.089 . 0 0 "[ . ]" 1
429 1 32 ASN H 1 33 VAL H . . 3.570 2.734 2.623 2.952 . 0 0 "[ . ]" 1
430 1 32 ASN H 1 33 VAL MG1 . . 4.600 4.035 3.864 4.344 . 0 0 "[ . ]" 1
431 1 32 ASN HA 1 32 ASN QD . . 4.590 3.950 3.567 4.140 . 0 0 "[ . ]" 1
432 1 32 ASN HA 1 33 VAL H . . 3.410 2.865 2.786 2.927 . 0 0 "[ . ]" 1
433 1 32 ASN QB 1 33 VAL H . . 4.140 3.872 3.785 4.052 . 0 0 "[ . ]" 1
434 1 32 ASN HB2 1 33 VAL H . . 4.710 4.212 4.086 4.486 . 0 0 "[ . ]" 1
435 1 32 ASN HB3 1 33 VAL H . . 4.710 4.526 4.379 4.642 . 0 0 "[ . ]" 1
436 1 32 ASN QD 1 115 ASN HA . . 3.170 2.903 2.276 3.178 0.008 8 0 "[ . ]" 1
437 1 32 ASN QD 1 115 ASN QB . . 2.760 2.286 1.940 2.716 . 0 0 "[ . ]" 1
438 1 32 ASN QD 1 115 ASN HD21 . . 4.180 2.039 1.868 2.470 . 0 0 "[ . ]" 1
439 1 32 ASN QD 1 116 SER H . . 4.100 2.951 1.777 4.022 . 0 0 "[ . ]" 1
440 1 32 ASN HD21 1 115 ASN HA . . 3.830 3.533 2.765 3.834 0.004 1 0 "[ . ]" 1
441 1 32 ASN HD22 1 115 ASN HA . . 3.830 3.172 2.402 3.578 . 0 0 "[ . ]" 1
442 1 33 VAL H 1 33 VAL HB . . 2.930 2.799 2.692 2.913 . 0 0 "[ . ]" 1
443 1 33 VAL H 1 33 VAL MG1 . . 2.840 2.044 1.934 2.159 . 0 0 "[ . ]" 1
444 1 33 VAL H 1 34 ASP H . . 4.580 4.556 4.519 4.580 0.000 3 0 "[ . ]" 1
445 1 33 VAL HA 1 33 VAL MG1 . . 3.350 3.198 3.185 3.203 . 0 0 "[ . ]" 1
446 1 33 VAL HA 1 34 ASP H . . 2.990 2.280 2.268 2.301 . 0 0 "[ . ]" 1
447 1 33 VAL HB 1 34 ASP H . . 4.240 3.981 3.973 3.990 . 0 0 "[ . ]" 1
448 1 33 VAL MG1 1 34 ASP H . . 3.590 3.555 3.441 3.593 0.003 7 0 "[ . ]" 1
449 1 33 VAL MG1 1 35 LEU H . . 4.350 3.831 3.158 4.233 . 0 0 "[ . ]" 1
450 1 34 ASP H 1 34 ASP HB2 . . 3.650 2.799 2.397 3.647 . 0 0 "[ . ]" 1
451 1 34 ASP H 1 34 ASP QB . . 3.060 2.509 2.253 2.880 . 0 0 "[ . ]" 1
452 1 34 ASP H 1 34 ASP HB3 . . 3.650 3.213 2.460 3.650 0.000 2 0 "[ . ]" 1
453 1 34 ASP H 1 35 LEU H . . 4.500 4.273 4.004 4.447 . 0 0 "[ . ]" 1
454 1 34 ASP HA 1 35 LEU H . . 2.870 2.184 2.140 2.324 . 0 0 "[ . ]" 1
455 1 34 ASP QB 1 35 LEU HA . . 5.150 4.345 4.170 4.695 . 0 0 "[ . ]" 1
456 1 34 ASP HB2 1 35 LEU H . . 4.500 4.265 3.584 4.480 . 0 0 "[ . ]" 1
457 1 34 ASP HB3 1 35 LEU H . . 4.500 3.996 3.377 4.538 0.038 4 0 "[ . ]" 1
458 1 50 VAL H 1 50 VAL QG . . 4.050 2.128 2.023 2.391 . 0 0 "[ . ]" 1
459 1 50 VAL H 1 51 ILE H . . 5.100 4.415 4.356 4.463 . 0 0 "[ . ]" 1
460 1 50 VAL HA 1 51 ILE H . . 3.260 2.386 2.231 2.676 . 0 0 "[ . ]" 1
461 1 50 VAL HA 1 51 ILE MG . . 5.500 3.305 3.138 4.058 . 0 0 "[ . ]" 1
462 1 50 VAL HB 1 51 ILE H . . 2.900 2.472 1.939 2.873 . 0 0 "[ . ]" 1
463 1 50 VAL QG 1 51 ILE H . . 3.580 3.153 2.615 3.363 . 0 0 "[ . ]" 1
464 1 50 VAL QG 1 51 ILE MG . . 4.480 3.974 2.940 4.190 . 0 0 "[ . ]" 1
465 1 50 VAL QG 1 52 ILE MG . . 5.440 3.660 2.433 4.166 . 0 0 "[ . ]" 1
466 1 50 VAL QG 1 85 ARG H . . 4.770 3.803 2.940 4.702 . 0 0 "[ . ]" 1
467 1 50 VAL QG 1 93 THR MG . . 3.420 3.144 2.446 3.432 0.012 8 0 "[ . ]" 1
468 1 50 VAL MG1 1 51 ILE H . . 4.180 3.597 3.475 3.777 . 0 0 "[ . ]" 1
469 1 50 VAL MG1 1 93 THR MG . . 4.820 3.224 2.728 3.511 . 0 0 "[ . ]" 1
470 1 50 VAL MG2 1 51 ILE H . . 4.180 3.544 2.686 3.945 . 0 0 "[ . ]" 1
471 1 50 VAL MG2 1 93 THR MG . . 4.820 4.589 2.764 4.856 0.036 1 0 "[ . ]" 1
472 1 51 ILE H 1 51 ILE MD . . 4.730 4.693 4.393 4.748 0.018 7 0 "[ . ]" 1
473 1 51 ILE H 1 51 ILE HG13 . . 4.660 4.637 4.530 4.680 0.020 8 0 "[ . ]" 1
474 1 51 ILE H 1 51 ILE MG . . 3.400 2.147 1.844 2.221 . 0 0 "[ . ]" 1
475 1 51 ILE H 1 52 ILE MG . . 4.560 3.870 3.720 4.483 . 0 0 "[ . ]" 1
476 1 51 ILE H 1 93 THR MG . . 3.650 2.962 2.583 3.212 . 0 0 "[ . ]" 1
477 1 51 ILE H 1 96 LEU MD1 . . 4.410 3.320 2.862 3.844 . 0 0 "[ . ]" 1
478 1 51 ILE HA 1 51 ILE MG . . 3.670 3.168 3.153 3.178 . 0 0 "[ . ]" 1
479 1 51 ILE HA 1 52 ILE H . . 2.960 2.148 2.146 2.150 . 0 0 "[ . ]" 1
480 1 51 ILE HA 1 52 ILE MD . . 3.950 3.513 3.417 3.611 . 0 0 "[ . ]" 1
481 1 51 ILE HA 1 84 SER HA . . 3.520 2.518 2.313 2.643 . 0 0 "[ . ]" 1
482 1 51 ILE HA 1 84 SER HB2 . . 4.330 4.044 3.647 4.359 0.029 9 0 "[ . ]" 1
483 1 51 ILE HA 1 85 ARG H . . 3.960 3.235 2.201 3.746 . 0 0 "[ . ]" 1
484 1 51 ILE HB 1 52 ILE H . . 4.420 4.232 4.192 4.263 . 0 0 "[ . ]" 1
485 1 51 ILE HB 1 90 ILE HA . . 5.350 3.349 2.910 3.862 . 0 0 "[ . ]" 1
486 1 51 ILE MD 1 84 SER HA . . 5.500 4.296 3.852 4.584 . 0 0 "[ . ]" 1
487 1 51 ILE MD 1 91 ILE H . . 4.050 3.317 3.109 3.492 . 0 0 "[ . ]" 1
488 1 51 ILE MD 1 91 ILE HA . . 4.510 3.903 3.701 4.098 . 0 0 "[ . ]" 1
489 1 51 ILE MD 1 92 LEU H . . 3.790 3.394 3.236 3.514 . 0 0 "[ . ]" 1
490 1 51 ILE MD 1 104 PRO HA . . 3.580 3.488 3.146 3.600 0.020 9 0 "[ . ]" 1
491 1 51 ILE MD 1 104 PRO QB . . 3.910 2.551 2.180 2.745 . 0 0 "[ . ]" 1
492 1 51 ILE MD 1 104 PRO HG3 . . 3.680 3.647 3.319 3.729 0.049 4 0 "[ . ]" 1
493 1 51 ILE HG12 1 51 ILE MG . . 3.730 2.352 2.335 2.407 . 0 0 "[ . ]" 1
494 1 51 ILE HG12 1 52 ILE H . . 4.360 3.745 3.682 3.842 . 0 0 "[ . ]" 1
495 1 51 ILE HG12 1 92 LEU H . . 5.500 5.524 5.493 5.555 0.055 9 0 "[ . ]" 1
496 1 51 ILE HG13 1 52 ILE MG . . 5.500 5.281 5.155 5.356 . 0 0 "[ . ]" 1
497 1 51 ILE HG13 1 84 SER H . . 5.500 4.825 4.507 5.089 . 0 0 "[ . ]" 1
498 1 51 ILE MG 1 52 ILE H . . 4.350 4.283 4.257 4.317 . 0 0 "[ . ]" 1
499 1 51 ILE MG 1 52 ILE MG . . 4.450 4.263 4.172 4.309 . 0 0 "[ . ]" 1
500 1 51 ILE MG 1 84 SER HA . . 5.420 4.840 4.426 5.104 . 0 0 "[ . ]" 1
501 1 51 ILE MG 1 91 ILE H . . 3.830 3.344 3.127 3.555 . 0 0 "[ . ]" 1
502 1 51 ILE MG 1 91 ILE HA . . 4.290 4.089 3.935 4.314 0.024 9 0 "[ . ]" 1
503 1 51 ILE MG 1 91 ILE QG . . 4.030 3.665 3.560 3.776 . 0 0 "[ . ]" 1
504 1 51 ILE MG 1 92 LEU H . . 3.600 3.335 3.139 3.587 . 0 0 "[ . ]" 1
505 1 51 ILE MG 1 92 LEU HA . . 3.740 1.880 1.856 1.918 . 0 0 "[ . ]" 1
506 1 51 ILE MG 1 93 THR H . . 3.460 3.181 2.936 3.340 . 0 0 "[ . ]" 1
507 1 51 ILE MG 1 93 THR HB . . 4.550 4.175 3.916 4.503 . 0 0 "[ . ]" 1
508 1 51 ILE MG 1 93 THR MG . . 3.250 2.256 1.846 2.555 . 0 0 "[ . ]" 1
509 1 52 ILE H 1 52 ILE HB . . 3.750 3.669 3.642 3.690 . 0 0 "[ . ]" 1
510 1 52 ILE H 1 52 ILE MD . . 3.550 1.916 1.901 1.982 . 0 0 "[ . ]" 1
511 1 52 ILE H 1 52 ILE HG12 . . 3.790 3.679 3.663 3.693 . 0 0 "[ . ]" 1
512 1 52 ILE H 1 52 ILE MG . . 3.510 3.396 3.361 3.448 . 0 0 "[ . ]" 1
513 1 52 ILE H 1 53 ASP H . . 4.930 4.460 4.457 4.464 . 0 0 "[ . ]" 1
514 1 52 ILE H 1 83 THR HB . . 4.690 4.388 4.084 4.686 . 0 0 "[ . ]" 1
515 1 52 ILE H 1 84 SER H . . 5.500 5.388 5.297 5.500 . 6 0 "[ . ]" 1
