NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377908 |
1ght   |
4269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ght
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 2037
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 5.417
_Distance_constraint_stats_list.Viol_max 1.548
_Distance_constraint_stats_list.Viol_rms 0.0489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0903
_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 MET 0.006 0.006 1 0 "[ ]"
1 2 ARG 0.006 0.006 1 0 "[ ]"
1 3 LEU 0.024 0.024 1 0 "[ ]"
1 4 PHE 0.007 0.007 1 0 "[ ]"
1 5 GLY 0.031 0.028 1 0 "[ ]"
1 6 TYR 0.000 0.000 . 0 "[ ]"
1 7 ALA 0.086 0.047 1 0 "[ ]"
1 8 ARG 0.000 0.000 . 0 "[ ]"
1 9 VAL 0.000 0.000 . 0 "[ ]"
1 10 SER 0.000 0.000 . 0 "[ ]"
1 11 THR 0.000 0.000 . 0 "[ ]"
1 12 SER 0.000 0.000 . 0 "[ ]"
1 13 GLN 0.000 0.000 . 0 "[ ]"
1 14 GLN 0.000 0.000 . 0 "[ ]"
1 15 SER 0.000 0.000 . 0 "[ ]"
1 16 LEU 0.330 0.140 1 0 "[ ]"
1 17 ASP 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 GLN 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.093 0.093 1 0 "[ ]"
1 21 ARG 0.041 0.032 1 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 23 LEU 0.021 0.021 1 0 "[ ]"
1 24 LYS 0.180 0.093 1 0 "[ ]"
1 25 ASP 0.193 0.084 1 0 "[ ]"
1 26 ALA 0.087 0.087 1 0 "[ ]"
1 27 GLY 0.077 0.077 1 0 "[ ]"
1 28 VAL 0.028 0.028 1 0 "[ ]"
1 29 LYS 0.042 0.024 1 0 "[ ]"
1 30 ALA 0.031 0.014 1 0 "[ ]"
1 31 ASN 0.088 0.049 1 0 "[ ]"
1 32 ARG 0.080 0.048 1 0 "[ ]"
1 33 ILE 0.020 0.014 1 0 "[ ]"
1 34 PHE 0.003 0.003 1 0 "[ ]"
1 35 THR 0.277 0.140 1 0 "[ ]"
1 36 ASP 0.117 0.047 1 0 "[ ]"
1 37 LYS 0.053 0.053 1 0 "[ ]"
1 38 ALA 0.027 0.027 1 0 "[ ]"
1 39 SER 0.014 0.014 1 0 "[ ]"
1 40 GLY 0.029 0.016 1 0 "[ ]"
1 42 SER 0.000 0.000 . 0 "[ ]"
1 43 SER 0.000 0.000 . 0 "[ ]"
1 44 ASP 0.027 0.027 1 0 "[ ]"
1 45 ARG 0.029 0.029 1 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLY 0.091 0.068 1 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 LEU 0.050 0.050 1 0 "[ ]"
1 51 LEU 0.089 0.068 1 0 "[ ]"
1 52 ARG 0.000 0.000 . 0 "[ ]"
1 53 MET 0.050 0.050 1 0 "[ ]"
1 54 LYS 0.020 0.020 1 0 "[ ]"
1 55 VAL 0.000 0.000 . 0 "[ ]"
1 56 GLU 3.086 1.548 1 1 [+]
1 57 GLU 0.033 0.033 1 0 "[ ]"
1 58 GLY 0.000 0.000 . 0 "[ ]"
1 59 ASP 3.125 1.548 1 1 [+]
1 60 VAL 0.025 0.012 1 0 "[ ]"
1 61 ILE 0.017 0.017 1 0 "[ ]"
1 62 LEU 0.113 0.087 1 0 "[ ]"
1 63 VAL 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.000 0.000 . 0 "[ ]"
1 68 ARG 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.273 0.273 1 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 ALA 0.033 0.033 1 0 "[ ]"
1 75 ASP 0.000 0.000 . 0 "[ ]"
1 76 MET 0.000 0.000 . 0 "[ ]"
1 77 ILE 0.033 0.033 1 0 "[ ]"
1 78 GLN 0.027 0.027 1 0 "[ ]"
1 79 LEU 0.017 0.017 1 0 "[ ]"
1 80 ILE 0.000 0.000 . 0 "[ ]"
1 81 LYS 0.027 0.027 1 0 "[ ]"
1 82 GLU 0.017 0.017 1 0 "[ ]"
1 83 PHE 0.006 0.006 1 0 "[ ]"
1 84 ASP 0.050 0.035 1 0 "[ ]"
1 85 ALA 0.035 0.035 1 0 "[ ]"
1 86 GLN 0.118 0.051 1 0 "[ ]"
1 87 GLY 0.006 0.006 1 0 "[ ]"
1 88 VAL 0.069 0.030 1 0 "[ ]"
1 89 SER 0.072 0.030 1 0 "[ ]"
1 90 ILE 0.000 0.000 . 0 "[ ]"
1 91 ARG 0.025 0.016 1 0 "[ ]"
1 92 PHE 0.070 0.070 1 0 "[ ]"
1 93 ILE 0.000 0.000 . 0 "[ ]"
1 94 ASP 0.000 0.000 . 0 "[ ]"
1 95 ASP 0.070 0.070 1 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
1 97 ILE 0.170 0.087 1 0 "[ ]"
1 98 SER 0.000 0.000 . 0 "[ ]"
1 99 THR 0.000 0.000 . 0 "[ ]"
1 100 ASP 0.000 0.000 . 0 "[ ]"
1 101 GLY 0.000 0.000 . 0 "[ ]"
1 102 GLU 0.000 0.000 . 0 "[ ]"
1 103 MET 0.053 0.053 1 0 "[ ]"
1 104 GLY 0.000 0.000 . 0 "[ ]"
1 105 LYS 0.000 0.000 . 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 1 MET HA 1 2 ARG H 2.570 . 3.340 2.247 2.247 2.247 . 0 0 "[ ]" 1
2 1 1 MET HA 1 59 ASP HA 2.970 . 4.140 2.652 2.652 2.652 . 0 0 "[ ]" 1
3 1 1 MET QB 1 2 ARG H 3.075 . 4.350 3.623 3.623 3.623 . 0 0 "[ ]" 1
4 1 1 MET QB 1 60 VAL QG 4.670 . 7.540 4.370 4.370 4.370 . 0 0 "[ ]" 1
5 1 1 MET HB2 1 2 ARG H 3.385 . 4.970 4.183 4.183 4.183 . 0 0 "[ ]" 1
6 1 1 MET HB2 1 59 ASP HA 3.400 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
7 1 1 MET HB2 1 60 VAL MG1 5.475 . 9.150 5.728 5.728 5.728 . 0 0 "[ ]" 1
8 1 1 MET HB2 1 60 VAL MG2 5.475 . 9.150 5.353 5.353 5.353 . 0 0 "[ ]" 1
9 1 1 MET HB3 1 2 ARG H 3.385 . 4.970 3.969 3.969 3.969 . 0 0 "[ ]" 1
10 1 1 MET HB3 1 59 ASP HA 3.400 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
11 1 1 MET HB3 1 60 VAL MG1 5.475 . 9.150 6.044 6.044 6.044 . 0 0 "[ ]" 1
12 1 1 MET HB3 1 60 VAL MG2 5.475 . 9.150 5.172 5.172 5.172 . 0 0 "[ ]" 1
13 1 1 MET ME 1 2 ARG HA 3.915 . 6.030 4.113 4.113 4.113 . 0 0 "[ ]" 1
14 1 1 MET ME 1 3 LEU HA 3.915 . 6.030 4.054 4.054 4.054 . 0 0 "[ ]" 1
15 1 1 MET ME 1 3 LEU QB 4.350 . 6.900 4.725 4.725 4.725 . 0 0 "[ ]" 1
16 1 1 MET ME 1 59 ASP HA 3.915 . 6.030 4.151 4.151 4.151 . 0 0 "[ ]" 1
17 1 1 MET ME 1 60 VAL HA 3.915 . 6.030 4.727 4.727 4.727 . 0 0 "[ ]" 1
18 1 1 MET ME 1 60 VAL HB 3.915 . 6.030 4.039 4.039 4.039 . 0 0 "[ ]" 1
19 1 1 MET ME 1 60 VAL MG1 4.430 . 7.060 2.315 2.315 2.315 . 0 0 "[ ]" 1
20 1 1 MET ME 1 60 VAL MG2 4.430 . 7.060 1.874 1.874 1.874 . 0 0 "[ ]" 1
21 1 1 MET QG 1 2 ARG H 3.685 . 5.570 2.210 2.210 2.210 . 0 0 "[ ]" 1
22 1 1 MET QG 1 2 ARG HA 3.840 . 5.880 3.609 3.609 3.609 . 0 0 "[ ]" 1
23 1 1 MET QG 1 2 ARG QB 4.275 . 6.750 4.335 4.335 4.335 . 0 0 "[ ]" 1
24 1 1 MET QG 1 56 GLU QB 4.275 . 6.750 5.329 5.329 5.329 . 0 0 "[ ]" 1
25 1 1 MET QG 1 60 VAL QG 3.535 . 5.270 2.682 2.682 2.682 . 0 0 "[ ]" 1
26 1 1 MET HG2 1 59 ASP HA 3.400 . 5.000 3.134 3.134 3.134 . 0 0 "[ ]" 1
27 1 1 MET HG2 1 60 VAL MG1 3.915 . 6.030 4.189 4.189 4.189 . 0 0 "[ ]" 1
28 1 1 MET HG2 1 60 VAL MG2 3.915 . 6.030 2.943 2.943 2.943 . 0 0 "[ ]" 1
29 1 1 MET HG3 1 59 ASP HA 3.400 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
30 1 1 MET HG3 1 60 VAL MG1 3.915 . 6.030 3.755 3.755 3.755 . 0 0 "[ ]" 1
31 1 1 MET HG3 1 60 VAL MG2 3.915 . 6.030 3.441 3.441 3.441 . 0 0 "[ ]" 1