516 1 52 ILE H 1 84 SER HA . . 3.780 3.320 3.062 3.561 . 0 0 "[ . ]" 1
517 1 52 ILE H 1 85 ARG H . . 4.840 4.400 3.835 4.888 0.048 2 0 "[ . ]" 1
518 1 52 ILE HA 1 52 ILE MD . . 4.250 3.506 3.504 3.516 . 0 0 "[ . ]" 1
519 1 52 ILE HA 1 53 ASP H . . 3.000 2.377 2.372 2.382 . 0 0 "[ . ]" 1
520 1 52 ILE HA 1 101 VAL HA . . 5.300 5.325 5.306 5.346 0.046 2 0 "[ . ]" 1
521 1 52 ILE HA 1 101 VAL MG1 . . 3.440 2.332 2.197 2.479 . 0 0 "[ . ]" 1
522 1 52 ILE HA 1 101 VAL MG2 . . 4.870 3.657 3.422 3.903 . 0 0 "[ . ]" 1
523 1 52 ILE HA 1 102 ILE H . . 5.500 5.314 5.239 5.368 . 0 0 "[ . ]" 1
524 1 52 ILE HB 1 56 TRP HA . . 5.500 5.499 5.341 5.546 0.046 2 0 "[ . ]" 1
525 1 52 ILE HB 1 57 TYR H . . 4.830 4.458 4.181 4.592 . 0 0 "[ . ]" 1
526 1 52 ILE HB 1 57 TYR HA . . 5.210 5.012 4.561 5.210 0.000 7 0 "[ . ]" 1
527 1 52 ILE HB 1 83 THR HB . . 5.500 5.542 5.512 5.597 0.097 3 0 "[ . ]" 1
528 1 52 ILE MD 1 52 ILE MG . . 3.560 3.253 3.251 3.255 . 0 0 "[ . ]" 1
529 1 52 ILE MD 1 56 TRP H . . 4.590 3.759 3.478 4.024 . 0 0 "[ . ]" 1
530 1 52 ILE MD 1 57 TYR H . . 3.810 2.851 2.685 3.027 . 0 0 "[ . ]" 1
531 1 52 ILE MD 1 57 TYR HA . . 4.550 2.055 1.950 2.243 . 0 0 "[ . ]" 1
532 1 52 ILE MD 1 57 TYR HB2 . . 4.740 2.447 2.021 2.687 . 0 0 "[ . ]" 1
533 1 52 ILE MD 1 57 TYR HB3 . . 4.800 3.676 3.328 3.912 . 0 0 "[ . ]" 1
534 1 52 ILE MD 1 60 VAL MG1 . . 3.870 3.297 3.075 3.766 . 0 0 "[ . ]" 1
535 1 52 ILE MD 1 60 VAL MG2 . . 4.040 2.329 2.124 2.572 . 0 0 "[ . ]" 1
536 1 52 ILE MD 1 61 GLU H . . 5.500 5.333 5.165 5.478 . 0 0 "[ . ]" 1
537 1 52 ILE MD 1 84 SER HA . . 4.760 3.654 3.171 4.244 . 0 0 "[ . ]" 1
538 1 52 ILE MD 1 85 ARG H . . 5.250 4.314 3.799 4.659 . 0 0 "[ . ]" 1
539 1 52 ILE MD 1 85 ARG HA . . 5.500 5.433 4.978 5.552 0.052 8 0 "[ . ]" 1
540 1 52 ILE MD 1 101 VAL HB . . 5.500 5.496 5.406 5.542 0.042 8 0 "[ . ]" 1
541 1 52 ILE HG12 1 57 TYR H . . 5.500 4.797 4.669 4.944 . 0 0 "[ . ]" 1
542 1 52 ILE HG12 1 57 TYR HA . . 4.220 3.929 3.469 4.224 0.004 3 0 "[ . ]" 1
543 1 52 ILE HG12 1 60 VAL HB . . 5.040 4.904 4.378 5.041 0.001 4 0 "[ . ]" 1
544 1 52 ILE MG 1 53 ASP H . . 3.240 3.182 3.076 3.238 . 0 0 "[ . ]" 1
545 1 52 ILE MG 1 56 TRP HB2 . . 4.310 3.833 3.695 4.220 . 0 0 "[ . ]" 1
546 1 52 ILE MG 1 101 VAL MG1 . . 3.500 2.641 2.480 2.821 . 0 0 "[ . ]" 1
547 1 53 ASP H 1 54 PRO QD . . 5.010 4.326 4.321 4.334 . 0 0 "[ . ]" 1
548 1 53 ASP H 1 56 TRP HB2 . . 4.140 3.911 3.553 4.139 . 0 0 "[ . ]" 1
549 1 53 ASP H 1 56 TRP HB3 . . 5.500 5.235 4.291 5.491 . 0 0 "[ . ]" 1
550 1 53 ASP H 1 57 TYR H . . 5.500 5.388 5.109 5.502 0.002 7 0 "[ . ]" 1
551 1 53 ASP H 1 101 VAL HA . . 3.650 3.563 3.523 3.623 . 0 0 "[ . ]" 1
552 1 53 ASP H 1 101 VAL MG1 . . 3.500 2.064 1.900 2.267 . 0 0 "[ . ]" 1
553 1 53 ASP H 1 101 VAL MG2 . . 4.970 3.895 3.745 4.054 . 0 0 "[ . ]" 1
554 1 53 ASP H 1 102 ILE H . . 4.350 3.790 3.737 3.809 . 0 0 "[ . ]" 1
555 1 53 ASP H 1 102 ILE HB . . 5.500 5.535 5.498 5.571 0.071 7 0 "[ . ]" 1
556 1 54 PRO HA 1 56 TRP H . . 5.230 4.034 3.876 4.227 . 0 0 "[ . ]" 1
557 1 54 PRO HA 1 57 TYR H . . 3.770 3.219 3.086 3.376 . 0 0 "[ . ]" 1
558 1 54 PRO HA 1 57 TYR HB2 . . 4.430 2.823 2.690 3.113 . 0 0 "[ . ]" 1
559 1 54 PRO HA 1 57 TYR HB3 . . 4.520 2.525 2.344 2.977 . 0 0 "[ . ]" 1
560 1 54 PRO HA 1 82 ASP QB . . 5.340 4.987 4.778 5.339 . 0 0 "[ . ]" 1
561 1 54 PRO HA 1 83 THR HB . . 4.520 3.177 2.896 3.381 . 0 0 "[ . ]" 1
562 1 54 PRO HA 1 83 THR MG . . 3.260 2.829 2.108 3.154 . 0 0 "[ . ]" 1
563 1 54 PRO QB 1 55 SER H . . 3.740 3.526 3.466 3.594 . 0 0 "[ . ]" 1
564 1 54 PRO QB 1 57 TYR H . . 5.340 4.774 4.660 4.876 . 0 0 "[ . ]" 1
565 1 54 PRO QB 1 83 THR MG . . 3.540 1.898 1.865 1.952 . 0 0 "[ . ]" 1
566 1 54 PRO HB2 1 83 THR MG . . 4.070 3.411 3.235 3.565 . 0 0 "[ . ]" 1
567 1 54 PRO HB3 1 83 THR MG . . 4.070 1.907 1.875 1.961 . 0 0 "[ . ]" 1
568 1 54 PRO QD 1 83 THR HB . . 4.040 2.886 2.574 3.604 . 0 0 "[ . ]" 1
569 1 54 PRO QG 1 83 THR MG . . 4.410 2.719 2.568 3.181 . 0 0 "[ . ]" 1
570 1 55 SER H 1 55 SER QB . . 3.180 2.329 2.155 2.644 . 0 0 "[ . ]" 1
571 1 55 SER H 1 56 TRP H . . 3.650 2.393 2.312 2.455 . 0 0 "[ . ]" 1
572 1 55 SER H 1 56 TRP HA . . 5.500 5.077 5.003 5.130 . 0 0 "[ . ]" 1
573 1 55 SER H 1 57 TYR H . . 4.180 3.690 3.606 3.736 . 0 0 "[ . ]" 1
574 1 55 SER H 1 57 TYR HB2 . . 5.500 5.275 5.119 5.424 . 0 0 "[ . ]" 1
575 1 55 SER H 1 83 THR HB . . 5.410 5.194 4.872 5.425 0.015 9 0 "[ . ]" 1
576 1 55 SER QB 1 56 TRP H . . 3.900 2.897 2.710 3.094 . 0 0 "[ . ]" 1
577 1 56 TRP H 1 56 TRP HB2 . . 3.220 2.327 2.203 2.400 . 0 0 "[ . ]" 1
578 1 56 TRP H 1 56 TRP HB3 . . 3.730 3.494 3.076 3.635 . 0 0 "[ . ]" 1
579 1 56 TRP H 1 57 TYR H . . 2.960 2.135 2.015 2.237 . 0 0 "[ . ]" 1
580 1 56 TRP H 1 57 TYR HB2 . . 4.560 4.487 4.333 4.566 0.006 3 0 "[ . ]" 1
581 1 56 TRP HA 1 59 ILE H . . 4.380 3.175 3.107 3.205 . 0 0 "[ . ]" 1
582 1 56 TRP HA 1 59 ILE HB . . 4.190 2.799 2.548 2.999 . 0 0 "[ . ]" 1
583 1 56 TRP HA 1 59 ILE MD . . 4.210 2.554 1.954 4.212 0.002 3 0 "[ . ]" 1
584 1 56 TRP HA 1 59 ILE MG . . 4.380 4.115 3.916 4.302 . 0 0 "[ . ]" 1
585 1 56 TRP HA 1 60 VAL H . . 5.500 4.148 3.970 4.305 . 0 0 "[ . ]" 1
586 1 56 TRP HA 1 60 VAL MG1 . . 4.810 4.403 4.179 4.649 . 0 0 "[ . ]" 1
587 1 56 TRP HB3 1 57 TYR H . . 4.210 3.700 3.169 3.873 . 0 0 "[ . ]" 1
588 1 56 TRP HB3 1 59 ILE HB . . 5.500 3.734 3.528 4.411 . 0 0 "[ . ]" 1
589 1 56 TRP HB3 1 60 VAL H . . 5.500 4.121 3.937 4.587 . 0 0 "[ . ]" 1
590 1 56 TRP HB3 1 60 VAL MG1 . . 4.600 2.953 2.716 3.495 . 0 0 "[ . ]" 1
591 1 57 TYR H 1 57 TYR HB2 . . 3.110 2.606 2.564 2.661 . 0 0 "[ . ]" 1
592 1 57 TYR H 1 57 TYR HB3 . . 3.090 2.458 2.405 2.499 . 0 0 "[ . ]" 1
593 1 57 TYR H 1 58 ASP H . . 3.910 2.843 2.754 2.903 . 0 0 "[ . ]" 1
594 1 57 TYR H 1 59 ILE HB . . 5.320 5.153 5.032 5.308 . 0 0 "[ . ]" 1
595 1 57 TYR HA 1 60 VAL H . . 4.460 3.549 3.492 3.666 . 0 0 "[ . ]" 1
596 1 57 TYR HA 1 60 VAL MG1 . . 3.830 3.631 3.594 3.671 . 0 0 "[ . ]" 1
597 1 57 TYR HA 1 60 VAL MG2 . . 4.530 1.935 1.907 2.073 . 0 0 "[ . ]" 1
598 1 57 TYR HB2 1 60 VAL MG1 . . 5.500 5.506 5.493 5.524 0.024 8 0 "[ . ]" 1
599 1 57 TYR HB2 1 83 THR HB . . 4.510 3.890 3.523 4.160 . 0 0 "[ . ]" 1
600 1 57 TYR HB2 1 83 THR MG . . 4.550 4.304 3.443 4.607 0.057 2 0 "[ . ]" 1
601 1 57 TYR HB3 1 58 ASP H . . 3.680 2.540 2.398 2.780 . 0 0 "[ . ]" 1
602 1 57 TYR HB3 1 58 ASP HB2 . . 4.620 4.308 4.069 4.525 . 0 0 "[ . ]" 1
603 1 57 TYR HB3 1 83 THR HB . . 4.910 4.881 4.793 4.922 0.012 4 0 "[ . ]" 1