32 1 2 ARG H 1 2 ARG HB2 2.960 . 4.120 2.718 2.718 2.718 . 0 0 "[ ]" 1
33 1 2 ARG H 1 2 ARG HB3 2.960 . 4.120 3.706 3.706 3.706 . 0 0 "[ ]" 1
34 1 2 ARG H 1 2 ARG QD 3.840 . 5.880 4.080 4.080 4.080 . 0 0 "[ ]" 1
35 1 2 ARG H 1 3 LEU H 3.230 . 4.660 4.436 4.436 4.436 . 0 0 "[ ]" 1
36 1 2 ARG H 1 4 PHE QD 4.460 . 7.120 4.114 4.114 4.114 . 0 0 "[ ]" 1
37 1 2 ARG H 1 59 ASP HA 2.555 . 3.310 2.349 2.349 2.349 . 0 0 "[ ]" 1
38 1 2 ARG H 1 59 ASP QB 3.840 . 5.880 3.720 3.720 3.720 . 0 0 "[ ]" 1
39 1 2 ARG H 1 60 VAL H 2.700 . 3.600 3.072 3.072 3.072 . 0 0 "[ ]" 1
40 1 2 ARG HA 1 3 LEU H 2.375 . 2.950 2.492 2.492 2.492 . 0 0 "[ ]" 1
41 1 2 ARG HA 1 3 LEU HA 3.400 . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
42 1 2 ARG HA 1 4 PHE QD 4.460 . 7.120 5.006 5.006 5.006 . 0 0 "[ ]" 1
43 1 2 ARG HA 1 60 VAL QG 4.695 . 7.590 4.370 4.370 4.370 . 0 0 "[ ]" 1
44 1 2 ARG QB 1 3 LEU H 2.800 . 3.800 2.414 2.414 2.414 . 0 0 "[ ]" 1
45 1 2 ARG QB 1 3 LEU QB 4.280 . 6.760 4.484 4.484 4.484 . 0 0 "[ ]" 1
46 1 2 ARG HB2 1 3 LEU H 2.945 . 4.090 3.855 3.855 3.855 . 0 0 "[ ]" 1
47 1 2 ARG HB3 1 3 LEU H 2.945 . 4.090 2.439 2.439 2.439 . 0 0 "[ ]" 1
48 1 2 ARG QG 1 3 LEU H 3.840 . 5.880 3.207 3.207 3.207 . 0 0 "[ ]" 1
49 1 2 ARG QG 1 4 PHE QE 4.900 . 8.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
50 1 2 ARG O 1 60 VAL H 2.000 . 2.300 2.306 2.306 2.306 0.006 1 0 "[ ]" 1
51 1 2 ARG O 1 60 VAL N 3.000 2.700 3.300 3.271 3.271 3.271 . 0 0 "[ ]" 1
52 1 3 LEU H 1 3 LEU MD1 3.915 . 6.030 1.979 1.979 1.979 . 0 0 "[ ]" 1
53 1 3 LEU H 1 3 LEU MD2 3.915 . 6.030 4.158 4.158 4.158 . 0 0 "[ ]" 1
54 1 3 LEU H 1 3 LEU HG 3.060 . 4.320 3.173 3.173 3.173 . 0 0 "[ ]" 1
55 1 3 LEU H 1 4 PHE H 2.970 . 4.140 3.857 3.857 3.857 . 0 0 "[ ]" 1
56 1 3 LEU H 1 4 PHE QD 4.460 . 7.120 4.389 4.389 4.389 . 0 0 "[ ]" 1
57 1 3 LEU H 1 29 LYS HD2 3.400 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
58 1 3 LEU H 1 29 LYS HD3 3.400 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
59 1 3 LEU H 1 29 LYS QG 3.840 . 5.880 5.208 5.208 5.208 . 0 0 "[ ]" 1
60 1 3 LEU H 1 32 ARG QD 3.710 . 5.620 2.730 2.730 2.730 . 0 0 "[ ]" 1
61 1 3 LEU H 1 32 ARG QG 3.695 . 5.590 4.447 4.447 4.447 . 0 0 "[ ]" 1
62 1 3 LEU HA 1 3 LEU MD1 3.210 . 4.620 3.437 3.437 3.437 . 0 0 "[ ]" 1
63 1 3 LEU HA 1 3 LEU QD 2.955 . 4.110 3.059 3.059 3.059 . 0 0 "[ ]" 1
64 1 3 LEU HA 1 3 LEU MD2 3.210 . 4.620 3.431 3.431 3.431 . 0 0 "[ ]" 1
65 1 3 LEU HA 1 3 LEU HG 2.830 . 3.860 2.402 2.402 2.402 . 0 0 "[ ]" 1
66 1 3 LEU HA 1 4 PHE H 2.375 . 2.950 2.359 2.359 2.359 . 0 0 "[ ]" 1
67 1 3 LEU HA 1 4 PHE QD 4.460 . 7.120 4.277 4.277 4.277 . 0 0 "[ ]" 1
68 1 3 LEU HA 1 28 VAL HA 3.400 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
69 1 3 LEU HA 1 28 VAL QG 4.695 . 7.590 4.143 4.143 4.143 . 0 0 "[ ]" 1
70 1 3 LEU HA 1 60 VAL HB 3.245 . 4.690 4.258 4.258 4.258 . 0 0 "[ ]" 1
71 1 3 LEU HA 1 60 VAL MG1 3.915 . 6.030 4.796 4.796 4.796 . 0 0 "[ ]" 1
72 1 3 LEU HA 1 60 VAL QG 3.680 . 5.560 1.992 1.992 1.992 . 0 0 "[ ]" 1
73 1 3 LEU HA 1 60 VAL MG2 3.915 . 6.030 1.994 1.994 1.994 . 0 0 "[ ]" 1
74 1 3 LEU QB 1 4 PHE H 3.355 . 4.910 3.825 3.825 3.825 . 0 0 "[ ]" 1
75 1 3 LEU QB 1 28 VAL HA 3.840 . 5.880 2.133 2.133 2.133 . 0 0 "[ ]" 1
76 1 3 LEU QB 1 32 ARG QG 4.280 . 6.760 4.686 4.686 4.686 . 0 0 "[ ]" 1
77 1 3 LEU QD 1 29 LYS HA 4.700 . 7.600 4.424 4.424 4.424 . 0 0 "[ ]" 1
78 1 3 LEU QD 1 29 LYS QB 4.030 . 6.260 3.313 3.313 3.313 . 0 0 "[ ]" 1
79 1 3 LEU QD 1 29 LYS QE 5.135 . 8.470 3.881 3.881 3.881 . 0 0 "[ ]" 1
80 1 3 LEU MD1 1 28 VAL HA 3.915 . 6.030 4.244 4.244 4.244 . 0 0 "[ ]" 1
81 1 3 LEU MD1 1 29 LYS HB2 4.790 . 7.780 3.461 3.461 3.461 . 0 0 "[ ]" 1
82 1 3 LEU MD1 1 29 LYS HB3 4.790 . 7.780 4.834 4.834 4.834 . 0 0 "[ ]" 1
83 1 3 LEU MD2 1 28 VAL HA 3.915 . 6.030 3.362 3.362 3.362 . 0 0 "[ ]" 1
84 1 3 LEU MD2 1 29 LYS HB2 4.790 . 7.780 4.834 4.834 4.834 . 0 0 "[ ]" 1
85 1 3 LEU MD2 1 29 LYS HB3 4.790 . 7.780 6.213 6.213 6.213 . 0 0 "[ ]" 1
86 1 3 LEU HG 1 4 PHE H 3.400 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
87 1 3 LEU HG 1 28 VAL HA 3.400 . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
88 1 3 LEU O 1 29 LYS H 2.000 . 2.300 2.324 2.324 2.324 0.024 1 0 "[ ]" 1
89 1 3 LEU O 1 29 LYS N 3.000 2.700 3.300 3.291 3.291 3.291 . 0 0 "[ ]" 1
90 1 4 PHE H 1 28 VAL QG 4.475 . 7.150 4.041 4.041 4.041 . 0 0 "[ ]" 1
91 1 4 PHE H 1 32 ARG QB 3.840 . 5.880 4.353 4.353 4.353 . 0 0 "[ ]" 1
92 1 4 PHE H 1 60 VAL H 3.295 . 4.790 3.627 3.627 3.627 . 0 0 "[ ]" 1
93 1 4 PHE H 1 60 VAL QG 4.460 . 7.120 3.027 3.027 3.027 . 0 0 "[ ]" 1
94 1 4 PHE H 1 60 VAL O 2.000 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 1
95 1 4 PHE H 1 61 ILE HA 2.815 . 3.830 3.574 3.574 3.574 . 0 0 "[ ]" 1
96 1 4 PHE H 1 61 ILE QG 3.840 . 5.880 4.336 4.336 4.336 . 0 0 "[ ]" 1
97 1 4 PHE H 1 62 LEU H 3.205 . 4.610 4.081 4.081 4.081 . 0 0 "[ ]" 1
98 1 4 PHE HA 1 5 GLY H 2.700 . 3.600 2.284 2.284 2.284 . 0 0 "[ ]" 1
99 1 4 PHE HA 1 28 VAL MG1 3.915 . 6.030 3.057 3.057 3.057 . 0 0 "[ ]" 1
100 1 4 PHE HA 1 28 VAL MG2 3.915 . 6.030 4.483 4.483 4.483 . 0 0 "[ ]" 1
101 1 4 PHE HA 1 32 ARG HA 3.400 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
102 1 4 PHE HA 1 32 ARG HB2 3.400 . 5.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
103 1 4 PHE HA 1 32 ARG QB 3.330 . 4.860 2.169 2.169 2.169 . 0 0 "[ ]" 1
104 1 4 PHE HA 1 32 ARG HB3 3.400 . 5.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
105 1 4 PHE HA 1 32 ARG HD2 3.400 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
106 1 4 PHE HA 1 32 ARG HD3 3.400 . 5.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
107 1 4 PHE HA 1 32 ARG HG2 3.400 . 5.000 4.840 4.840 4.840 . 0 0 "[ ]" 1
108 1 4 PHE HA 1 32 ARG HG3 3.400 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
109 1 4 PHE HA 1 51 LEU MD1 3.915 . 6.030 4.120 4.120 4.120 . 0 0 "[ ]" 1
110 1 4 PHE HB2 1 5 GLY H 3.245 . 4.690 4.161 4.161 4.161 . 0 0 "[ ]" 1