604 1 57 TYR HB3 1 83 THR MG . . 4.950 4.546 3.866 4.900 . 0 0 "[ . ]" 1
605 1 58 ASP H 1 58 ASP HB3 . . 3.140 2.545 2.318 2.852 . 0 0 "[ . ]" 1
606 1 58 ASP H 1 59 ILE H . . 3.480 2.609 2.534 2.648 . 0 0 "[ . ]" 1
607 1 58 ASP H 1 59 ILE HA . . 5.490 5.223 5.159 5.256 . 0 0 "[ . ]" 1
608 1 58 ASP H 1 59 ILE QG . . 4.420 4.063 3.983 4.133 . 0 0 "[ . ]" 1
609 1 58 ASP H 1 60 VAL H . . 4.830 4.459 4.381 4.513 . 0 0 "[ . ]" 1
610 1 58 ASP HA 1 59 ILE HA . . 4.770 4.717 4.702 4.742 . 0 0 "[ . ]" 1
611 1 58 ASP HA 1 60 VAL H . . 4.860 4.827 4.746 4.863 0.003 9 0 "[ . ]" 1
612 1 58 ASP HA 1 61 GLU H . . 4.030 3.649 3.566 3.690 . 0 0 "[ . ]" 1
613 1 58 ASP HA 1 62 GLN H . . 4.370 4.282 4.207 4.377 0.007 8 0 "[ . ]" 1
614 1 58 ASP HB2 1 62 GLN HE21 . . 5.500 5.128 4.897 5.343 . 0 0 "[ . ]" 1
615 1 58 ASP HB3 1 59 ILE H . . 3.340 2.970 2.888 3.039 . 0 0 "[ . ]" 1
616 1 58 ASP HB3 1 62 GLN HE21 . . 5.270 4.085 3.683 4.404 . 0 0 "[ . ]" 1
617 1 59 ILE H 1 59 ILE HB . . 3.140 2.494 2.482 2.502 . 0 0 "[ . ]" 1
618 1 59 ILE H 1 59 ILE MD . . 4.110 3.449 3.286 3.574 . 0 0 "[ . ]" 1
619 1 59 ILE H 1 59 ILE QG . . 3.070 2.256 2.193 2.303 . 0 0 "[ . ]" 1
620 1 59 ILE H 1 59 ILE MG . . 3.900 3.770 3.764 3.773 . 0 0 "[ . ]" 1
621 1 59 ILE H 1 60 VAL H . . 3.210 2.569 2.528 2.620 . 0 0 "[ . ]" 1
622 1 59 ILE H 1 60 VAL MG1 . . 5.210 4.375 4.327 4.418 . 0 0 "[ . ]" 1
623 1 59 ILE HA 1 59 ILE MD . . 4.460 3.450 1.959 3.877 . 0 0 "[ . ]" 1
624 1 59 ILE HA 1 59 ILE QG . . 3.730 2.547 2.420 2.942 . 0 0 "[ . ]" 1
625 1 59 ILE HA 1 59 ILE MG . . 3.360 2.362 2.350 2.384 . 0 0 "[ . ]" 1
626 1 59 ILE HA 1 62 GLN H . . 3.550 3.490 3.460 3.528 . 0 0 "[ . ]" 1
627 1 59 ILE HA 1 62 GLN HB3 . . 4.160 4.132 4.102 4.161 0.001 3 0 "[ . ]" 1
628 1 59 ILE HA 1 62 GLN HE21 . . 4.400 2.371 2.312 2.465 . 0 0 "[ . ]" 1
629 1 59 ILE HA 1 62 GLN HE22 . . 5.200 3.568 3.540 3.597 . 0 0 "[ . ]" 1
630 1 59 ILE HA 1 62 GLN QG . . 3.840 1.994 1.979 2.038 . 0 0 "[ . ]" 1
631 1 59 ILE HB 1 60 VAL H . . 3.910 2.385 2.362 2.420 . 0 0 "[ . ]" 1
632 1 59 ILE HB 1 60 VAL MG1 . . 5.500 3.279 3.239 3.341 . 0 0 "[ . ]" 1
633 1 59 ILE MD 1 59 ILE MG . . 3.200 2.119 2.028 2.179 . 0 0 "[ . ]" 1
634 1 59 ILE QG 1 59 ILE MG . . 3.120 2.274 2.246 2.307 . 0 0 "[ . ]" 1
635 1 59 ILE QG 1 60 VAL H . . 5.080 3.958 3.895 3.995 . 0 0 "[ . ]" 1
636 1 59 ILE MG 1 60 VAL H . . 4.610 3.224 3.216 3.241 . 0 0 "[ . ]" 1
637 1 59 ILE MG 1 60 VAL HA . . 4.750 3.321 3.296 3.335 . 0 0 "[ . ]" 1
638 1 59 ILE MG 1 60 VAL MG2 . . 4.430 4.445 4.438 4.461 0.031 4 0 "[ . ]" 1
639 1 59 ILE MG 1 62 GLN H . . 4.760 4.577 4.543 4.628 . 0 0 "[ . ]" 1
640 1 59 ILE MG 1 62 GLN HE21 . . 4.230 4.083 3.965 4.211 . 0 0 "[ . ]" 1
641 1 59 ILE MG 1 63 HIS H . . 4.460 4.044 3.992 4.107 . 0 0 "[ . ]" 1
642 1 59 ILE MG 1 63 HIS QB . . 5.130 2.989 2.875 3.241 . 0 0 "[ . ]" 1
643 1 60 VAL H 1 60 VAL HB . . 3.650 3.613 3.608 3.616 . 0 0 "[ . ]" 1
644 1 60 VAL H 1 60 VAL MG1 . . 2.870 2.455 2.430 2.507 . 0 0 "[ . ]" 1
645 1 60 VAL H 1 60 VAL MG2 . . 3.460 1.954 1.923 2.141 . 0 0 "[ . ]" 1
646 1 60 VAL H 1 61 GLU H . . 3.290 2.579 2.559 2.592 . 0 0 "[ . ]" 1
647 1 60 VAL H 1 61 GLU HA . . 5.500 5.186 5.170 5.199 . 0 0 "[ . ]" 1
648 1 60 VAL HA 1 60 VAL MG1 . . 3.450 2.236 2.213 2.252 . 0 0 "[ . ]" 1
649 1 60 VAL HA 1 60 VAL MG2 . . 3.370 3.200 3.192 3.202 . 0 0 "[ . ]" 1
650 1 60 VAL HA 1 62 GLN H . . 5.000 4.216 4.185 4.238 . 0 0 "[ . ]" 1
651 1 60 VAL HA 1 63 HIS H . . 3.690 3.338 3.302 3.383 . 0 0 "[ . ]" 1
652 1 60 VAL HB 1 61 GLU H . . 4.080 3.938 3.918 3.969 . 0 0 "[ . ]" 1
653 1 60 VAL MG1 1 61 GLU H . . 4.400 4.066 4.046 4.119 . 0 0 "[ . ]" 1
654 1 60 VAL MG1 1 62 GLN H . . 5.500 5.396 5.374 5.435 . 0 0 "[ . ]" 1
655 1 60 VAL MG2 1 61 GLU H . . 3.540 2.362 2.205 2.388 . 0 0 "[ . ]" 1
656 1 60 VAL MG2 1 61 GLU HA . . 4.130 3.380 3.352 3.487 . 0 0 "[ . ]" 1
657 1 60 VAL MG2 1 61 GLU HB3 . . 3.860 3.863 3.857 3.868 0.008 3 0 "[ . ]" 1
658 1 60 VAL MG2 1 62 GLN H . . 4.440 4.369 4.335 4.383 . 0 0 "[ . ]" 1
659 1 60 VAL MG2 1 63 HIS H . . 5.120 4.963 4.942 5.002 . 0 0 "[ . ]" 1
660 1 61 GLU H 1 61 GLU HB2 . . 3.020 2.768 2.718 2.795 . 0 0 "[ . ]" 1
661 1 61 GLU H 1 61 GLU HB3 . . 3.130 2.363 2.352 2.422 . 0 0 "[ . ]" 1
662 1 61 GLU H 1 62 GLN H . . 3.320 2.430 2.396 2.445 . 0 0 "[ . ]" 1
663 1 61 GLU H 1 62 GLN HE21 . . 5.280 5.258 5.194 5.282 0.002 6 0 "[ . ]" 1
664 1 61 GLU H 1 63 HIS H . . 4.520 3.751 3.727 3.763 . 0 0 "[ . ]" 1
665 1 61 GLU HA 1 61 GLU QG . . 3.320 2.644 2.503 3.069 . 0 0 "[ . ]" 1
666 1 61 GLU HA 1 63 HIS H . . 5.190 4.357 4.311 4.411 . 0 0 "[ . ]" 1
667 1 61 GLU HA 1 64 ASN H . . 3.910 3.825 3.748 3.921 0.011 8 0 "[ . ]" 1
668 1 61 GLU HB3 1 62 GLN H . . 3.820 2.854 2.824 2.887 . 0 0 "[ . ]" 1
669 1 61 GLU HB3 1 62 GLN HB3 . . 4.180 4.178 4.162 4.183 0.003 1 0 "[ . ]" 1
670 1 61 GLU QG 1 64 ASN H . . 5.340 5.144 4.929 5.341 0.001 3 0 "[ . ]" 1
671 1 62 GLN H 1 62 GLN HB3 . . 3.160 2.666 2.646 2.685 . 0 0 "[ . ]" 1
672 1 62 GLN H 1 62 GLN HG2 . . 3.590 2.200 2.165 2.212 . 0 0 "[ . ]" 1
673 1 62 GLN H 1 62 GLN QG . . 2.720 2.160 2.123 2.175 . 0 0 "[ . ]" 1
674 1 62 GLN H 1 62 GLN HG3 . . 3.590 3.154 3.061 3.208 . 0 0 "[ . ]" 1
675 1 62 GLN H 1 63 HIS H . . 2.850 2.261 2.240 2.293 . 0 0 "[ . ]" 1
676 1 62 GLN H 1 63 HIS QB . . 5.340 4.086 4.039 4.230 . 0 0 "[ . ]" 1
677 1 62 GLN H 1 64 ASN H . . 3.800 3.804 3.796 3.809 0.009 8 0 "[ . ]" 1
678 1 62 GLN H 1 64 ASN HB2 . . 5.500 5.450 5.153 5.507 0.007 8 0 "[ . ]" 1
679 1 62 GLN HA 1 62 GLN HG2 . . 3.980 3.826 3.822 3.830 . 0 0 "[ . ]" 1
680 1 62 GLN HA 1 62 GLN HG3 . . 3.980 3.672 3.670 3.677 . 0 0 "[ . ]" 1
681 1 62 GLN HA 1 63 HIS HA . . 5.260 4.696 4.626 4.736 . 0 0 "[ . ]" 1
682 1 62 GLN HA 1 64 ASN H . . 4.190 3.880 3.571 4.067 . 0 0 "[ . ]" 1
683 1 62 GLN HB2 1 62 GLN HE22 . . 4.300 4.281 4.254 4.300 . 0 0 "[ . ]" 1
684 1 62 GLN HB3 1 62 GLN HE21 . . 4.690 2.922 2.810 2.981 . 0 0 "[ . ]" 1
685 1 62 GLN HB3 1 62 GLN HE22 . . 4.630 3.958 3.896 4.002 . 0 0 "[ . ]" 1
686 1 62 GLN HB3 1 63 HIS H . . 4.020 4.010 3.984 4.025 0.005 5 0 "[ . ]" 1
687 1 62 GLN QG 1 63 HIS H . . 3.480 2.384 2.301 2.439 . 0 0 "[ . ]" 1
688 1 63 HIS H 1 63 HIS QB . . 3.480 2.278 2.159 2.353 . 0 0 "[ . ]" 1
689 1 63 HIS H 1 64 ASN H . . 2.810 2.448 2.389 2.534 . 0 0 "[ . ]" 1
690 1 63 HIS QB 1 64 ASN H . . 4.100 3.116 2.912 3.535 . 0 0 "[ . ]" 1
691 1 63 HIS QB 1 64 ASN HB2 . . 4.460 4.005 3.759 4.459 . 0 0 "[ . ]" 1
692 1 64 ASN H 1 64 ASN HB2 . . 3.180 2.565 2.294 2.958 . 0 0 "[ . ]" 1
693 1 64 ASN H 1 64 ASN HB3 . . 3.580 3.405 2.959 3.583 0.003 3 0 "[ . ]" 1
694 1 64 ASN H 1 65 GLU H . . 4.380 4.358 4.288 4.380 0.000 8 0 "[ . ]" 1
695 1 64 ASN HA 1 65 GLU H . . 2.760 2.178 2.141 2.264 . 0 0 "[ . ]" 1
696 1 64 ASN HB2 1 65 GLU H . . 4.510 4.363 4.191 4.487 . 0 0 "[ . ]" 1
697 1 64 ASN HB3 1 65 GLU H . . 4.020 3.517 3.354 3.814 . 0 0 "[ . ]" 1
698 1 65 GLU H 1 65 GLU HB3 . . 2.930 2.635 2.410 2.932 0.002 9 0 "[ . ]" 1
699 1 65 GLU H 1 65 GLU QG . . 3.430 2.153 1.989 2.324 . 0 0 "[ . ]" 1
700 1 65 GLU H 1 66 ILE H . . 4.870 4.589 4.493 4.643 . 0 0 "[ . ]" 1
701 1 65 GLU H 1 66 ILE MG . . 5.410 5.092 4.752 5.411 0.001 2 0 "[ . ]" 1
702 1 65 GLU HA 1 65 GLU QG . . 3.480 3.338 3.329 3.360 . 0 0 "[ . ]" 1
703 1 65 GLU HA 1 66 ILE H . . 2.680 2.281 2.209 2.358 . 0 0 "[ . ]" 1
704 1 65 GLU HA 1 66 ILE QG . . 4.220 3.393 3.150 3.551 . 0 0 "[ . ]" 1
705 1 65 GLU HA 1 66 ILE MG . . 4.910 4.043 3.847 4.345 . 0 0 "[ . ]" 1
706 1 65 GLU HB3 1 66 ILE H . . 4.140 4.000 3.800 4.133 . 0 0 "[ . ]" 1
707 1 65 GLU QG 1 66 ILE H . . 3.810 3.701 3.557 3.807 . 0 0 "[ . ]" 1
708 1 65 GLU QG 1 66 ILE MG . . 5.340 4.768 4.614 4.904 . 0 0 "[ . ]" 1
709 1 66 ILE H 1 66 ILE HB . . 3.710 3.666 3.604 3.714 0.004 5 0 "[ . ]" 1
710 1 66 ILE H 1 66 ILE MD . . 3.810 3.096 1.904 3.740 . 0 0 "[ . ]" 1
711 1 66 ILE H 1 66 ILE QG . . 3.120 2.009 1.920 2.111 . 0 0 "[ . ]" 1
712 1 66 ILE H 1 66 ILE MG . . 3.660 3.202 3.027 3.468 . 0 0 "[ . ]" 1
713 1 66 ILE H 1 67 SER H . . 4.800 4.418 4.375 4.436 . 0 0 "[ . ]" 1
714 1 66 ILE HA 1 66 ILE QG . . 3.710 3.300 3.292 3.312 . 0 0 "[ . ]" 1
715 1 66 ILE HA 1 66 ILE MG . . 3.430 2.080 1.971 2.130 . 0 0 "[ . ]" 1
716 1 66 ILE HA 1 67 SER H . . 2.970 2.177 2.156 2.210 . 0 0 "[ . ]" 1
717 1 66 ILE HB 1 67 SER H . . 4.680 3.145 3.045 3.224 . 0 0 "[ . ]" 1
718 1 66 ILE MD 1 67 SER H . . 5.100 4.701 4.049 5.080 . 0 0 "[ . ]" 1
719 1 66 ILE MD 1 71 ASN HA . . 4.340 2.817 2.040 4.293 . 0 0 "[ . ]" 1
720 1 66 ILE QG 1 67 SER H . . 5.170 4.376 4.208 4.669 . 0 0 "[ . ]" 1
721 1 66 ILE MG 1 67 SER H . . 3.780 3.634 3.353 3.781 0.001 3 0 "[ . ]" 1
722 1 66 ILE MG 1 70 GLU H . . 5.400 5.150 4.936 5.318 . 0 0 "[ . ]" 1
723 1 66 ILE MG 1 71 ASN H . . 3.810 3.684 3.525 3.769 . 0 0 "[ . ]" 1
724 1 66 ILE MG 1 71 ASN HA . . 3.490 3.158 3.047 3.323 . 0 0 "[ . ]" 1
725 1 66 ILE MG 1 72 ASP H . . 5.500 5.490 5.421 5.508 0.008 9 0 "[ . ]" 1
726 1 67 SER H 1 68 ASP H . . 5.200 4.503 4.435 4.598 . 0 0 "[ . ]" 1
727 1 67 SER H 1 69 GLU H . . 4.930 4.716 4.440 4.925 . 0 0 "[ . ]" 1
728 1 67 SER H 1 70 GLU H . . 4.130 3.309 3.050 3.654 . 0 0 "[ . ]" 1
729 1 67 SER H 1 70 GLU HB2 . . 4.290 2.366 2.147 3.027 . 0 0 "[ . ]" 1
730 1 67 SER H 1 70 GLU QB . . 3.550 1.989 1.880 2.223 . 0 0 "[ . ]" 1
731 1 67 SER H 1 70 GLU HB3 . . 4.290 2.155 2.027 2.326 . 0 0 "[ . ]" 1
732 1 67 SER H 1 71 ASN H . . 4.760 3.418 3.330 3.547 . 0 0 "[ . ]" 1
733 1 67 SER HA 1 68 ASP H . . 3.010 2.597 2.383 2.695 . 0 0 "[ . ]" 1
734 1 67 SER HA 1 69 GLU H . . 4.500 4.431 4.214 4.501 0.001 5 0 "[ . ]" 1
735 1 67 SER QB 1 68 ASP H . . 3.310 2.137 1.968 2.506 . 0 0 "[ . ]" 1
736 1 67 SER QB 1 69 GLU H . . 3.340 2.582 2.329 2.679 . 0 0 "[ . ]" 1
737 1 67 SER QB 1 69 GLU HB3 . . 5.210 4.383 4.223 4.508 . 0 0 "[ . ]" 1
738 1 67 SER QB 1 70 GLU H . . 4.170 2.532 2.235 2.831 . 0 0 "[ . ]" 1
739 1 67 SER HB2 1 68 ASP H . . 3.920 3.245 2.914 3.658 . 0 0 "[ . ]" 1
740 1 67 SER HB2 1 69 GLU H . . 4.030 3.035 2.707 4.029 . 0 0 "[ . ]" 1
741 1 67 SER HB3 1 68 ASP H . . 3.920 2.171 2.001 2.578 . 0 0 "[ . ]" 1
742 1 67 SER HB3 1 69 GLU H . . 4.030 3.005 2.344 3.320 . 0 0 "[ . ]" 1
743 1 68 ASP H 1 68 ASP HB2 . . 3.590 2.718 2.260 3.573 . 0 0 "[ . ]" 1
744 1 68 ASP H 1 68 ASP QB . . 3.140 2.388 2.218 2.658 . 0 0 "[ . ]" 1
745 1 68 ASP H 1 68 ASP HB3 . . 3.590 3.118 2.349 3.589 . 0 0 "[ . ]" 1
746 1 68 ASP H 1 70 GLU H . . 4.470 4.102 4.009 4.176 . 0 0 "[ . ]" 1
747 1 68 ASP H 1 71 ASN H . . 5.000 4.890 4.827 4.948 . 0 0 "[ . ]" 1
748 1 68 ASP QB 1 69 GLU H . . 3.410 2.890 2.670 3.410 0.000 4 0 "[ . ]" 1
749 1 68 ASP QB 1 70 GLU H . . 5.340 4.840 4.646 5.107 . 0 0 "[ . ]" 1
750 1 69 GLU H 1 69 GLU HB2 . . 3.840 3.623 3.620 3.627 . 0 0 "[ . ]" 1
751 1 69 GLU H 1 69 GLU HB3 . . 3.190 2.677 2.592 2.716 . 0 0 "[ . ]" 1
752 1 69 GLU H 1 69 GLU HG2 . . 3.430 2.014 1.950 2.177 . 0 0 "[ . ]" 1
753 1 69 GLU H 1 69 GLU QG . . 2.920 1.994 1.933 2.148 . 0 0 "[ . ]" 1
754 1 69 GLU H 1 69 GLU HG3 . . 3.430 3.233 3.156 3.386 . 0 0 "[ . ]" 1
755 1 69 GLU H 1 70 GLU H . . 3.300 2.397 2.374 2.416 . 0 0 "[ . ]" 1
756 1 69 GLU H 1 71 ASN H . . 4.380 4.324 4.245 4.372 . 0 0 "[ . ]" 1
757 1 69 GLU H 1 72 ASP H . . 4.900 4.633 4.552 4.700 . 0 0 "[ . ]" 1
758 1 69 GLU HA 1 69 GLU QG . . 3.610 3.338 3.334 3.340 . 0 0 "[ . ]" 1
759 1 69 GLU HA 1 72 ASP H . . 3.700 3.659 3.586 3.700 . 0 0 "[ . ]" 1
760 1 69 GLU HA 1 72 ASP HB2 . . 4.530 3.596 3.339 3.956 . 0 0 "[ . ]" 1
761 1 69 GLU HA 1 72 ASP QB . . 3.890 2.537 2.465 2.655 . 0 0 "[ . ]" 1
762 1 69 GLU HA 1 72 ASP HB3 . . 4.530 2.598 2.508 2.761 . 0 0 "[ . ]" 1
763 1 69 GLU HB2 1 72 ASP H . . 5.500 5.417 5.366 5.465 . 0 0 "[ . ]" 1
764 1 69 GLU HB3 1 70 GLU H . . 3.950 3.935 3.926 3.952 0.002 5 0 "[ . ]" 1
765 1 69 GLU QG 1 70 GLU H . . 4.090 2.146 2.086 2.252 . 0 0 "[ . ]" 1
766 1 69 GLU HG2 1 70 GLU H . . 4.660 2.471 2.217 2.622 . 0 0 "[ . ]" 1
767 1 69 GLU HG3 1 70 GLU H . . 4.660 2.375 2.244 2.571 . 0 0 "[ . ]" 1
768 1 70 GLU H 1 70 GLU HB2 . . 3.480 2.271 2.214 2.434 . 0 0 "[ . ]" 1
769 1 70 GLU H 1 70 GLU QB . . 2.950 2.179 2.147 2.246 . 0 0 "[ . ]" 1
770 1 70 GLU H 1 70 GLU HB3 . . 3.480 2.830 2.637 2.897 . 0 0 "[ . ]" 1
771 1 70 GLU H 1 71 ASN QB . . 5.340 4.456 4.370 4.507 . 0 0 "[ . ]" 1
772 1 70 GLU H 1 72 ASP H . . 5.260 3.765 3.728 3.817 . 0 0 "[ . ]" 1
773 1 70 GLU H 1 72 ASP QB . . 5.340 4.544 4.359 4.681 . 0 0 "[ . ]" 1
774 1 70 GLU QB 1 71 ASN H . . 3.750 2.172 2.142 2.312 . 0 0 "[ . ]" 1
775 1 70 GLU QB 1 72 ASP H . . 5.340 4.264 4.232 4.350 . 0 0 "[ . ]" 1
776 1 70 GLU HB2 1 71 ASN H . . 4.340 3.408 3.336 3.568 . 0 0 "[ . ]" 1
777 1 70 GLU HB3 1 71 ASN H . . 4.340 2.198 2.165 2.350 . 0 0 "[ . ]" 1
778 1 70 GLU QG 1 71 ASN H . . 3.930 3.735 3.480 3.904 . 0 0 "[ . ]" 1
779 1 70 GLU QG 1 71 ASN HA . . 4.300 4.148 3.788 4.294 . 0 0 "[ . ]" 1