111 1 4 PHE HB2 1 51 LEU MD1 3.915 . 6.030 3.497 3.497 3.497 . 0 0 "[ ]" 1
112 1 4 PHE HB2 1 51 LEU MD2 3.915 . 6.030 3.887 3.887 3.887 . 0 0 "[ ]" 1
113 1 4 PHE HB2 1 55 VAL QG 4.695 . 7.590 3.287 3.287 3.287 . 0 0 "[ ]" 1
114 1 4 PHE HB2 1 61 ILE HA 3.400 . 5.000 2.798 2.798 2.798 . 0 0 "[ ]" 1
115 1 4 PHE HB2 1 61 ILE MG 3.915 . 6.030 3.844 3.844 3.844 . 0 0 "[ ]" 1
116 1 4 PHE HB3 1 5 GLY H 2.775 . 3.750 2.997 2.997 2.997 . 0 0 "[ ]" 1
117 1 4 PHE HB3 1 51 LEU MD1 3.915 . 6.030 2.125 2.125 2.125 . 0 0 "[ ]" 1
118 1 4 PHE HB3 1 51 LEU MD2 3.915 . 6.030 3.110 3.110 3.110 . 0 0 "[ ]" 1
119 1 4 PHE HB3 1 51 LEU HG 3.400 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
120 1 4 PHE HB3 1 55 VAL QG 4.695 . 7.590 3.592 3.592 3.592 . 0 0 "[ ]" 1
121 1 4 PHE HB3 1 61 ILE MG 3.890 . 5.980 3.645 3.645 3.645 . 0 0 "[ ]" 1
122 1 4 PHE QD 1 5 GLY H 4.450 . 7.100 3.609 3.609 3.609 . 0 0 "[ ]" 1
123 1 4 PHE QD 1 32 ARG H 4.460 . 7.120 5.978 5.978 5.978 . 0 0 "[ ]" 1
124 1 4 PHE QD 1 32 ARG HA 4.460 . 7.120 3.965 3.965 3.965 . 0 0 "[ ]" 1
125 1 4 PHE QD 1 32 ARG HB2 4.460 . 7.120 3.845 3.845 3.845 . 0 0 "[ ]" 1
126 1 4 PHE QD 1 32 ARG HB3 4.460 . 7.120 2.626 2.626 2.626 . 0 0 "[ ]" 1
127 1 4 PHE QD 1 32 ARG HD2 4.460 . 7.120 4.395 4.395 4.395 . 0 0 "[ ]" 1
128 1 4 PHE QD 1 32 ARG HD3 4.460 . 7.120 3.234 3.234 3.234 . 0 0 "[ ]" 1
129 1 4 PHE QD 1 32 ARG HG2 4.460 . 7.120 4.807 4.807 4.807 . 0 0 "[ ]" 1
130 1 4 PHE QD 1 32 ARG HG3 4.460 . 7.120 5.255 5.255 5.255 . 0 0 "[ ]" 1
131 1 4 PHE QD 1 33 ILE HA 4.460 . 7.120 5.409 5.409 5.409 . 0 0 "[ ]" 1
132 1 4 PHE QD 1 51 LEU HA 4.460 . 7.120 4.686 4.686 4.686 . 0 0 "[ ]" 1
133 1 4 PHE QD 1 51 LEU MD1 4.675 . 7.550 2.369 2.369 2.369 . 0 0 "[ ]" 1
134 1 4 PHE QD 1 51 LEU MD2 4.975 . 8.150 4.288 4.288 4.288 . 0 0 "[ ]" 1
135 1 4 PHE QD 1 54 LYS HD2 4.460 . 7.120 5.187 5.187 5.187 . 0 0 "[ ]" 1
136 1 4 PHE QD 1 54 LYS HD3 4.460 . 7.120 5.415 5.415 5.415 . 0 0 "[ ]" 1
137 1 4 PHE QD 1 55 VAL HA 4.460 . 7.120 3.815 3.815 3.815 . 0 0 "[ ]" 1
138 1 4 PHE QD 1 55 VAL HB 4.460 . 7.120 4.949 4.949 4.949 . 0 0 "[ ]" 1
139 1 4 PHE QD 1 55 VAL MG1 4.975 . 8.150 3.617 3.617 3.617 . 0 0 "[ ]" 1
140 1 4 PHE QD 1 55 VAL QG 4.835 . 7.870 3.575 3.575 3.575 . 0 0 "[ ]" 1
141 1 4 PHE QD 1 55 VAL MG2 4.975 . 8.150 5.593 5.593 5.593 . 0 0 "[ ]" 1
142 1 4 PHE QD 1 59 ASP HA 4.460 . 7.120 4.662 4.662 4.662 . 0 0 "[ ]" 1
143 1 4 PHE QD 1 60 VAL H 4.460 . 7.120 3.907 3.907 3.907 . 0 0 "[ ]" 1
144 1 4 PHE QD 1 61 ILE HA 4.460 . 7.120 4.695 4.695 4.695 . 0 0 "[ ]" 1
145 1 4 PHE QD 1 61 ILE MD 4.975 . 8.150 5.318 5.318 5.318 . 0 0 "[ ]" 1
146 1 4 PHE QD 1 61 ILE MG 4.975 . 8.150 5.091 5.091 5.091 . 0 0 "[ ]" 1
147 1 4 PHE QE 1 51 LEU MD1 4.975 . 8.150 3.637 3.637 3.637 . 0 0 "[ ]" 1
148 1 4 PHE QE 1 51 LEU MD2 4.975 . 8.150 5.805 5.805 5.805 . 0 0 "[ ]" 1
149 1 4 PHE QE 1 55 VAL HA 4.460 . 7.120 3.549 3.549 3.549 . 0 0 "[ ]" 1
150 1 4 PHE N 1 60 VAL O 3.000 2.700 3.300 3.074 3.074 3.074 . 0 0 "[ ]" 1
151 1 4 PHE O 1 62 LEU H 2.000 . 2.300 1.871 1.871 1.871 . 0 0 "[ ]" 1
152 1 4 PHE O 1 62 LEU N 3.000 2.700 3.300 2.787 2.787 2.787 . 0 0 "[ ]" 1
153 1 5 GLY H 1 6 TYR H 3.255 . 4.710 4.317 4.317 4.317 . 0 0 "[ ]" 1
154 1 5 GLY H 1 28 VAL MG1 3.370 . 4.940 2.488 2.488 2.488 . 0 0 "[ ]" 1
155 1 5 GLY H 1 28 VAL MG2 3.370 . 4.940 3.881 3.881 3.881 . 0 0 "[ ]" 1
156 1 5 GLY H 1 32 ARG HB2 3.400 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
157 1 5 GLY H 1 32 ARG HB3 3.400 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
158 1 5 GLY H 1 32 ARG O 2.000 . 2.300 2.248 2.248 2.248 . 0 0 "[ ]" 1
159 1 5 GLY H 1 33 ILE HA 2.790 . 3.780 3.295 3.295 3.295 . 0 0 "[ ]" 1
160 1 5 GLY H 1 34 PHE H 3.400 . 5.000 3.378 3.378 3.378 . 0 0 "[ ]" 1
161 1 5 GLY H 1 34 PHE QD 4.460 . 7.120 4.042 4.042 4.042 . 0 0 "[ ]" 1
162 1 5 GLY H 1 51 LEU MD1 3.915 . 6.030 3.750 3.750 3.750 . 0 0 "[ ]" 1
163 1 5 GLY H 1 51 LEU MD2 3.915 . 6.030 4.721 4.721 4.721 . 0 0 "[ ]" 1
164 1 5 GLY QA 1 23 LEU QD 3.655 . 5.510 2.228 2.228 2.228 . 0 0 "[ ]" 1
165 1 5 GLY QA 1 28 VAL QG 3.650 . 5.500 1.772 1.772 1.772 0.028 1 0 "[ ]" 1
166 1 5 GLY QA 1 33 ILE HA 3.840 . 5.880 3.754 3.754 3.754 . 0 0 "[ ]" 1
167 1 5 GLY QA 1 33 ILE MD 4.355 . 6.910 3.086 3.086 3.086 . 0 0 "[ ]" 1
168 1 5 GLY QA 1 61 ILE MG 4.355 . 6.910 3.612 3.612 3.612 . 0 0 "[ ]" 1
169 1 5 GLY HA2 1 6 TYR H 2.685 . 3.570 2.175 2.175 2.175 . 0 0 "[ ]" 1
170 1 5 GLY HA2 1 23 LEU MD1 3.915 . 6.030 3.523 3.523 3.523 . 0 0 "[ ]" 1
171 1 5 GLY HA2 1 23 LEU MD2 3.915 . 6.030 4.045 4.045 4.045 . 0 0 "[ ]" 1
172 1 5 GLY HA2 1 28 VAL MG1 3.915 . 6.030 2.986 2.986 2.986 . 0 0 "[ ]" 1
173 1 5 GLY HA2 1 28 VAL MG2 3.915 . 6.030 2.684 2.684 2.684 . 0 0 "[ ]" 1
174 1 5 GLY HA3 1 6 TYR H 2.685 . 3.570 3.178 3.178 3.178 . 0 0 "[ ]" 1
175 1 5 GLY HA3 1 23 LEU MD1 3.915 . 6.030 2.288 2.288 2.288 . 0 0 "[ ]" 1
176 1 5 GLY HA3 1 23 LEU MD2 3.915 . 6.030 3.620 3.620 3.620 . 0 0 "[ ]" 1
177 1 5 GLY HA3 1 28 VAL MG1 3.915 . 6.030 1.870 1.870 1.870 . 0 0 "[ ]" 1
178 1 5 GLY HA3 1 28 VAL MG2 3.915 . 6.030 2.429 2.429 2.429 . 0 0 "[ ]" 1
179 1 5 GLY N 1 32 ARG O 3.000 2.700 3.300 3.133 3.133 3.133 . 0 0 "[ ]" 1
180 1 5 GLY O 1 34 PHE H 2.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 1
181 1 5 GLY O 1 34 PHE N 3.000 2.700 3.300 3.041 3.041 3.041 . 0 0 "[ ]" 1
182 1 6 TYR H 1 23 LEU MD1 3.355 . 4.910 3.517 3.517 3.517 . 0 0 "[ ]" 1
183 1 6 TYR H 1 23 LEU MD2 3.355 . 4.910 3.715 3.715 3.715 . 0 0 "[ ]" 1
184 1 6 TYR H 1 51 LEU MD1 3.915 . 6.030 4.862 4.862 4.862 . 0 0 "[ ]" 1
185 1 6 TYR H 1 61 ILE MG 3.705 . 5.610 3.376 3.376 3.376 . 0 0 "[ ]" 1
186 1 6 TYR H 1 62 LEU O 2.000 . 2.300 2.224 2.224 2.224 . 0 0 "[ ]" 1
187 1 6 TYR H 1 63 VAL QG 4.695 . 7.590 3.341 3.341 3.341 . 0 0 "[ ]" 1
188 1 6 TYR HA 1 7 ALA H 2.595 . 3.390 2.243 2.243 2.243 . 0 0 "[ ]" 1
189 1 6 TYR HA 1 7 ALA MB 3.850 . 5.900 3.920 3.920 3.920 . 0 0 "[ ]" 1
190 1 6 TYR HA 1 23 LEU QD 4.700 . 7.600 3.588 3.588 3.588 . 0 0 "[ ]" 1
191 1 6 TYR HA 1 33 ILE MG 3.915 . 6.030 4.779 4.779 4.779 . 0 0 "[ ]" 1
192 1 6 TYR HA 1 34 PHE H 2.815 . 3.830 3.581 3.581 3.581 . 0 0 "[ ]" 1
193 1 6 TYR HA 1 35 THR HA 3.010 . 4.220 4.158 4.158 4.158 . 0 0 "[ ]" 1
194 1 6 TYR HA 1 51 LEU MD1 3.915 . 6.030 3.965 3.965 3.965 . 0 0 "[ ]" 1
195 1 6 TYR HA 1 51 LEU MD2 3.915 . 6.030 3.763 3.763 3.763 . 0 0 "[ ]" 1
196 1 6 TYR HA 1 61 ILE MG 3.915 . 6.030 4.610 4.610 4.610 . 0 0 "[ ]" 1
197 1 6 TYR HA 1 63 VAL QG 4.695 . 7.590 4.696 4.696 4.696 . 0 0 "[ ]" 1
198 1 6 TYR QB 1 48 LEU QD 4.675 . 7.550 4.803 4.803 4.803 . 0 0 "[ ]" 1
199 1 6 TYR QB 1 51 LEU MD1 4.355 . 6.910 3.859 3.859 3.859 . 0 0 "[ ]" 1
200 1 6 TYR QB 1 63 VAL QG 4.560 . 7.320 2.355 2.355 2.355 . 0 0 "[ ]" 1
201 1 6 TYR HB2 1 48 LEU MD1 5.485 . 9.170 6.350 6.350 6.350 . 0 0 "[ ]" 1
202 1 6 TYR HB2 1 48 LEU MD2 5.485 . 9.170 5.568 5.568 5.568 . 0 0 "[ ]" 1
203 1 6 TYR HB2 1 51 LEU MD2 3.915 . 6.030 2.509 2.509 2.509 . 0 0 "[ ]" 1
204 1 6 TYR HB2 1 61 ILE MG 3.915 . 6.030 3.021 3.021 3.021 . 0 0 "[ ]" 1
205 1 6 TYR HB2 1 63 VAL MG1 5.475 . 9.150 4.409 4.409 4.409 . 0 0 "[ ]" 1
206 1 6 TYR HB2 1 63 VAL MG2 5.475 . 9.150 3.408 3.408 3.408 . 0 0 "[ ]" 1
207 1 6 TYR HB3 1 48 LEU MD1 5.485 . 9.170 7.033 7.033 7.033 . 0 0 "[ ]" 1
208 1 6 TYR HB3 1 48 LEU MD2 5.485 . 9.170 5.872 5.872 5.872 . 0 0 "[ ]" 1
209 1 6 TYR HB3 1 51 LEU MD2 3.915 . 6.030 3.946 3.946 3.946 . 0 0 "[ ]" 1
210 1 6 TYR HB3 1 61 ILE MG 3.915 . 6.030 3.546 3.546 3.546 . 0 0 "[ ]" 1
211 1 6 TYR HB3 1 63 VAL MG1 5.475 . 9.150 2.988 2.988 2.988 . 0 0 "[ ]" 1
212 1 6 TYR HB3 1 63 VAL MG2 5.475 . 9.150 2.544 2.544 2.544 . 0 0 "[ ]" 1
213 1 6 TYR QD 1 7 ALA H 4.470 . 7.140 2.700 2.700 2.700 . 0 0 "[ ]" 1
214 1 6 TYR QD 1 7 ALA MB 4.985 . 8.170 4.610 4.610 4.610 . 0 0 "[ ]" 1
215 1 6 TYR QD 1 8 ARG QD 4.910 . 8.020 5.657 5.657 5.657 . 0 0 "[ ]" 1
216 1 6 TYR QD 1 34 PHE HA 4.470 . 7.140 5.029 5.029 5.029 . 0 0 "[ ]" 1
217 1 6 TYR QD 1 34 PHE HB2 4.470 . 7.140 3.311 3.311 3.311 . 0 0 "[ ]" 1
218 1 6 TYR QD 1 34 PHE HB3 4.470 . 7.140 3.033 3.033 3.033 . 0 0 "[ ]" 1
219 1 6 TYR QD 1 35 THR H 4.470 . 7.140 5.406 5.406 5.406 . 0 0 "[ ]" 1
220 1 6 TYR QD 1 35 THR HA 4.470 . 7.140 4.230 4.230 4.230 . 0 0 "[ ]" 1
221 1 6 TYR QD 1 47 GLY QA 4.910 . 8.020 2.699 2.699 2.699 . 0 0 "[ ]" 1
222 1 6 TYR QD 1 48 LEU H 4.470 . 7.140 3.450 3.450 3.450 . 0 0 "[ ]" 1
223 1 6 TYR QD 1 48 LEU HA 4.470 . 7.140 4.129 4.129 4.129 . 0 0 "[ ]" 1
224 1 6 TYR QD 1 48 LEU MD1 4.985 . 8.170 4.758 4.758 4.758 . 0 0 "[ ]" 1
225 1 6 TYR QD 1 48 LEU MD2 4.985 . 8.170 4.295 4.295 4.295 . 0 0 "[ ]" 1
226 1 6 TYR QD 1 51 LEU MD1 4.985 . 8.170 3.997 3.997 3.997 . 0 0 "[ ]" 1
227 1 6 TYR QD 1 51 LEU MD2 4.985 . 8.170 3.471 3.471 3.471 . 0 0 "[ ]" 1
228 1 6 TYR QD 1 51 LEU HG 4.470 . 7.140 6.155 6.155 6.155 . 0 0 "[ ]" 1
229 1 6 TYR QD 1 61 ILE MG 4.985 . 8.170 4.450 4.450 4.450 . 0 0 "[ ]" 1
230 1 6 TYR QD 1 63 VAL MG1 4.985 . 8.170 2.583 2.583 2.583 . 0 0 "[ ]" 1
231 1 6 TYR QD 1 63 VAL MG2 4.985 . 8.170 3.274 3.274 3.274 . 0 0 "[ ]" 1
232 1 6 TYR QD 1 69 LEU HA 4.470 . 7.140 4.929 4.929 4.929 . 0 0 "[ ]" 1
233 1 6 TYR QD 1 69 LEU MD1 4.985 . 8.170 2.752 2.752 2.752 . 0 0 "[ ]" 1
234 1 6 TYR QD 1 69 LEU MD2 4.985 . 8.170 4.411 4.411 4.411 . 0 0 "[ ]" 1
235 1 6 TYR QE 1 8 ARG HA 4.465 . 7.130 5.248 5.248 5.248 . 0 0 "[ ]" 1
236 1 6 TYR QE 1 8 ARG HB2 4.465 . 7.130 3.781 3.781 3.781 . 0 0 "[ ]" 1
237 1 6 TYR QE 1 8 ARG HB3 4.465 . 7.130 4.706 4.706 4.706 . 0 0 "[ ]" 1
238 1 6 TYR QE 1 8 ARG QD 4.905 . 8.010 3.995 3.995 3.995 . 0 0 "[ ]" 1
239 1 6 TYR QE 1 35 THR HA 4.465 . 7.130 4.623 4.623 4.623 . 0 0 "[ ]" 1
240 1 6 TYR QE 1 47 GLY QA 4.905 . 8.010 1.999 1.999 1.999 . 0 0 "[ ]" 1
241 1 6 TYR QE 1 48 LEU H 4.465 . 7.130 2.102 2.102 2.102 . 0 0 "[ ]" 1
242 1 6 TYR QE 1 48 LEU HA 4.465 . 7.130 4.379 4.379 4.379 . 0 0 "[ ]" 1
243 1 6 TYR QE 1 48 LEU HB2 4.465 . 7.130 5.074 5.074 5.074 . 0 0 "[ ]" 1
244 1 6 TYR QE 1 48 LEU HB3 4.465 . 7.130 4.234 4.234 4.234 . 0 0 "[ ]" 1
245 1 6 TYR QE 1 48 LEU MD1 4.980 . 8.160 3.284 3.284 3.284 . 0 0 "[ ]" 1
246 1 6 TYR QE 1 48 LEU QD 4.800 . 7.800 2.909 2.909 2.909 . 0 0 "[ ]" 1
247 1 6 TYR QE 1 48 LEU MD2 4.980 . 8.160 3.248 3.248 3.248 . 0 0 "[ ]" 1
248 1 6 TYR QE 1 48 LEU HG 4.465 . 7.130 2.667 2.667 2.667 . 0 0 "[ ]" 1
249 1 6 TYR QE 1 51 LEU MD1 4.980 . 8.160 5.543 5.543 5.543 . 0 0 "[ ]" 1
250 1 6 TYR QE 1 51 LEU MD2 4.980 . 8.160 4.905 4.905 4.905 . 0 0 "[ ]" 1
251 1 6 TYR QE 1 63 VAL QG 5.760 . 9.720 3.956 3.956 3.956 . 0 0 "[ ]" 1
252 1 6 TYR QE 1 69 LEU HA 4.465 . 7.130 3.619 3.619 3.619 . 0 0 "[ ]" 1
253 1 6 TYR QE 1 69 LEU MD1 4.980 . 8.160 2.630 2.630 2.630 . 0 0 "[ ]" 1
254 1 6 TYR QE 1 69 LEU MD2 4.980 . 8.160 4.439 4.439 4.439 . 0 0 "[ ]" 1
255 1 6 TYR N 1 62 LEU O 3.000 2.700 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 1
256 1 7 ALA H 1 34 PHE O 2.000 . 2.300 2.229 2.229 2.229 . 0 0 "[ ]" 1
257 1 7 ALA H 1 35 THR HA 2.800 . 3.800 2.211 2.211 2.211 . 0 0 "[ ]" 1
258 1 7 ALA HA 1 8 ARG H 2.515 . 3.230 2.344 2.344 2.344 . 0 0 "[ ]" 1
259 1 7 ALA HA 1 8 ARG QB 3.685 . 5.570 3.990 3.990 3.990 . 0 0 "[ ]" 1
260 1 7 ALA HA 1 23 LEU MD1 3.915 . 6.030 3.162 3.162 3.162 . 0 0 "[ ]" 1
261 1 7 ALA HA 1 23 LEU QD 3.770 . 5.740 2.777 2.777 2.777 . 0 0 "[ ]" 1
262 1 7 ALA HA 1 23 LEU MD2 3.915 . 6.030 3.077 3.077 3.077 . 0 0 "[ ]" 1
263 1 7 ALA HA 1 23 LEU HG 3.400 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
264 1 7 ALA HA 1 35 THR HA 3.400 . 5.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
265 1 7 ALA MB 1 8 ARG HA 3.915 . 6.030 3.792 3.792 3.792 . 0 0 "[ ]" 1
266 1 7 ALA MB 1 16 LEU QB 4.355 . 6.910 4.954 4.954 4.954 . 0 0 "[ ]" 1
267 1 7 ALA MB 1 19 GLN HA 3.915 . 6.030 4.151 4.151 4.151 . 0 0 "[ ]" 1
268 1 7 ALA MB 1 19 GLN HB2 3.575 . 5.350 3.005 3.005 3.005 . 0 0 "[ ]" 1
269 1 7 ALA MB 1 19 GLN QB 3.470 . 5.140 2.028 2.028 2.028 . 0 0 "[ ]" 1