780 1 71 ASN H 1 71 ASN QB . . 2.940 2.241 2.215 2.254 . 0 0 "[ . ]" 1
781 1 71 ASN H 1 72 ASP H . . 3.410 2.693 2.646 2.709 . 0 0 "[ . ]" 1
782 1 71 ASN HA 1 72 ASP HA . . 4.810 4.722 4.687 4.801 . 0 0 "[ . ]" 1
783 1 71 ASN HA 1 74 LEU H . . 4.640 3.765 3.525 4.015 . 0 0 "[ . ]" 1
784 1 71 ASN QB 1 72 ASP H . . 3.210 2.919 2.864 2.954 . 0 0 "[ . ]" 1
785 1 72 ASP H 1 72 ASP HB2 . . 3.190 2.732 2.548 2.923 . 0 0 "[ . ]" 1
786 1 72 ASP H 1 72 ASP QB . . 2.640 2.252 2.193 2.300 . 0 0 "[ . ]" 1
787 1 72 ASP H 1 72 ASP HB3 . . 3.190 2.416 2.289 2.593 . 0 0 "[ . ]" 1
788 1 72 ASP H 1 73 MET H . . 3.430 2.500 2.345 2.784 . 0 0 "[ . ]" 1
789 1 72 ASP H 1 73 MET QB . . 5.340 4.267 4.085 4.575 . 0 0 "[ . ]" 1
790 1 72 ASP H 1 74 LEU H . . 4.320 3.996 3.635 4.241 . 0 0 "[ . ]" 1
791 1 72 ASP QB 1 73 MET H . . 3.720 2.652 2.265 2.971 . 0 0 "[ . ]" 1
792 1 72 ASP QB 1 74 LEU H . . 5.340 4.648 4.327 4.823 . 0 0 "[ . ]" 1
793 1 72 ASP HB2 1 73 MET H . . 4.270 3.957 3.747 4.210 . 0 0 "[ . ]" 1
794 1 72 ASP HB3 1 73 MET H . . 4.270 2.697 2.284 3.037 . 0 0 "[ . ]" 1
795 1 73 MET H 1 74 LEU H . . 4.050 2.711 2.551 2.797 . 0 0 "[ . ]" 1
796 1 73 MET H 1 76 LEU H . . 5.500 5.159 4.890 5.489 . 0 0 "[ . ]" 1
797 1 73 MET HA 1 74 LEU HA . . 5.110 4.803 4.703 4.878 . 0 0 "[ . ]" 1
798 1 73 MET HA 1 76 LEU H . . 4.370 3.459 3.262 4.037 . 0 0 "[ . ]" 1
799 1 74 LEU H 1 74 LEU HB2 . . 4.090 2.682 2.496 3.546 . 0 0 "[ . ]" 1
800 1 74 LEU H 1 74 LEU QB . . 3.550 2.228 2.220 2.243 . 0 0 "[ . ]" 1
801 1 74 LEU H 1 74 LEU HB3 . . 4.090 2.424 2.268 2.511 . 0 0 "[ . ]" 1
802 1 74 LEU H 1 74 LEU MD1 . . 4.880 4.180 4.026 4.319 . 0 0 "[ . ]" 1
803 1 74 LEU H 1 74 LEU QD . . 4.100 3.629 3.163 3.733 . 0 0 "[ . ]" 1
804 1 74 LEU H 1 74 LEU MD2 . . 4.880 4.020 3.279 4.235 . 0 0 "[ . ]" 1
805 1 74 LEU H 1 74 LEU HG . . 4.680 4.289 2.947 4.500 . 0 0 "[ . ]" 1
806 1 74 LEU H 1 75 ASP H . . 3.460 2.644 2.396 2.830 . 0 0 "[ . ]" 1
807 1 74 LEU H 1 75 ASP QB . . 5.340 4.350 4.115 4.514 . 0 0 "[ . ]" 1
808 1 74 LEU H 1 76 LEU H . . 5.100 4.051 3.917 4.176 . 0 0 "[ . ]" 1
809 1 74 LEU H 1 76 LEU QD . . 5.440 4.788 4.424 5.245 . 0 0 "[ . ]" 1
810 1 74 LEU HA 1 74 LEU QD . . 4.270 2.754 2.272 3.269 . 0 0 "[ . ]" 1
811 1 74 LEU HA 1 75 ASP HA . . 5.500 4.791 4.736 4.860 . 0 0 "[ . ]" 1
812 1 74 LEU HA 1 77 ALA H . . 3.820 3.349 2.967 3.751 . 0 0 "[ . ]" 1
813 1 74 LEU HA 1 77 ALA MB . . 4.330 2.462 2.117 2.779 . 0 0 "[ . ]" 1
814 1 74 LEU QB 1 75 ASP H . . 3.420 2.747 2.359 3.523 0.103 7 0 "[ . ]" 1
815 1 74 LEU QB 1 77 ALA H . . 5.330 4.827 4.285 5.098 . 0 0 "[ . ]" 1
816 1 74 LEU HB2 1 75 ASP H . . 4.240 3.994 3.806 4.244 0.004 7 0 "[ . ]" 1
817 1 74 LEU HB3 1 75 ASP H . . 4.240 2.812 2.382 3.763 . 0 0 "[ . ]" 1
818 1 74 LEU QD 1 75 ASP H . . 3.720 3.479 3.049 3.719 . 0 0 "[ . ]" 1
819 1 74 LEU QD 1 75 ASP HA . . 4.140 3.488 2.802 4.108 . 0 0 "[ . ]" 1
820 1 74 LEU QD 1 77 ALA MB . . 4.900 3.226 2.722 3.650 . 0 0 "[ . ]" 1
821 1 74 LEU MD1 1 75 ASP H . . 5.010 4.626 3.577 4.987 . 0 0 "[ . ]" 1
822 1 74 LEU MD2 1 75 ASP H . . 5.010 3.653 3.086 3.928 . 0 0 "[ . ]" 1
823 1 74 LEU HG 1 75 ASP H . . 4.590 3.874 2.395 4.552 . 0 0 "[ . ]" 1
824 1 74 LEU HG 1 77 ALA H . . 4.770 4.708 4.381 4.861 0.091 7 0 "[ . ]" 1
825 1 75 ASP H 1 75 ASP HB2 . . 3.380 2.198 2.080 2.379 . 0 0 "[ . ]" 1
826 1 75 ASP H 1 75 ASP QB . . 2.690 2.132 2.057 2.230 . 0 0 "[ . ]" 1
827 1 75 ASP H 1 75 ASP HB3 . . 3.380 3.008 2.695 3.288 . 0 0 "[ . ]" 1
828 1 75 ASP H 1 76 LEU H . . 3.350 2.596 2.481 2.709 . 0 0 "[ . ]" 1
829 1 75 ASP H 1 76 LEU HB2 . . 4.980 4.600 4.480 4.720 . 0 0 "[ . ]" 1
830 1 75 ASP H 1 76 LEU QD . . 4.510 3.637 3.463 3.892 . 0 0 "[ . ]" 1
831 1 75 ASP H 1 77 ALA H . . 4.280 4.000 3.917 4.079 . 0 0 "[ . ]" 1
832 1 75 ASP H 1 77 ALA MB . . 5.150 4.648 4.531 4.758 . 0 0 "[ . ]" 1
833 1 75 ASP QB 1 76 LEU H . . 3.220 2.921 2.802 3.023 . 0 0 "[ . ]" 1
834 1 75 ASP QB 1 77 ALA H . . 5.300 4.575 4.418 4.720 . 0 0 "[ . ]" 1
835 1 75 ASP HB2 1 76 LEU H . . 4.030 3.663 3.360 3.951 . 0 0 "[ . ]" 1
836 1 75 ASP HB3 1 76 LEU H . . 4.030 3.110 2.881 3.363 . 0 0 "[ . ]" 1
837 1 76 LEU H 1 76 LEU HB2 . . 2.960 2.255 2.217 2.303 . 0 0 "[ . ]" 1
838 1 76 LEU H 1 76 LEU HB3 . . 3.670 3.535 3.509 3.544 . 0 0 "[ . ]" 1
839 1 76 LEU H 1 76 LEU MD1 . . 4.480 3.272 2.307 4.008 . 0 0 "[ . ]" 1
840 1 76 LEU H 1 76 LEU QD . . 3.560 2.353 2.187 2.586 . 0 0 "[ . ]" 1
841 1 76 LEU H 1 76 LEU MD2 . . 4.480 3.120 2.198 4.225 . 0 0 "[ . ]" 1
842 1 76 LEU H 1 77 ALA H . . 3.010 2.390 2.225 2.545 . 0 0 "[ . ]" 1
843 1 76 LEU H 1 77 ALA HA . . 4.880 4.804 4.629 4.884 0.004 5 0 "[ . ]" 1
844 1 76 LEU H 1 77 ALA MB . . 4.250 3.962 3.816 4.134 . 0 0 "[ . ]" 1
845 1 76 LEU HA 1 76 LEU QD . . 3.050 2.306 1.917 2.894 . 0 0 "[ . ]" 1
846 1 76 LEU HA 1 77 ALA H . . 3.570 3.298 3.146 3.472 . 0 0 "[ . ]" 1
847 1 76 LEU HB2 1 76 LEU QD . . 3.020 2.148 2.006 2.252 . 0 0 "[ . ]" 1
848 1 76 LEU HB2 1 77 ALA H . . 3.790 3.452 3.003 3.802 0.012 9 0 "[ . ]" 1
849 1 76 LEU HB3 1 77 ALA H . . 4.200 3.958 3.657 4.206 0.006 9 0 "[ . ]" 1
850 1 76 LEU QD 1 77 ALA H . . 4.110 3.956 3.851 4.066 . 0 0 "[ . ]" 1
851 1 76 LEU QD 1 77 ALA MB . . 5.400 4.884 4.838 4.975 . 0 0 "[ . ]" 1
852 1 76 LEU MD1 1 77 ALA H . . 5.290 4.470 4.124 4.768 . 0 0 "[ . ]" 1
853 1 76 LEU MD2 1 77 ALA H . . 5.290 4.604 4.065 5.301 0.011 7 0 "[ . ]" 1
854 1 77 ALA H 1 77 ALA MB . . 2.940 2.197 2.086 2.337 . 0 0 "[ . ]" 1
855 1 77 ALA H 1 78 PHE H . . 4.770 4.239 3.993 4.429 . 0 0 "[ . ]" 1
856 1 77 ALA HA 1 78 PHE H . . 3.150 2.206 2.147 2.294 . 0 0 "[ . ]" 1
857 1 77 ALA MB 1 78 PHE H . . 4.370 3.485 3.341 3.619 . 0 0 "[ . ]" 1
858 1 77 ALA MB 1 80 LEU H . . 4.270 3.984 3.644 4.271 0.001 5 0 "[ . ]" 1
859 1 78 PHE H 1 78 PHE HB3 . . 4.070 3.242 2.760 3.722 . 0 0 "[ . ]" 1
860 1 78 PHE H 1 78 PHE QD . . 4.320 3.927 2.807 4.330 0.010 8 0 "[ . ]" 1
861 1 78 PHE HA 1 78 PHE QD . . 3.830 2.445 2.125 3.027 . 0 0 "[ . ]" 1
862 1 78 PHE HA 1 79 GLY H . . 3.270 2.157 2.143 2.194 . 0 0 "[ . ]" 1
863 1 78 PHE HA 1 80 LEU H . . 4.150 3.631 3.473 3.819 . 0 0 "[ . ]" 1
864 1 78 PHE HB3 1 79 GLY H . . 4.090 3.700 3.074 4.089 . 0 0 "[ . ]" 1
865 1 78 PHE HB3 1 79 GLY QA . . 4.360 4.105 3.933 4.289 . 0 0 "[ . ]" 1
866 1 79 GLY H 1 80 LEU H . . 3.740 2.819 2.679 3.044 . 0 0 "[ . ]" 1
867 1 80 LEU H 1 80 LEU HB2 . . 2.870 2.324 2.226 2.447 . 0 0 "[ . ]" 1