270 1 7 ALA MB 1 19 GLN HB3 3.575 . 5.350 2.061 2.061 2.061 . 0 0 "[ ]" 1
271 1 7 ALA MB 1 19 GLN HG2 3.915 . 6.030 4.281 4.281 4.281 . 0 0 "[ ]" 1
272 1 7 ALA MB 1 19 GLN QG 3.715 . 5.630 3.300 3.300 3.300 . 0 0 "[ ]" 1
273 1 7 ALA MB 1 19 GLN HG3 3.915 . 6.030 3.432 3.432 3.432 . 0 0 "[ ]" 1
274 1 7 ALA MB 1 20 VAL H 3.915 . 6.030 3.912 3.912 3.912 . 0 0 "[ ]" 1
275 1 7 ALA MB 1 20 VAL HA 3.915 . 6.030 3.765 3.765 3.765 . 0 0 "[ ]" 1
276 1 7 ALA MB 1 20 VAL MG2 3.415 . 5.030 3.377 3.377 3.377 . 0 0 "[ ]" 1
277 1 7 ALA MB 1 22 ALA MB 4.430 . 7.060 4.579 4.579 4.579 . 0 0 "[ ]" 1
278 1 7 ALA MB 1 23 LEU MD1 4.170 . 6.540 1.860 1.860 1.860 . 0 0 "[ ]" 1
279 1 7 ALA MB 1 23 LEU QD 4.010 . 6.220 1.811 1.811 1.811 . 0 0 "[ ]" 1
280 1 7 ALA MB 1 23 LEU MD2 4.170 . 6.540 2.492 2.492 2.492 . 0 0 "[ ]" 1
281 1 7 ALA MB 1 23 LEU HG 3.915 . 6.030 3.102 3.102 3.102 . 0 0 "[ ]" 1
282 1 7 ALA MB 1 33 ILE MD 4.430 . 7.060 4.017 4.017 4.017 . 0 0 "[ ]" 1
283 1 7 ALA MB 1 33 ILE MG 4.430 . 7.060 2.702 2.702 2.702 . 0 0 "[ ]" 1
284 1 7 ALA MB 1 35 THR HA 3.915 . 6.030 2.067 2.067 2.067 . 0 0 "[ ]" 1
285 1 7 ALA MB 1 35 THR HB 3.915 . 6.030 2.252 2.252 2.252 . 0 0 "[ ]" 1
286 1 7 ALA N 1 34 PHE O 3.000 2.700 3.300 3.194 3.194 3.194 . 0 0 "[ ]" 1
287 1 7 ALA O 1 36 ASP H 2.000 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 1
288 1 7 ALA O 1 36 ASP N 3.000 2.700 3.300 2.653 2.653 2.653 0.047 1 0 "[ ]" 1
289 1 8 ARG H 1 8 ARG QG 3.840 . 5.880 4.156 4.156 4.156 . 0 0 "[ ]" 1
290 1 8 ARG H 1 9 VAL H 3.400 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
291 1 8 ARG H 1 9 VAL QG 4.615 . 7.430 4.229 4.229 4.229 . 0 0 "[ ]" 1
292 1 8 ARG HA 1 8 ARG QD 3.840 . 5.880 3.582 3.582 3.582 . 0 0 "[ ]" 1
293 1 8 ARG HA 1 9 VAL H 2.605 . 3.410 2.224 2.224 2.224 . 0 0 "[ ]" 1
294 1 8 ARG HA 1 9 VAL QG 4.695 . 7.590 3.357 3.357 3.357 . 0 0 "[ ]" 1
295 1 8 ARG HA 1 35 THR HA 3.400 . 5.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
296 1 8 ARG HA 1 38 ALA MB 3.915 . 6.030 4.232 4.232 4.232 . 0 0 "[ ]" 1
297 1 8 ARG QB 1 8 ARG QD 2.725 . 3.650 2.164 2.164 2.164 . 0 0 "[ ]" 1
298 1 8 ARG HB2 1 8 ARG QD 2.875 . 3.950 2.204 2.204 2.204 . 0 0 "[ ]" 1
299 1 8 ARG HB2 1 9 VAL H 3.400 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
300 1 8 ARG HB3 1 8 ARG QD 2.875 . 3.950 3.151 3.151 3.151 . 0 0 "[ ]" 1
301 1 8 ARG HB3 1 9 VAL H 3.400 . 5.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
302 1 8 ARG QD 1 36 ASP H 3.840 . 5.880 4.874 4.874 4.874 . 0 0 "[ ]" 1
303 1 8 ARG QD 1 36 ASP HB2 3.840 . 5.880 2.601 2.601 2.601 . 0 0 "[ ]" 1
304 1 8 ARG QD 1 36 ASP HB3 3.840 . 5.880 2.681 2.681 2.681 . 0 0 "[ ]" 1
305 1 8 ARG QD 1 38 ALA HA 3.435 . 5.070 4.363 4.363 4.363 . 0 0 "[ ]" 1
306 1 8 ARG QD 1 38 ALA MB 4.350 . 6.900 2.390 2.390 2.390 . 0 0 "[ ]" 1
307 1 8 ARG QD 1 44 ASP QB 4.275 . 6.750 4.900 4.900 4.900 . 0 0 "[ ]" 1
308 1 8 ARG QD 1 45 ARG H 3.840 . 5.880 5.297 5.297 5.297 . 0 0 "[ ]" 1
309 1 8 ARG QD 1 45 ARG HA 3.840 . 5.880 3.904 3.904 3.904 . 0 0 "[ ]" 1
310 1 8 ARG QD 1 48 LEU QD 5.135 . 8.470 4.392 4.392 4.392 . 0 0 "[ ]" 1
311 1 8 ARG QG 1 9 VAL H 3.840 . 5.880 2.564 2.564 2.564 . 0 0 "[ ]" 1
312 1 8 ARG QG 1 9 VAL QG 5.130 . 8.460 3.215 3.215 3.215 . 0 0 "[ ]" 1
313 1 8 ARG QG 1 36 ASP H 3.840 . 5.880 3.937 3.937 3.937 . 0 0 "[ ]" 1
314 1 8 ARG QG 1 36 ASP HB2 3.840 . 5.880 2.529 2.529 2.529 . 0 0 "[ ]" 1
315 1 8 ARG QG 1 36 ASP HB3 3.840 . 5.880 2.595 2.595 2.595 . 0 0 "[ ]" 1
316 1 8 ARG QG 1 38 ALA HA 3.840 . 5.880 4.347 4.347 4.347 . 0 0 "[ ]" 1
317 1 8 ARG QG 1 44 ASP QB 4.275 . 6.750 4.995 4.995 4.995 . 0 0 "[ ]" 1
318 1 9 VAL H 1 9 VAL MG1 3.340 . 4.880 2.365 2.365 2.365 . 0 0 "[ ]" 1
319 1 9 VAL H 1 9 VAL MG2 3.340 . 4.880 1.950 1.950 1.950 . 0 0 "[ ]" 1
320 1 9 VAL HA 1 10 SER H 2.400 . 3.000 2.235 2.235 2.235 . 0 0 "[ ]" 1
321 1 9 VAL HA 1 10 SER HA 3.400 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
322 1 9 VAL HA 1 38 ALA MB 3.915 . 6.030 4.812 4.812 4.812 . 0 0 "[ ]" 1
323 1 9 VAL HB 1 10 SER H 2.570 . 3.340 2.886 2.886 2.886 . 0 0 "[ ]" 1
324 1 9 VAL HB 1 11 THR MG 3.915 . 6.030 3.797 3.797 3.797 . 0 0 "[ ]" 1
325 1 9 VAL HB 1 15 SER QB 3.840 . 5.880 2.087 2.087 2.087 . 0 0 "[ ]" 1
326 1 9 VAL HB 1 16 LEU HA 3.285 . 4.770 4.762 4.762 4.762 . 0 0 "[ ]" 1
327 1 9 VAL HB 1 16 LEU QB 3.840 . 5.880 4.261 4.261 4.261 . 0 0 "[ ]" 1
328 1 9 VAL HB 1 37 LYS HA 3.400 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
329 1 9 VAL HB 1 38 ALA MB 3.915 . 6.030 4.745 4.745 4.745 . 0 0 "[ ]" 1
330 1 9 VAL QG 1 10 SER H 3.810 . 5.820 3.397 3.397 3.397 . 0 0 "[ ]" 1
331 1 9 VAL QG 1 10 SER HA 4.695 . 7.590 3.885 3.885 3.885 . 0 0 "[ ]" 1
332 1 9 VAL QG 1 11 THR H 4.695 . 7.590 4.242 4.242 4.242 . 0 0 "[ ]" 1
333 1 9 VAL QG 1 11 THR HA 4.695 . 7.590 5.571 5.571 5.571 . 0 0 "[ ]" 1
334 1 9 VAL QG 1 15 SER QB 3.625 . 5.450 2.110 2.110 2.110 . 0 0 "[ ]" 1
335 1 9 VAL QG 1 16 LEU HA 3.680 . 5.560 2.184 2.184 2.184 . 0 0 "[ ]" 1
336 1 9 VAL QG 1 16 LEU QB 4.345 . 6.890 1.959 1.959 1.959 . 0 0 "[ ]" 1
337 1 9 VAL QG 1 19 GLN QB 4.515 . 7.230 3.376 3.376 3.376 . 0 0 "[ ]" 1
338 1 9 VAL QG 1 19 GLN QG 3.960 . 6.120 2.866 2.866 2.866 . 0 0 "[ ]" 1
339 1 9 VAL QG 1 35 THR HA 4.695 . 7.590 5.173 5.173 5.173 . 0 0 "[ ]" 1
340 1 9 VAL QG 1 35 THR MG 4.650 . 7.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
341 1 9 VAL QG 1 37 LYS H 4.695 . 7.590 3.989 3.989 3.989 . 0 0 "[ ]" 1
342 1 9 VAL QG 1 37 LYS HA 3.565 . 5.330 1.905 1.905 1.905 . 0 0 "[ ]" 1
343 1 9 VAL QG 1 37 LYS QB 5.135 . 8.470 3.260 3.260 3.260 . 0 0 "[ ]" 1
344 1 9 VAL QG 1 37 LYS QE 5.130 . 8.460 3.563 3.563 3.563 . 0 0 "[ ]" 1
345 1 9 VAL QG 1 38 ALA H 3.990 . 6.180 1.935 1.935 1.935 . 0 0 "[ ]" 1
346 1 9 VAL QG 1 38 ALA HA 4.695 . 7.590 3.965 3.965 3.965 . 0 0 "[ ]" 1
347 1 9 VAL QG 1 39 SER H 4.695 . 7.590 1.921 1.921 1.921 . 0 0 "[ ]" 1
348 1 9 VAL MG1 1 15 SER HB2 3.915 . 6.030 2.139 2.139 2.139 . 0 0 "[ ]" 1
349 1 9 VAL MG1 1 15 SER HB3 3.915 . 6.030 3.655 3.655 3.655 . 0 0 "[ ]" 1
350 1 9 VAL MG1 1 16 LEU HA 3.915 . 6.030 2.187 2.187 2.187 . 0 0 "[ ]" 1
351 1 9 VAL MG1 1 16 LEU HB2 5.240 . 8.680 2.000 2.000 2.000 . 0 0 "[ ]" 1
352 1 9 VAL MG1 1 16 LEU HB3 5.240 . 8.680 2.915 2.915 2.915 . 0 0 "[ ]" 1
353 1 9 VAL MG1 1 19 GLN HB2 5.475 . 9.150 3.507 3.507 3.507 . 0 0 "[ ]" 1
354 1 9 VAL MG1 1 19 GLN HB3 5.475 . 9.150 4.577 4.577 4.577 . 0 0 "[ ]" 1
355 1 9 VAL MG1 1 19 GLN HG2 4.790 . 7.780 4.219 4.219 4.219 . 0 0 "[ ]" 1
356 1 9 VAL MG1 1 19 GLN HG3 4.790 . 7.780 2.936 2.936 2.936 . 0 0 "[ ]" 1
357 1 9 VAL MG1 1 36 ASP H 3.915 . 6.030 3.783 3.783 3.783 . 0 0 "[ ]" 1
358 1 9 VAL MG1 1 37 LYS HA 3.915 . 6.030 2.817 2.817 2.817 . 0 0 "[ ]" 1
359 1 9 VAL MG1 1 38 ALA MB 4.430 . 7.060 4.521 4.521 4.521 . 0 0 "[ ]" 1
360 1 9 VAL MG2 1 15 SER HB2 3.915 . 6.030 3.717 3.717 3.717 . 0 0 "[ ]" 1
361 1 9 VAL MG2 1 15 SER HB3 3.915 . 6.030 4.845 4.845 4.845 . 0 0 "[ ]" 1
362 1 9 VAL MG2 1 16 LEU HA 3.915 . 6.030 4.723 4.723 4.723 . 0 0 "[ ]" 1
363 1 9 VAL MG2 1 16 LEU HB2 5.240 . 8.680 3.730 3.730 3.730 . 0 0 "[ ]" 1
364 1 9 VAL MG2 1 16 LEU HB3 5.240 . 8.680 4.850 4.850 4.850 . 0 0 "[ ]" 1
365 1 9 VAL MG2 1 19 GLN HB2 5.475 . 9.150 6.108 6.108 6.108 . 0 0 "[ ]" 1
366 1 9 VAL MG2 1 19 GLN HB3 5.475 . 9.150 6.880 6.880 6.880 . 0 0 "[ ]" 1
367 1 9 VAL MG2 1 19 GLN HG2 4.790 . 7.780 6.439 6.439 6.439 . 0 0 "[ ]" 1
368 1 9 VAL MG2 1 19 GLN HG3 4.790 . 7.780 5.185 5.185 5.185 . 0 0 "[ ]" 1
369 1 9 VAL MG2 1 36 ASP H 3.915 . 6.030 4.540 4.540 4.540 . 0 0 "[ ]" 1
370 1 9 VAL MG2 1 37 LYS HA 3.915 . 6.030 1.937 1.937 1.937 . 0 0 "[ ]" 1
371 1 9 VAL MG2 1 38 ALA MB 4.430 . 7.060 2.503 2.503 2.503 . 0 0 "[ ]" 1
372 1 10 SER H 1 11 THR H 2.815 . 3.830 1.963 1.963 1.963 . 0 0 "[ ]" 1
373 1 10 SER H 1 15 SER HB2 3.400 . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
374 1 10 SER H 1 15 SER HB3 3.400 . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
375 1 10 SER HA 1 11 THR HA 3.360 . 4.920 4.687 4.687 4.687 . 0 0 "[ ]" 1
376 1 10 SER HA 1 38 ALA MB 3.185 . 4.570 3.627 3.627 3.627 . 0 0 "[ ]" 1
377 1 10 SER QB 1 38 ALA MB 4.355 . 6.910 4.948 4.948 4.948 . 0 0 "[ ]" 1
378 1 10 SER HB2 1 66 LEU MD1 3.915 . 6.030 5.026 5.026 5.026 . 0 0 "[ ]" 1
379 1 10 SER HB2 1 66 LEU MD2 3.915 . 6.030 3.022 3.022 3.022 . 0 0 "[ ]" 1
380 1 10 SER HB3 1 66 LEU MD1 3.915 . 6.030 4.913 4.913 4.913 . 0 0 "[ ]" 1
381 1 10 SER HB3 1 66 LEU MD2 3.915 . 6.030 3.210 3.210 3.210 . 0 0 "[ ]" 1
382 1 11 THR H 1 11 THR HB 2.945 . 4.090 2.775 2.775 2.775 . 0 0 "[ ]" 1
383 1 11 THR H 1 12 SER H 3.400 . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
384 1 11 THR H 1 15 SER HB2 3.230 . 4.660 3.620 3.620 3.620 . 0 0 "[ ]" 1
385 1 11 THR H 1 15 SER QB 2.950 . 4.100 2.676 2.676 2.676 . 0 0 "[ ]" 1
386 1 11 THR H 1 15 SER HB3 3.230 . 4.660 2.757 2.757 2.757 . 0 0 "[ ]" 1
387 1 11 THR HA 1 12 SER QB 3.840 . 5.880 4.247 4.247 4.247 . 0 0 "[ ]" 1
388 1 11 THR HB 1 18 ILE MD 3.915 . 6.030 5.063 5.063 5.063 . 0 0 "[ ]" 1
389 1 11 THR MG 1 12 SER H 3.915 . 6.030 3.316 3.316 3.316 . 0 0 "[ ]" 1
390 1 11 THR MG 1 12 SER HA 3.915 . 6.030 3.874 3.874 3.874 . 0 0 "[ ]" 1
391 1 11 THR MG 1 12 SER QB 4.355 . 6.910 4.782 4.782 4.782 . 0 0 "[ ]" 1
392 1 11 THR MG 1 13 GLN QB 4.350 . 6.900 2.890 2.890 2.890 . 0 0 "[ ]" 1
393 1 11 THR MG 1 14 GLN QB 4.350 . 6.900 5.029 5.029 5.029 . 0 0 "[ ]" 1
394 1 11 THR MG 1 14 GLN QG 4.350 . 6.900 3.922 3.922 3.922 . 0 0 "[ ]" 1
395 1 11 THR MG 1 15 SER HA 3.720 . 5.640 2.981 2.981 2.981 . 0 0 "[ ]" 1
396 1 11 THR MG 1 15 SER HB2 3.370 . 4.940 3.267 3.267 3.267 . 0 0 "[ ]" 1
397 1 11 THR MG 1 15 SER QB 3.220 . 4.640 2.014 2.014 2.014 . 0 0 "[ ]" 1
398 1 11 THR MG 1 15 SER HB3 3.370 . 4.940 2.033 2.033 2.033 . 0 0 "[ ]" 1
399 1 11 THR MG 1 18 ILE HB 3.630 . 5.460 4.599 4.599 4.599 . 0 0 "[ ]" 1
400 1 11 THR MG 1 18 ILE MD 3.545 . 5.290 2.931 2.931 2.931 . 0 0 "[ ]" 1
401 1 11 THR MG 1 66 LEU MD1 4.430 . 7.060 4.601 4.601 4.601 . 0 0 "[ ]" 1
402 1 11 THR MG 1 66 LEU MD2 4.430 . 7.060 3.505 3.505 3.505 . 0 0 "[ ]" 1
403 1 12 SER H 1 12 SER HB2 2.830 . 3.860 2.395 2.395 2.395 . 0 0 "[ ]" 1
404 1 12 SER H 1 12 SER QB 2.715 . 3.630 2.362 2.362 2.362 . 0 0 "[ ]" 1
405 1 12 SER H 1 12 SER HB3 2.830 . 3.860 3.606 3.606 3.606 . 0 0 "[ ]" 1
406 1 12 SER HA 1 13 GLN HA 3.400 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
407 1 12 SER HA 1 13 GLN QB 3.840 . 5.880 4.665 4.665 4.665 . 0 0 "[ ]" 1
408 1 12 SER HB2 1 13 GLN QB 3.840 . 5.880 4.935 4.935 4.935 . 0 0 "[ ]" 1
409 1 12 SER HB3 1 13 GLN QB 3.840 . 5.880 5.065 5.065 5.065 . 0 0 "[ ]" 1
410 1 13 GLN QB 1 18 ILE MD 4.350 . 6.900 3.752 3.752 3.752 . 0 0 "[ ]" 1
411 1 14 GLN H 1 14 GLN QE 3.835 . 5.870 4.756 4.756 4.756 . 0 0 "[ ]" 1
412 1 14 GLN H 1 14 GLN QG 3.840 . 5.880 2.563 2.563 2.563 . 0 0 "[ ]" 1
413 1 14 GLN H 1 18 ILE MD 3.915 . 6.030 3.235 3.235 3.235 . 0 0 "[ ]" 1
414 1 14 GLN HA 1 15 SER H 2.540 . 3.280 2.820 2.820 2.820 . 0 0 "[ ]" 1
415 1 14 GLN HA 1 16 LEU QD 4.620 . 7.440 4.737 4.737 4.737 . 0 0 "[ ]" 1
416 1 14 GLN HA 1 18 ILE MD 3.615 . 5.430 4.250 4.250 4.250 . 0 0 "[ ]" 1
417 1 14 GLN QB 1 17 ASP H 3.590 . 5.380 3.305 3.305 3.305 . 0 0 "[ ]" 1
418 1 14 GLN QB 1 17 ASP HB2 3.840 . 5.880 2.562 2.562 2.562 . 0 0 "[ ]" 1
419 1 14 GLN QB 1 17 ASP HB3 3.840 . 5.880 2.890 2.890 2.890 . 0 0 "[ ]" 1
420 1 14 GLN QB 1 18 ILE MD 4.275 . 6.750 3.551 3.551 3.551 . 0 0 "[ ]" 1
421 1 14 GLN QB 1 18 ILE QG 4.215 . 6.630 3.779 3.779 3.779 . 0 0 "[ ]" 1
422 1 14 GLN QG 1 15 SER H 3.840 . 5.880 3.762 3.762 3.762 . 0 0 "[ ]" 1
423 1 14 GLN QG 1 15 SER HA 3.630 . 5.460 3.884 3.884 3.884 . 0 0 "[ ]" 1
424 1 14 GLN QG 1 17 ASP H 3.840 . 5.880 4.386 4.386 4.386 . 0 0 "[ ]" 1
425 1 14 GLN QG 1 17 ASP HB2 3.670 . 5.540 4.204 4.204 4.204 . 0 0 "[ ]" 1
426 1 14 GLN QG 1 17 ASP QB 3.470 . 5.140 3.405 3.405 3.405 . 0 0 "[ ]" 1
427 1 14 GLN QG 1 17 ASP HB3 3.670 . 5.540 3.599 3.599 3.599 . 0 0 "[ ]" 1