868 1 80 LEU H 1 80 LEU HB3 . . 2.870 2.755 2.639 2.847 . 0 0 "[ . ]" 1
869 1 80 LEU H 1 80 LEU MD1 . . 3.990 3.837 3.726 3.996 0.006 6 0 "[ . ]" 1
870 1 80 LEU H 1 81 THR H . . 4.660 4.620 4.581 4.644 . 0 0 "[ . ]" 1
871 1 80 LEU HA 1 80 LEU MD1 . . 4.000 2.290 2.011 2.774 . 0 0 "[ . ]" 1
872 1 80 LEU HA 1 80 LEU HG . . 3.830 2.699 2.542 2.813 . 0 0 "[ . ]" 1
873 1 80 LEU HA 1 81 THR H . . 3.130 2.348 2.295 2.406 . 0 0 "[ . ]" 1
874 1 80 LEU HA 1 90 ILE MD . . 4.160 2.639 1.964 3.352 . 0 0 "[ . ]" 1
875 1 80 LEU HA 1 90 ILE HG13 . . 5.050 3.603 3.021 4.309 . 0 0 "[ . ]" 1
876 1 80 LEU QB 1 80 LEU HG . . 2.600 2.439 2.392 2.516 . 0 0 "[ . ]" 1
877 1 80 LEU QB 1 81 THR H . . 3.400 3.254 3.089 3.401 0.001 3 0 "[ . ]" 1
878 1 80 LEU QB 1 90 ILE HG12 . . 5.150 4.364 3.910 4.598 . 0 0 "[ . ]" 1
879 1 80 LEU HB2 1 81 THR H . . 4.140 4.011 3.975 4.037 . 0 0 "[ . ]" 1
880 1 80 LEU HB3 1 81 THR H . . 4.140 3.446 3.220 3.661 . 0 0 "[ . ]" 1
881 1 80 LEU MD1 1 90 ILE MD . . 3.940 3.018 2.503 3.382 . 0 0 "[ . ]" 1
882 1 80 LEU MD1 1 90 ILE HG12 . . 4.020 2.031 1.911 2.203 . 0 0 "[ . ]" 1
883 1 80 LEU MD1 1 90 ILE HG13 . . 3.450 2.591 1.941 2.939 . 0 0 "[ . ]" 1
884 1 80 LEU MD1 1 90 ILE MG . . 3.790 3.615 3.381 3.806 0.016 5 0 "[ . ]" 1
885 1 80 LEU MD1 1 91 ILE H . . 4.830 4.830 4.772 4.916 0.086 5 0 "[ . ]" 1
886 1 80 LEU HG 1 81 THR H . . 3.340 1.951 1.935 1.979 . 0 0 "[ . ]" 1
887 1 80 LEU HG 1 81 THR MG . . 4.720 4.414 3.892 4.549 . 0 0 "[ . ]" 1
888 1 80 LEU HG 1 83 THR H . . 5.500 5.196 4.986 5.475 . 0 0 "[ . ]" 1
889 1 80 LEU HG 1 84 SER H . . 4.170 3.904 3.715 4.083 . 0 0 "[ . ]" 1
890 1 80 LEU HG 1 84 SER HB2 . . 4.500 3.478 3.092 3.699 . 0 0 "[ . ]" 1
891 1 80 LEU HG 1 84 SER HB3 . . 4.330 2.058 1.996 2.179 . 0 0 "[ . ]" 1
892 1 80 LEU HG 1 90 ILE MD . . 3.520 3.304 3.054 3.529 0.009 1 0 "[ . ]" 1
893 1 80 LEU HG 1 90 ILE HG12 . . 3.030 2.856 2.580 3.014 . 0 0 "[ . ]" 1
894 1 80 LEU HG 1 90 ILE HG13 . . 4.990 4.216 3.639 4.571 . 0 0 "[ . ]" 1
895 1 80 LEU HG 1 90 ILE MG . . 4.260 4.107 3.863 4.279 0.019 4 0 "[ . ]" 1
896 1 81 THR H 1 81 THR MG . . 3.760 2.808 2.322 2.957 . 0 0 "[ . ]" 1
897 1 81 THR H 1 83 THR H . . 4.710 4.479 4.284 4.623 . 0 0 "[ . ]" 1
898 1 81 THR H 1 84 SER H . . 4.220 3.917 3.835 3.996 . 0 0 "[ . ]" 1
899 1 81 THR H 1 84 SER HB2 . . 4.220 3.871 3.408 4.098 . 0 0 "[ . ]" 1
900 1 81 THR H 1 90 ILE HG13 . . 5.100 4.038 3.616 4.562 . 0 0 "[ . ]" 1
901 1 81 THR HA 1 81 THR HB . . 3.000 2.564 2.360 2.619 . 0 0 "[ . ]" 1
902 1 81 THR HA 1 81 THR MG . . 3.200 2.204 2.077 2.455 . 0 0 "[ . ]" 1
903 1 81 THR HA 1 82 ASP H . . 3.330 2.471 2.363 2.580 . 0 0 "[ . ]" 1
904 1 81 THR HA 1 83 THR H . . 4.510 3.960 3.868 4.045 . 0 0 "[ . ]" 1
905 1 81 THR HB 1 82 ASP H . . 3.360 2.264 2.169 2.494 . 0 0 "[ . ]" 1
906 1 81 THR HB 1 83 THR H . . 3.630 2.301 2.188 2.956 . 0 0 "[ . ]" 1
907 1 81 THR HB 1 83 THR MG . . 4.910 2.748 2.615 2.932 . 0 0 "[ . ]" 1
908 1 81 THR HB 1 84 SER H . . 5.150 3.529 3.365 4.410 . 0 0 "[ . ]" 1
909 1 81 THR MG 1 82 ASP H . . 3.940 3.394 3.254 3.760 . 0 0 "[ . ]" 1
910 1 81 THR MG 1 83 THR H . . 3.880 3.920 3.893 3.967 0.087 3 0 "[ . ]" 1
911 1 81 THR MG 1 84 SER H . . 4.510 4.503 4.365 4.548 0.038 1 0 "[ . ]" 1
912 1 82 ASP H 1 82 ASP HB2 . . 4.140 2.471 2.233 2.753 . 0 0 "[ . ]" 1
913 1 82 ASP H 1 82 ASP QB . . 3.400 2.417 2.209 2.673 . 0 0 "[ . ]" 1
914 1 82 ASP H 1 82 ASP HB3 . . 4.140 3.509 2.774 3.634 . 0 0 "[ . ]" 1
915 1 82 ASP H 1 83 THR H . . 3.780 2.497 2.456 2.532 . 0 0 "[ . ]" 1
916 1 82 ASP HA 1 84 SER H . . 5.500 4.015 3.940 4.062 . 0 0 "[ . ]" 1
917 1 82 ASP QB 1 83 THR H . . 3.860 3.390 3.290 3.460 . 0 0 "[ . ]" 1
918 1 82 ASP QB 1 83 THR MG . . 4.170 3.184 3.128 3.282 . 0 0 "[ . ]" 1
919 1 83 THR H 1 83 THR MG . . 3.390 2.308 2.253 2.398 . 0 0 "[ . ]" 1
920 1 83 THR H 1 84 SER H . . 2.960 2.093 2.038 2.201 . 0 0 "[ . ]" 1
921 1 83 THR H 1 84 SER HA . . 5.060 4.799 4.741 4.901 . 0 0 "[ . ]" 1
922 1 83 THR H 1 84 SER HB2 . . 4.670 4.508 4.207 4.679 0.009 9 0 "[ . ]" 1
923 1 83 THR H 1 84 SER HB3 . . 4.500 4.342 4.062 4.518 0.018 2 0 "[ . ]" 1
924 1 83 THR HA 1 83 THR MG . . 3.380 2.500 2.452 2.532 . 0 0 "[ . ]" 1
925 1 83 THR HB 1 84 SER H . . 4.700 4.211 4.191 4.239 . 0 0 "[ . ]" 1
926 1 83 THR MG 1 84 SER H . . 3.910 3.756 3.712 3.814 . 0 0 "[ . ]" 1
927 1 84 SER H 1 84 SER HB2 . . 3.460 2.787 2.516 2.925 . 0 0 "[ . ]" 1
928 1 84 SER H 1 84 SER HB3 . . 3.040 2.506 2.283 2.695 . 0 0 "[ . ]" 1
929 1 84 SER H 1 85 ARG H . . 4.620 4.497 4.405 4.566 . 0 0 "[ . ]" 1
930 1 84 SER HA 1 85 ARG H . . 3.260 2.296 2.138 2.526 . 0 0 "[ . ]" 1
931 1 84 SER HB2 1 85 ARG H . . 4.330 4.004 3.694 4.336 0.006 6 0 "[ . ]" 1
932 1 84 SER HB3 1 85 ARG H . . 4.300 3.860 3.166 4.328 0.028 9 0 "[ . ]" 1
933 1 85 ARG H 1 85 ARG QG . . 3.690 2.857 2.015 3.338 . 0 0 "[ . ]" 1
934 1 90 ILE H 1 90 ILE MD . . 5.400 4.193 4.144 4.310 . 0 0 "[ . ]" 1
935 1 90 ILE H 1 91 ILE H . . 3.890 3.285 2.968 3.454 . 0 0 "[ . ]" 1
936 1 90 ILE HA 1 90 ILE MG . . 3.470 2.104 1.976 2.283 . 0 0 "[ . ]" 1
937 1 90 ILE HA 1 91 ILE H . . 2.810 2.350 2.275 2.485 . 0 0 "[ . ]" 1
938 1 90 ILE HA 1 91 ILE HA . . 4.590 4.407 4.399 4.427 . 0 0 "[ . ]" 1
939 1 90 ILE HB 1 91 ILE H . . 4.930 4.314 4.266 4.375 . 0 0 "[ . ]" 1
940 1 90 ILE HB 1 92 LEU H . . 5.460 5.613 5.574 5.661 0.201 2 0 "[ . ]" 1
941 1 90 ILE HG13 1 91 ILE H . . 5.410 5.155 5.072 5.214 . 0 0 "[ . ]" 1
942 1 90 ILE MG 1 91 ILE H . . 3.800 3.665 3.499 3.897 0.097 4 0 "[ . ]" 1
943 1 91 ILE H 1 91 ILE HB . . 3.790 3.698 3.677 3.708 . 0 0 "[ . ]" 1
944 1 91 ILE H 1 91 ILE MD . . 5.040 3.737 3.707 3.762 . 0 0 "[ . ]" 1
945 1 91 ILE H 1 91 ILE HG12 . . 3.610 2.117 2.082 2.195 . 0 0 "[ . ]" 1
946 1 91 ILE H 1 91 ILE QG . . 3.140 2.023 1.991 2.063 . 0 0 "[ . ]" 1
947 1 91 ILE H 1 91 ILE HG13 . . 3.610 2.572 2.506 2.638 . 0 0 "[ . ]" 1
948 1 91 ILE H 1 92 LEU H . . 4.270 4.171 4.050 4.253 . 0 0 "[ . ]" 1
949 1 91 ILE HA 1 91 ILE MD . . 4.310 4.158 4.152 4.167 . 0 0 "[ . ]" 1
950 1 91 ILE HA 1 92 LEU H . . 2.870 2.153 2.140 2.182 . 0 0 "[ . ]" 1
951 1 91 ILE HA 1 92 LEU QD . . 4.960 3.910 3.334 4.364 . 0 0 "[ . ]" 1
952 1 91 ILE HB 1 91 ILE MD . . 3.300 2.419 2.409 2.434 . 0 0 "[ . ]" 1
953 1 91 ILE HB 1 92 LEU H . . 4.140 3.611 3.480 3.812 . 0 0 "[ . ]" 1
954 1 91 ILE QG 1 92 LEU H . . 4.650 4.392 4.366 4.426 . 0 0 "[ . ]" 1
955 1 91 ILE HG12 1 92 LEU H . . 5.500 5.252 5.227 5.291 . 0 0 "[ . ]" 1