428 1 14 GLN QG 1 18 ILE HB 3.840 . 5.880 4.398 4.398 4.398 . 0 0 "[ ]" 1
429 1 14 GLN QG 1 18 ILE MD 4.350 . 6.900 1.960 1.960 1.960 . 0 0 "[ ]" 1
430 1 14 GLN QG 1 18 ILE HG12 3.840 . 5.880 3.564 3.564 3.564 . 0 0 "[ ]" 1
431 1 14 GLN QG 1 18 ILE QG 3.530 . 5.260 2.564 2.564 2.564 . 0 0 "[ ]" 1
432 1 14 GLN QG 1 18 ILE HG13 3.840 . 5.880 2.628 2.628 2.628 . 0 0 "[ ]" 1
433 1 14 GLN QG 1 18 ILE MG 4.350 . 6.900 4.706 4.706 4.706 . 0 0 "[ ]" 1
434 1 15 SER H 1 15 SER HB2 2.865 . 3.930 3.275 3.275 3.275 . 0 0 "[ ]" 1
435 1 15 SER H 1 15 SER HB3 2.865 . 3.930 3.350 3.350 3.350 . 0 0 "[ ]" 1
436 1 15 SER H 1 17 ASP H 3.400 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
437 1 15 SER H 1 18 ILE MD 3.900 . 6.000 3.358 3.358 3.358 . 0 0 "[ ]" 1
438 1 15 SER HA 1 17 ASP H 3.060 . 4.320 4.316 4.316 4.316 . 0 0 "[ ]" 1
439 1 15 SER HA 1 18 ILE H 2.985 . 4.170 3.308 3.308 3.308 . 0 0 "[ ]" 1
440 1 15 SER HA 1 18 ILE HB 2.660 . 3.520 2.434 2.434 2.434 . 0 0 "[ ]" 1
441 1 15 SER HA 1 18 ILE MD 3.275 . 4.750 2.050 2.050 2.050 . 0 0 "[ ]" 1
442 1 15 SER HA 1 18 ILE QG 3.840 . 5.880 3.571 3.571 3.571 . 0 0 "[ ]" 1
443 1 15 SER HA 1 18 ILE MG 3.590 . 5.380 3.903 3.903 3.903 . 0 0 "[ ]" 1
444 1 15 SER QB 1 18 ILE MD 3.570 . 5.340 3.427 3.427 3.427 . 0 0 "[ ]" 1
445 1 15 SER HB2 1 18 ILE MD 3.705 . 5.610 4.439 4.439 4.439 . 0 0 "[ ]" 1
446 1 15 SER HB3 1 18 ILE MD 3.705 . 5.610 3.566 3.566 3.566 . 0 0 "[ ]" 1
447 1 16 LEU H 1 16 LEU MD1 3.915 . 6.030 4.352 4.352 4.352 . 0 0 "[ ]" 1
448 1 16 LEU H 1 16 LEU MD2 3.915 . 6.030 4.004 4.004 4.004 . 0 0 "[ ]" 1
449 1 16 LEU H 1 16 LEU HG 3.400 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
450 1 16 LEU HA 1 16 LEU HG 2.490 . 3.180 2.547 2.547 2.547 . 0 0 "[ ]" 1
451 1 16 LEU HA 1 19 GLN H 2.830 . 3.860 3.488 3.488 3.488 . 0 0 "[ ]" 1
452 1 16 LEU HA 1 19 GLN HB2 3.375 . 4.950 2.394 2.394 2.394 . 0 0 "[ ]" 1
453 1 16 LEU HA 1 19 GLN QB 3.180 . 4.560 2.373 2.373 2.373 . 0 0 "[ ]" 1
454 1 16 LEU HA 1 19 GLN HB3 3.375 . 4.950 3.898 3.898 3.898 . 0 0 "[ ]" 1
455 1 16 LEU HA 1 19 GLN QG 3.760 . 5.720 3.282 3.282 3.282 . 0 0 "[ ]" 1
456 1 16 LEU HA 1 20 VAL MG2 3.875 . 5.950 3.631 3.631 3.631 . 0 0 "[ ]" 1
457 1 16 LEU QB 1 17 ASP H 3.010 . 4.220 2.631 2.631 2.631 . 0 0 "[ ]" 1
458 1 16 LEU QB 1 20 VAL MG2 3.825 . 5.850 4.150 4.150 4.150 . 0 0 "[ ]" 1
459 1 16 LEU QB 1 35 THR HB 3.840 . 5.880 4.930 4.930 4.930 . 0 0 "[ ]" 1
460 1 16 LEU QB 1 37 LYS QD 2.750 . 3.700 2.301 2.301 2.301 . 0 0 "[ ]" 1
461 1 16 LEU QB 1 37 LYS QE 3.035 . 4.270 2.584 2.584 2.584 . 0 0 "[ ]" 1
462 1 16 LEU HB2 1 20 VAL MG2 3.915 . 6.030 4.734 4.734 4.734 . 0 0 "[ ]" 1
463 1 16 LEU HB2 1 37 LYS HD2 3.010 . 4.220 3.241 3.241 3.241 . 0 0 "[ ]" 1
464 1 16 LEU HB2 1 37 LYS HD3 3.010 . 4.220 2.396 2.396 2.396 . 0 0 "[ ]" 1
465 1 16 LEU HB2 1 37 LYS QE 3.255 . 4.710 2.887 2.887 2.887 . 0 0 "[ ]" 1
466 1 16 LEU HB3 1 20 VAL MG2 3.915 . 6.030 4.591 4.591 4.591 . 0 0 "[ ]" 1
467 1 16 LEU HB3 1 37 LYS HD2 3.010 . 4.220 4.273 4.273 4.273 0.053 1 0 "[ ]" 1
468 1 16 LEU HB3 1 37 LYS HD3 3.010 . 4.220 3.660 3.660 3.660 . 0 0 "[ ]" 1
469 1 16 LEU HB3 1 37 LYS QE 3.255 . 4.710 2.914 2.914 2.914 . 0 0 "[ ]" 1
470 1 16 LEU QD 1 17 ASP H 3.685 . 5.570 2.989 2.989 2.989 . 0 0 "[ ]" 1
471 1 16 LEU QD 1 17 ASP HA 4.230 . 6.660 2.762 2.762 2.762 . 0 0 "[ ]" 1
472 1 16 LEU QD 1 17 ASP QB 4.410 . 7.020 3.403 3.403 3.403 . 0 0 "[ ]" 1
473 1 16 LEU QD 1 19 GLN H 4.700 . 7.600 4.970 4.970 4.970 . 0 0 "[ ]" 1
474 1 16 LEU QD 1 20 VAL HB 4.700 . 7.600 4.202 4.202 4.202 . 0 0 "[ ]" 1
475 1 16 LEU QD 1 35 THR HA 4.700 . 7.600 4.584 4.584 4.584 . 0 0 "[ ]" 1
476 1 16 LEU QD 1 35 THR HB 3.945 . 6.090 3.155 3.155 3.155 . 0 0 "[ ]" 1
477 1 16 LEU QD 1 35 THR MG 3.920 . 6.040 1.660 1.660 1.660 0.140 1 0 "[ ]" 1
478 1 16 LEU QD 1 36 ASP H 4.660 . 7.520 3.915 3.915 3.915 . 0 0 "[ ]" 1
479 1 16 LEU QD 1 37 LYS QD 3.695 . 5.590 1.817 1.817 1.817 . 0 0 "[ ]" 1
480 1 16 LEU MD1 1 17 ASP H 3.915 . 6.030 4.751 4.751 4.751 . 0 0 "[ ]" 1
481 1 16 LEU MD1 1 17 ASP HB2 5.485 . 9.170 5.898 5.898 5.898 . 0 0 "[ ]" 1
482 1 16 LEU MD1 1 17 ASP HB3 5.485 . 9.170 6.948 6.948 6.948 . 0 0 "[ ]" 1
483 1 16 LEU MD1 1 33 ILE MG 4.430 . 7.060 3.922 3.922 3.922 . 0 0 "[ ]" 1
484 1 16 LEU MD1 1 35 THR MG 4.430 . 7.060 1.663 1.663 1.663 0.137 1 0 "[ ]" 1
485 1 16 LEU MD1 1 37 LYS HD2 3.915 . 6.030 3.222 3.222 3.222 . 0 0 "[ ]" 1
486 1 16 LEU MD1 1 37 LYS HD3 3.915 . 6.030 1.831 1.831 1.831 . 0 0 "[ ]" 1
487 1 16 LEU MD1 1 37 LYS QE 3.895 . 5.990 1.913 1.913 1.913 . 0 0 "[ ]" 1
488 1 16 LEU MD2 1 17 ASP H 3.915 . 6.030 3.021 3.021 3.021 . 0 0 "[ ]" 1
489 1 16 LEU MD2 1 17 ASP HB2 5.485 . 9.170 3.530 3.530 3.530 . 0 0 "[ ]" 1
490 1 16 LEU MD2 1 17 ASP HB3 5.485 . 9.170 4.690 4.690 4.690 . 0 0 "[ ]" 1
491 1 16 LEU MD2 1 33 ILE MG 4.430 . 7.060 4.486 4.486 4.486 . 0 0 "[ ]" 1
492 1 16 LEU MD2 1 35 THR MG 4.430 . 7.060 3.512 3.512 3.512 . 0 0 "[ ]" 1
493 1 16 LEU MD2 1 37 LYS HD2 3.915 . 6.030 4.826 4.826 4.826 . 0 0 "[ ]" 1
494 1 16 LEU MD2 1 37 LYS HD3 3.915 . 6.030 3.904 3.904 3.904 . 0 0 "[ ]" 1
495 1 16 LEU MD2 1 37 LYS QE 3.895 . 5.990 2.807 2.807 2.807 . 0 0 "[ ]" 1
496 1 16 LEU HG 1 17 ASP H 3.205 . 4.610 4.024 4.024 4.024 . 0 0 "[ ]" 1
497 1 16 LEU HG 1 17 ASP HA 3.400 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
498 1 16 LEU HG 1 17 ASP QB 3.840 . 5.880 5.191 5.191 5.191 . 0 0 "[ ]" 1
499 1 16 LEU HG 1 20 VAL H 3.400 . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
500 1 16 LEU HG 1 20 VAL MG1 3.915 . 6.030 4.994 4.994 4.994 . 0 0 "[ ]" 1
501 1 16 LEU HG 1 20 VAL MG2 3.175 . 4.550 2.522 2.522 2.522 . 0 0 "[ ]" 1
502 1 16 LEU HG 1 33 ILE MG 3.915 . 6.030 4.127 4.127 4.127 . 0 0 "[ ]" 1
503 1 16 LEU HG 1 35 THR HB 3.400 . 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
504 1 16 LEU HG 1 35 THR MG 3.915 . 6.030 3.143 3.143 3.143 . 0 0 "[ ]" 1
505 1 16 LEU O 1 20 VAL H 2.000 . 2.300 1.929 1.929 1.929 . 0 0 "[ ]" 1