956 1 91 ILE HG13 1 92 LEU H . . 5.500 4.710 4.653 4.766 . 0 0 "[ . ]" 1
957 1 92 LEU H 1 92 LEU QB . . 3.430 2.558 2.308 2.691 . 0 0 "[ . ]" 1
958 1 92 LEU H 1 92 LEU QD . . 3.620 2.596 2.056 2.984 . 0 0 "[ . ]" 1
959 1 92 LEU H 1 92 LEU HG . . 3.140 2.249 1.943 2.862 . 0 0 "[ . ]" 1
960 1 92 LEU H 1 93 THR H . . 4.810 4.636 4.620 4.646 . 0 0 "[ . ]" 1
961 1 92 LEU H 1 93 THR MG . . 4.960 4.984 4.697 5.037 0.077 6 0 "[ . ]" 1
962 1 92 LEU H 1 96 LEU MD1 . . 5.500 5.416 5.284 5.574 0.074 5 0 "[ . ]" 1
963 1 92 LEU H 1 104 PRO HG3 . . 4.740 4.346 3.478 4.767 0.027 7 0 "[ . ]" 1
964 1 92 LEU HA 1 92 LEU QD . . 3.750 2.947 2.372 3.434 . 0 0 "[ . ]" 1
965 1 92 LEU HA 1 92 LEU HG . . 4.220 3.140 2.652 3.638 . 0 0 "[ . ]" 1
966 1 92 LEU HA 1 93 THR H . . 2.730 2.432 2.370 2.496 . 0 0 "[ . ]" 1
967 1 92 LEU HA 1 93 THR MG . . 3.230 3.033 2.936 3.073 . 0 0 "[ . ]" 1
968 1 92 LEU HA 1 96 LEU MD1 . . 3.840 3.166 2.990 3.351 . 0 0 "[ . ]" 1
969 1 92 LEU QB 1 93 THR H . . 4.030 2.339 2.196 2.469 . 0 0 "[ . ]" 1
970 1 92 LEU QD 1 93 THR H . . 5.080 3.388 2.725 3.841 . 0 0 "[ . ]" 1
971 1 92 LEU QD 1 104 PRO HG3 . . 4.760 3.075 2.491 3.768 . 0 0 "[ . ]" 1
972 1 92 LEU HG 1 93 THR H . . 4.660 4.496 3.837 4.689 0.029 4 0 "[ . ]" 1
973 1 93 THR H 1 93 THR MG . . 3.420 2.348 2.258 2.420 . 0 0 "[ . ]" 1
974 1 93 THR H 1 94 LYS HA . . 5.100 4.919 4.856 4.964 . 0 0 "[ . ]" 1
975 1 93 THR H 1 95 GLU HB2 . . 5.500 4.823 4.655 5.069 . 0 0 "[ . ]" 1
976 1 93 THR H 1 96 LEU H . . 4.320 4.055 3.861 4.285 . 0 0 "[ . ]" 1
977 1 93 THR H 1 96 LEU HB2 . . 5.130 3.989 3.737 4.334 . 0 0 "[ . ]" 1
978 1 93 THR H 1 96 LEU MD1 . . 3.280 2.071 1.848 2.263 . 0 0 "[ . ]" 1
979 1 93 THR H 1 96 LEU HG . . 5.160 4.907 4.675 4.993 . 0 0 "[ . ]" 1
980 1 93 THR HA 1 93 THR MG . . 3.230 3.124 2.903 3.166 . 0 0 "[ . ]" 1
981 1 93 THR HA 1 94 LYS H . . 3.270 2.373 2.346 2.447 . 0 0 "[ . ]" 1
982 1 93 THR HA 1 94 LYS HB3 . . 4.580 4.475 4.308 4.583 0.003 9 0 "[ . ]" 1
983 1 93 THR HA 1 95 GLU H . . 4.240 3.944 3.876 4.080 . 0 0 "[ . ]" 1
984 1 93 THR HA 1 96 LEU MD1 . . 4.190 4.067 3.796 4.162 . 0 0 "[ . ]" 1
985 1 93 THR HB 1 94 LYS H . . 3.520 3.450 2.890 3.543 0.023 6 0 "[ . ]" 1
986 1 93 THR HB 1 95 GLU H . . 4.110 3.891 3.540 3.999 . 0 0 "[ . ]" 1
987 1 93 THR MG 1 94 LYS H . . 4.110 3.897 3.792 4.033 . 0 0 "[ . ]" 1
988 1 93 THR MG 1 95 GLU H . . 3.890 2.935 2.656 3.744 . 0 0 "[ . ]" 1
989 1 93 THR MG 1 95 GLU HA . . 5.500 4.646 4.355 5.579 0.079 8 0 "[ . ]" 1
990 1 93 THR MG 1 95 GLU HB2 . . 3.830 2.283 1.951 3.304 . 0 0 "[ . ]" 1
991 1 93 THR MG 1 96 LEU H . . 4.200 3.355 3.154 4.091 . 0 0 "[ . ]" 1
992 1 93 THR MG 1 96 LEU MD1 . . 4.460 1.845 1.828 1.881 . 0 0 "[ . ]" 1
993 1 94 LYS H 1 94 LYS HB3 . . 3.680 2.192 2.145 2.221 . 0 0 "[ . ]" 1
994 1 94 LYS H 1 94 LYS QD . . 5.340 4.179 3.370 4.670 . 0 0 "[ . ]" 1
995 1 94 LYS H 1 94 LYS HG2 . . 4.670 3.733 2.902 4.154 . 0 0 "[ . ]" 1
996 1 94 LYS H 1 94 LYS HG3 . . 4.450 4.378 4.146 4.489 0.039 9 0 "[ . ]" 1
997 1 94 LYS H 1 95 GLU H . . 4.240 2.629 2.498 2.692 . 0 0 "[ . ]" 1
998 1 94 LYS H 1 95 GLU HB2 . . 4.770 4.638 4.532 4.685 . 0 0 "[ . ]" 1
999 1 94 LYS HA 1 94 LYS QE . . 5.160 4.580 3.831 5.157 . 0 0 "[ . ]" 1
1000 1 94 LYS HA 1 97 ASP H . . 4.070 3.908 3.678 4.082 0.012 5 0 "[ . ]" 1
1001 1 94 LYS HB2 1 94 LYS QE . . 4.540 3.347 2.576 4.068 . 0 0 "[ . ]" 1
1002 1 94 LYS HB2 1 95 GLU H . . 4.710 4.371 4.338 4.426 . 0 0 "[ . ]" 1
1003 1 94 LYS HB3 1 94 LYS QE . . 3.760 3.388 2.473 3.781 0.021 8 0 "[ . ]" 1
1004 1 94 LYS HB3 1 95 GLU H . . 4.110 3.498 3.249 3.967 . 0 0 "[ . ]" 1
1005 1 94 LYS HG2 1 95 GLU H . . 3.620 3.353 2.701 3.676 0.056 1 0 "[ . ]" 1
1006 1 94 LYS HG3 1 95 GLU H . . 4.360 4.256 3.992 4.402 0.042 9 0 "[ . ]" 1
1007 1 94 LYS HG3 1 97 ASP H . . 5.490 4.082 3.737 4.668 . 0 0 "[ . ]" 1
1008 1 95 GLU H 1 95 GLU HB2 . . 3.630 2.243 2.098 2.398 . 0 0 "[ . ]" 1
1009 1 95 GLU H 1 95 GLU HB3 . . 3.680 3.517 3.398 3.577 . 0 0 "[ . ]" 1
1010 1 95 GLU H 1 95 GLU HG2 . . 4.230 3.223 2.441 4.064 . 0 0 "[ . ]" 1
1011 1 95 GLU H 1 95 GLU HG3 . . 4.230 3.710 3.386 3.914 . 0 0 "[ . ]" 1
1012 1 95 GLU H 1 96 LEU H . . 3.560 2.722 2.704 2.740 . 0 0 "[ . ]" 1
1013 1 95 GLU H 1 96 LEU MD1 . . 4.720 3.239 3.041 3.374 . 0 0 "[ . ]" 1
1014 1 95 GLU H 1 97 ASP H . . 4.480 4.365 4.267 4.445 . 0 0 "[ . ]" 1
1015 1 95 GLU HA 1 95 GLU HG2 . . 3.910 2.884 2.032 3.624 . 0 0 "[ . ]" 1
1016 1 95 GLU HA 1 95 GLU QG . . 3.370 2.430 2.012 2.776 . 0 0 "[ . ]" 1
1017 1 95 GLU HA 1 95 GLU HG3 . . 3.910 3.180 2.275 3.712 . 0 0 "[ . ]" 1
1018 1 95 GLU HA 1 96 LEU MD1 . . 4.680 4.447 4.214 4.686 0.006 5 0 "[ . ]" 1
1019 1 95 GLU HB2 1 96 LEU H . . 4.270 3.155 3.065 3.310 . 0 0 "[ . ]" 1
1020 1 95 GLU HB3 1 96 LEU H . . 3.840 3.662 3.409 3.853 0.013 8 0 "[ . ]" 1
1021 1 95 GLU HB3 1 96 LEU MD1 . . 3.850 3.505 2.759 3.833 . 0 0 "[ . ]" 1
1022 1 95 GLU HB3 1 96 LEU HG . . 4.500 3.919 3.766 4.139 . 0 0 "[ . ]" 1
1023 1 96 LEU H 1 96 LEU HB2 . . 3.420 2.528 2.471 2.608 . 0 0 "[ . ]" 1
1024 1 96 LEU H 1 96 LEU HB3 . . 3.830 3.657 3.647 3.670 . 0 0 "[ . ]" 1
1025 1 96 LEU H 1 96 LEU MD1 . . 3.480 1.997 1.904 2.131 . 0 0 "[ . ]" 1
1026 1 96 LEU H 1 96 LEU HG . . 3.640 3.203 3.054 3.380 . 0 0 "[ . ]" 1
1027 1 96 LEU H 1 97 ASP H . . 3.200 2.732 2.630 2.794 . 0 0 "[ . ]" 1
1028 1 96 LEU H 1 97 ASP HB3 . . 4.800 4.695 4.588 4.818 0.018 6 0 "[ . ]" 1
1029 1 96 LEU HA 1 96 LEU MD1 . . 3.560 3.460 3.313 3.591 0.031 5 0 "[ . ]" 1
1030 1 96 LEU HA 1 99 LEU H . . 4.210 3.967 3.840 4.056 . 0 0 "[ . ]" 1
1031 1 96 LEU HB2 1 96 LEU MD1 . . 3.260 2.141 2.089 2.194 . 0 0 "[ . ]" 1
1032 1 96 LEU HB2 1 97 ASP H . . 3.990 3.967 3.894 4.005 0.015 5 0 "[ . ]" 1
1033 1 96 LEU HB2 1 99 LEU H . . 4.870 4.729 4.521 4.889 0.019 9 0 "[ . ]" 1
1034 1 96 LEU HB3 1 97 ASP H . . 5.040 4.448 4.420 4.473 . 0 0 "[ . ]" 1
1035 1 96 LEU HB3 1 98 GLY H . . 5.500 5.523 5.511 5.541 0.041 5 0 "[ . ]" 1
1036 1 96 LEU HB3 1 99 LEU H . . 4.050 3.895 3.773 3.989 . 0 0 "[ . ]" 1
1037 1 96 LEU MD1 1 97 ASP H . . 4.890 4.357 4.206 4.542 . 0 0 "[ . ]" 1
1038 1 96 LEU MD1 1 101 VAL MG2 . . 4.700 3.616 3.450 3.883 . 0 0 "[ . ]" 1
1039 1 97 ASP H 1 97 ASP HB2 . . 3.870 3.331 2.773 3.595 . 0 0 "[ . ]" 1
1040 1 97 ASP H 1 97 ASP HB3 . . 2.920 2.446 2.268 2.583 . 0 0 "[ . ]" 1
1041 1 97 ASP H 1 98 GLY H . . 4.520 4.463 4.434 4.476 . 0 0 "[ . ]" 1
1042 1 97 ASP HA 1 98 GLY H . . 3.050 2.144 2.143 2.147 . 0 0 "[ . ]" 1
1043 1 97 ASP HA 1 99 LEU H . . 3.900 3.495 3.477 3.541 . 0 0 "[ . ]" 1
1044 1 97 ASP HB2 1 98 GLY H . . 5.450 3.759 3.512 4.203 . 0 0 "[ . ]" 1
1045 1 97 ASP HB2 1 99 LEU H . . 5.500 5.259 5.078 5.521 0.021 6 0 "[ . ]" 1
1046 1 97 ASP HB3 1 98 GLY H . . 5.260 4.384 4.334 4.465 . 0 0 "[ . ]" 1
1047 1 98 GLY H 1 99 LEU H . . 3.130 2.542 2.441 2.607 . 0 0 "[ . ]" 1
1048 1 99 LEU H 1 100 CYS H . . 4.580 4.533 4.499 4.565 . 0 0 "[ . ]" 1
1049 1 99 LEU H 1 101 VAL MG1 . . 5.500 5.208 5.073 5.326 . 0 0 "[ . ]" 1
1050 1 100 CYS H 1 100 CYS QB . . 3.550 2.782 2.576 2.842 . 0 0 "[ . ]" 1
1051 1 100 CYS H 1 101 VAL H . . 4.440 4.444 4.433 4.468 0.028 7 0 "[ . ]" 1
1052 1 100 CYS H 1 101 VAL MG1 . . 3.930 3.881 3.804 3.953 0.023 7 0 "[ . ]" 1
1053 1 100 CYS HA 1 101 VAL H . . 2.750 2.153 2.150 2.164 . 0 0 "[ . ]" 1
1054 1 100 CYS HA 1 101 VAL MG2 . . 5.040 3.723 3.677 3.772 . 0 0 "[ . ]" 1
1055 1 100 CYS QB 1 101 VAL H . . 3.670 3.167 3.101 3.191 . 0 0 "[ . ]" 1
1056 1 101 VAL H 1 101 VAL HB . . 3.960 3.904 3.878 3.924 . 0 0 "[ . ]" 1
1057 1 101 VAL H 1 101 VAL MG1 . . 3.790 3.122 3.051 3.184 . 0 0 "[ . ]" 1
1058 1 101 VAL H 1 101 VAL MG2 . . 3.400 2.380 2.173 2.465 . 0 0 "[ . ]" 1
1059 1 101 VAL H 1 102 ILE H . . 5.120 4.417 4.405 4.428 . 0 0 "[ . ]" 1
1060 1 101 VAL HA 1 102 ILE H . . 3.180 2.444 2.437 2.450 . 0 0 "[ . ]" 1
1061 1 101 VAL HB 1 102 ILE H . . 3.720 2.297 2.285 2.330 . 0 0 "[ . ]" 1
1062 1 101 VAL HB 1 102 ILE HB . . 4.670 4.468 4.439 4.509 . 0 0 "[ . ]" 1
1063 1 101 VAL MG1 1 102 ILE H . . 3.780 3.659 3.623 3.723 . 0 0 "[ . ]" 1
1064 1 101 VAL MG2 1 102 ILE H . . 4.310 3.310 3.211 3.372 . 0 0 "[ . ]" 1
1065 1 102 ILE H 1 102 ILE HB . . 3.110 2.507 2.475 2.573 . 0 0 "[ . ]" 1
1066 1 102 ILE H 1 102 ILE MD . . 4.180 3.433 3.262 3.533 . 0 0 "[ . ]" 1
1067 1 102 ILE H 1 102 ILE HG12 . . 4.060 2.351 2.220 2.418 . 0 0 "[ . ]" 1
1068 1 102 ILE H 1 102 ILE HG13 . . 4.010 3.750 3.685 3.792 . 0 0 "[ . ]" 1
1069 1 102 ILE H 1 102 ILE MG . . 3.820 3.781 3.773 3.794 . 0 0 "[ . ]" 1
1070 1 102 ILE H 1 103 LEU H . . 4.610 4.578 4.543 4.597 . 0 0 "[ . ]" 1
1071 1 102 ILE HA 1 102 ILE MD . . 4.060 2.018 1.968 2.133 . 0 0 "[ . ]" 1
1072 1 102 ILE HA 1 103 LEU H . . 3.200 2.226 2.171 2.279 . 0 0 "[ . ]" 1
1073 1 102 ILE HB 1 102 ILE MD . . 3.740 3.223 3.216 3.230 . 0 0 "[ . ]" 1
1074 1 102 ILE HB 1 103 LEU H . . 4.100 3.946 3.757 4.095 . 0 0 "[ . ]" 1
1075 1 102 ILE MD 1 102 ILE MG . . 3.810 2.062 2.016 2.129 . 0 0 "[ . ]" 1
1076 1 102 ILE MD 1 103 LEU H . . 3.620 3.446 3.302 3.632 0.012 5 0 "[ . ]" 1
1077 1 102 ILE HG12 1 102 ILE MG . . 3.680 3.195 3.188 3.199 . 0 0 "[ . ]" 1
1078 1 102 ILE HG12 1 103 LEU H . . 5.090 4.982 4.944 5.075 . 0 0 "[ . ]" 1
1079 1 102 ILE HG13 1 103 LEU H . . 5.360 5.136 5.054 5.271 . 0 0 "[ . ]" 1
1080 1 102 ILE MG 1 103 LEU H . . 3.290 2.149 2.016 2.439 . 0 0 "[ . ]" 1
1081 1 103 LEU HA 1 104 PRO QD . . 3.410 2.069 1.957 2.102 . 0 0 "[ . ]" 1
1082 1 103 LEU HA 1 104 PRO HG2 . . 4.620 4.481 4.311 4.529 . 0 0 "[ . ]" 1
1083 1 103 LEU HA 1 105 THR H . . 4.560 4.422 4.185 4.502 . 0 0 "[ . ]" 1
1084 1 104 PRO QB 1 105 THR H . . 3.610 2.903 2.846 3.051 . 0 0 "[ . ]" 1
1085 1 104 PRO QB 1 105 THR MG . . 4.680 3.251 2.568 4.647 . 0 0 "[ . ]" 1
1086 1 104 PRO HG2 1 105 THR H . . 4.180 1.999 1.940 2.164 . 0 0 "[ . ]" 1
1087 1 104 PRO HG3 1 105 THR H . . 4.280 3.604 3.560 3.729 . 0 0 "[ . ]" 1
1088 1 105 THR H 1 105 THR HB . . 3.940 3.539 3.146 3.913 . 0 0 "[ . ]" 1
1089 1 105 THR H 1 105 THR MG . . 4.430 2.861 2.240 4.024 . 0 0 "[ . ]" 1
1090 1 105 THR H 1 106 GLU H . . 4.670 4.362 4.155 4.508 . 0 0 "[ . ]" 1
1091 1 105 THR HA 1 105 THR MG . . 3.460 2.581 1.960 3.204 . 0 0 "[ . ]" 1
1092 1 105 THR HA 1 106 GLU H . . 3.300 2.487 2.151 2.680 . 0 0 "[ . ]" 1
1093 1 105 THR HA 1 106 GLU QB . . 4.640 4.543 4.359 4.643 0.003 5 0 "[ . ]" 1
1094 1 105 THR HA 1 106 GLU QG . . 5.030 4.055 3.379 4.947 . 0 0 "[ . ]" 1
1095 1 105 THR MG 1 106 GLU H . . 4.150 3.290 2.108 3.866 . 0 0 "[ . ]" 1
1096 1 106 GLU H 1 106 GLU QB . . 3.600 2.470 2.346 2.578 . 0 0 "[ . ]" 1
1097 1 106 GLU H 1 106 GLU QG . . 3.900 2.530 1.943 2.988 . 0 0 "[ . ]" 1
1098 1 106 GLU HA 1 106 GLU QG . . 3.370 2.887 2.296 3.374 0.004 2 0 "[ . ]" 1
1099 1 106 GLU HA 1 107 THR H . . 3.250 2.378 2.138 2.908 . 0 0 "[ . ]" 1
1100 1 106 GLU QB 1 107 THR H . . 4.370 3.400 2.735 3.901 . 0 0 "[ . ]" 1
1101 1 107 THR H 1 107 THR HB . . 4.140 3.238 2.670 3.725 . 0 0 "[ . ]" 1
1102 1 107 THR MG 1 108 ARG H . . 4.370 2.976 1.894 4.211 . 0 0 "[ . ]" 1
1103 1 108 ARG H 1 108 ARG QG . . 4.520 3.380 2.110 4.325 . 0 0 "[ . ]" 1
1104 1 108 ARG H 1 109 ASN HA . . 5.360 4.859 4.525 5.355 . 0 0 "[ . ]" 1
1105 1 108 ARG H 1 109 ASN QB . . 5.340 4.549 3.709 5.357 0.017 2 0 "[ . ]" 1
1106 1 108 ARG HA 1 108 ARG QG . . 3.290 2.722 2.232 3.325 0.035 9 0 "[ . ]" 1
1107 1 108 ARG HA 1 109 ASN HA . . 5.500 4.554 4.383 4.894 . 0 0 "[ . ]" 1
1108 1 108 ARG QB 1 108 ARG QD . . 3.300 2.153 1.988 2.391 . 0 0 "[ . ]" 1
1109 1 109 ASN H 1 110 ILE HB . . 5.500 5.086 4.296 5.425 . 0 0 "[ . ]" 1
1110 1 109 ASN HA 1 110 ILE H . . 3.320 2.536 2.158 3.553 0.233 3 0 "[ . ]" 1
1111 1 109 ASN HA 1 110 ILE HA . . 5.500 4.562 4.319 5.218 . 0 0 "[ . ]" 1
1112 1 110 ILE H 1 110 ILE HB . . 3.680 3.274 2.596 3.641 . 0 0 "[ . ]" 1
1113 1 110 ILE H 1 110 ILE MG . . 3.870 2.862 1.969 3.915 0.045 7 0 "[ . ]" 1
1114 1 110 ILE H 1 111 SER H . . 4.370 3.334 1.899 4.375 0.005 2 0 "[ . ]" 1
1115 1 112 PHE HA 1 113 VAL H . . 3.330 2.596 2.192 2.962 . 0 0 "[ . ]" 1
1116 1 113 VAL H 1 113 VAL QG . . 3.900 2.396 1.910 2.802 . 0 0 "[ . ]" 1
1117 1 113 VAL HA 1 114 LYS H . . 3.490 2.663 2.266 3.424 . 0 0 "[ . ]" 1
1118 1 113 VAL HA 1 114 LYS HA . . 4.440 4.392 4.315 4.505 0.065 7 0 "[ . ]" 1
1119 1 113 VAL HB 1 114 LYS HA . . 4.810 4.715 4.582 4.828 0.018 8 0 "[ . ]" 1
1120 1 113 VAL QG 1 114 LYS H . . 4.500 2.707 1.920 3.552 . 0 0 "[ . ]" 1
1121 1 115 ASN HA 1 115 ASN HD21 . . 2.650 2.133 1.948 2.388 . 0 0 "[ . ]" 1
1122 1 115 ASN HA 1 115 ASN HD22 . . 3.760 3.531 3.370 3.758 . 0 0 "[ . ]" 1
1123 1 115 ASN HA 1 116 SER H . . 2.920 2.415 2.207 2.650 . 0 0 "[ . ]" 1
1124 1 115 ASN HB2 1 116 SER H . . 5.500 3.741 3.217 4.526 . 0 0 "[ . ]" 1
1125 1 115 ASN HB3 1 116 SER H . . 5.500 2.899 1.947 4.501 . 0 0 "[ . ]" 1
1126 1 115 ASN HD22 1 116 SER H . . 5.000 4.449 2.665 5.003 0.003 8 0 "[ . ]" 1
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