506 1 16 LEU O 1 20 VAL N 3.000 2.700 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
507 1 17 ASP H 1 17 ASP HB2 2.555 . 3.310 2.219 2.219 2.219 . 0 0 "[ ]" 1
508 1 17 ASP H 1 17 ASP QB 2.390 . 2.980 2.160 2.160 2.160 . 0 0 "[ ]" 1
509 1 17 ASP H 1 17 ASP HB3 2.555 . 3.310 2.969 2.969 2.969 . 0 0 "[ ]" 1
510 1 17 ASP H 1 18 ILE H 2.580 . 3.360 2.658 2.658 2.658 . 0 0 "[ ]" 1
511 1 17 ASP H 1 18 ILE MD 3.795 . 5.790 4.296 4.296 4.296 . 0 0 "[ ]" 1
512 1 17 ASP H 1 19 GLN H 3.125 . 4.450 3.932 3.932 3.932 . 0 0 "[ ]" 1
513 1 17 ASP HA 1 19 GLN H 3.400 . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
514 1 17 ASP HA 1 20 VAL H 2.765 . 3.730 3.670 3.670 3.670 . 0 0 "[ ]" 1
515 1 17 ASP HA 1 20 VAL HB 2.750 . 3.700 3.004 3.004 3.004 . 0 0 "[ ]" 1
516 1 17 ASP HA 1 20 VAL MG1 3.785 . 5.770 4.312 4.312 4.312 . 0 0 "[ ]" 1
517 1 17 ASP HA 1 20 VAL MG2 3.760 . 5.720 2.879 2.879 2.879 . 0 0 "[ ]" 1
518 1 17 ASP HA 1 21 ARG H 3.100 . 4.400 4.126 4.126 4.126 . 0 0 "[ ]" 1
519 1 17 ASP HA 1 21 ARG QG 3.840 . 5.880 3.843 3.843 3.843 . 0 0 "[ ]" 1
520 1 17 ASP QB 1 18 ILE H 2.965 . 4.130 2.373 2.373 2.373 . 0 0 "[ ]" 1
521 1 17 ASP QB 1 21 ARG QG 4.280 . 6.760 3.930 3.930 3.930 . 0 0 "[ ]" 1
522 1 17 ASP HB2 1 18 ILE H 3.050 . 4.300 3.367 3.367 3.367 . 0 0 "[ ]" 1
523 1 17 ASP HB2 1 18 ILE MD 3.915 . 6.030 4.853 4.853 4.853 . 0 0 "[ ]" 1
524 1 17 ASP HB3 1 18 ILE H 3.050 . 4.300 2.425 2.425 2.425 . 0 0 "[ ]" 1
525 1 17 ASP HB3 1 18 ILE MD 3.915 . 6.030 4.068 4.068 4.068 . 0 0 "[ ]" 1
526 1 17 ASP O 1 21 ARG H 2.000 . 2.300 2.095 2.095 2.095 . 0 0 "[ ]" 1
527 1 17 ASP O 1 21 ARG N 3.000 2.700 3.300 3.071 3.071 3.071 . 0 0 "[ ]" 1
528 1 18 ILE H 1 18 ILE HB 2.425 . 3.050 2.589 2.589 2.589 . 0 0 "[ ]" 1
529 1 18 ILE H 1 18 ILE MD 2.980 . 4.160 2.867 2.867 2.867 . 0 0 "[ ]" 1
530 1 18 ILE H 1 18 ILE QG 3.345 . 4.890 1.995 1.995 1.995 . 0 0 "[ ]" 1
531 1 18 ILE H 1 19 GLN H 2.410 . 3.020 2.693 2.693 2.693 . 0 0 "[ ]" 1
532 1 18 ILE H 1 21 ARG QG 3.330 . 4.860 4.217 4.217 4.217 . 0 0 "[ ]" 1
533 1 18 ILE HA 1 18 ILE HG12 2.660 . 3.520 2.912 2.912 2.912 . 0 0 "[ ]" 1
534 1 18 ILE HA 1 18 ILE QG 2.495 . 3.190 2.485 2.485 2.485 . 0 0 "[ ]" 1
535 1 18 ILE HA 1 18 ILE HG13 2.660 . 3.520 2.696 2.696 2.696 . 0 0 "[ ]" 1
536 1 18 ILE HA 1 18 ILE MG 2.755 . 3.710 2.330 2.330 2.330 . 0 0 "[ ]" 1
537 1 18 ILE HA 1 21 ARG H 2.985 . 4.170 3.722 3.722 3.722 . 0 0 "[ ]" 1
538 1 18 ILE HA 1 21 ARG QB 3.410 . 5.020 3.035 3.035 3.035 . 0 0 "[ ]" 1
539 1 18 ILE HA 1 21 ARG HD2 3.400 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
540 1 18 ILE HA 1 21 ARG HD3 3.400 . 5.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
541 1 18 ILE HA 1 21 ARG QG 3.840 . 5.880 2.495 2.495 2.495 . 0 0 "[ ]" 1
542 1 18 ILE HA 1 22 ALA MB 3.915 . 6.030 4.699 4.699 4.699 . 0 0 "[ ]" 1
543 1 18 ILE HB 1 19 GLN H 2.530 . 3.260 2.628 2.628 2.628 . 0 0 "[ ]" 1
544 1 18 ILE HB 1 19 GLN QG 3.605 . 5.410 3.659 3.659 3.659 . 0 0 "[ ]" 1
545 1 18 ILE MD 1 18 ILE MG 3.130 . 4.460 2.361 2.361 2.361 . 0 0 "[ ]" 1
546 1 18 ILE MD 1 19 GLN H 3.915 . 6.030 4.113 4.113 4.113 . 0 0 "[ ]" 1
547 1 18 ILE HG12 1 18 ILE MG 2.795 . 3.790 2.175 2.175 2.175 . 0 0 "[ ]" 1
548 1 18 ILE HG13 1 18 ILE MG 2.795 . 3.790 3.109 3.109 3.109 . 0 0 "[ ]" 1
549 1 18 ILE MG 1 19 GLN HA 3.665 . 5.530 3.631 3.631 3.631 . 0 0 "[ ]" 1
550 1 18 ILE MG 1 19 GLN QB 4.355 . 6.910 4.827 4.827 4.827 . 0 0 "[ ]" 1
551 1 18 ILE MG 1 19 GLN QG 3.795 . 5.790 3.887 3.887 3.887 . 0 0 "[ ]" 1
552 1 18 ILE MG 1 21 ARG QB 4.350 . 6.900 3.753 3.753 3.753 . 0 0 "[ ]" 1
553 1 18 ILE MG 1 21 ARG QG 4.325 . 6.850 4.127 4.127 4.127 . 0 0 "[ ]" 1
554 1 18 ILE MG 1 22 ALA MB 3.855 . 5.910 3.405 3.405 3.405 . 0 0 "[ ]" 1
555 1 19 GLN H 1 19 GLN QE 3.835 . 5.870 4.671 4.671 4.671 . 0 0 "[ ]" 1
556 1 19 GLN H 1 19 GLN HG2 2.930 . 4.060 2.860 2.860 2.860 . 0 0 "[ ]" 1
557 1 19 GLN H 1 19 GLN QG 2.740 . 3.680 2.735 2.735 2.735 . 0 0 "[ ]" 1
558 1 19 GLN H 1 19 GLN HG3 2.930 . 4.060 3.482 3.482 3.482 . 0 0 "[ ]" 1
559 1 19 GLN H 1 20 VAL H 2.620 . 3.440 2.788 2.788 2.788 . 0 0 "[ ]" 1
560 1 19 GLN H 1 21 ARG QG 3.840 . 5.880 4.737 4.737 4.737 . 0 0 "[ ]" 1
561 1 19 GLN H 1 22 ALA MB 3.915 . 6.030 4.490 4.490 4.490 . 0 0 "[ ]" 1
562 1 19 GLN HA 1 19 GLN QG 2.895 . 3.990 2.278 2.278 2.278 . 0 0 "[ ]" 1
563 1 19 GLN HA 1 20 VAL HA 3.400 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
564 1 19 GLN HA 1 22 ALA H 2.880 . 3.960 3.306 3.306 3.306 . 0 0 "[ ]" 1
565 1 19 GLN HA 1 22 ALA MB 3.135 . 4.470 2.419 2.419 2.419 . 0 0 "[ ]" 1
566 1 19 GLN HA 1 23 LEU QD 4.545 . 7.290 3.777 3.777 3.777 . 0 0 "[ ]" 1
567 1 19 GLN QB 1 19 GLN QG 2.125 . 2.450 2.053 2.053 2.053 . 0 0 "[ ]" 1
568 1 19 GLN QB 1 22 ALA MB 3.840 . 5.880 3.881 3.881 3.881 . 0 0 "[ ]" 1
569 1 19 GLN QB 1 66 LEU QD 4.675 . 7.550 4.077 4.077 4.077 . 0 0 "[ ]" 1
570 1 19 GLN HB2 1 20 VAL MG2 3.915 . 6.030 3.339 3.339 3.339 . 0 0 "[ ]" 1
571 1 19 GLN HB2 1 22 ALA MB 3.915 . 6.030 4.826 4.826 4.826 . 0 0 "[ ]" 1
572 1 19 GLN HB2 1 23 LEU MD1 3.915 . 6.030 4.756 4.756 4.756 . 0 0 "[ ]" 1
573 1 19 GLN HB2 1 23 LEU MD2 3.915 . 6.030 4.901 4.901 4.901 . 0 0 "[ ]" 1
574 1 19 GLN HB2 1 66 LEU MD1 5.485 . 9.170 6.212 6.212 6.212 . 0 0 "[ ]" 1
575 1 19 GLN HB2 1 66 LEU MD2 5.485 . 9.170 4.638 4.638 4.638 . 0 0 "[ ]" 1
576 1 19 GLN HB3 1 20 VAL MG2 3.915 . 6.030 3.696 3.696 3.696 . 0 0 "[ ]" 1
577 1 19 GLN HB3 1 22 ALA MB 3.915 . 6.030 4.090 4.090 4.090 . 0 0 "[ ]" 1
578 1 19 GLN HB3 1 23 LEU MD1 3.915 . 6.030 3.581 3.581 3.581 . 0 0 "[ ]" 1
579 1 19 GLN HB3 1 23 LEU MD2 3.915 . 6.030 3.414 3.414 3.414 . 0 0 "[ ]" 1
580 1 19 GLN HB3 1 66 LEU MD1 5.485 . 9.170 6.185 6.185 6.185 . 0 0 "[ ]" 1
581 1 19 GLN HB3 1 66 LEU MD2 5.485 . 9.170 4.797 4.797 4.797 . 0 0 "[ ]" 1
582 1 19 GLN QG 1 22 ALA MB 4.105 . 6.410 4.010 4.010 4.010 . 0 0 "[ ]" 1
583 1 19 GLN QG 1 23 LEU QD 4.675 . 7.550 4.337 4.337 4.337 . 0 0 "[ ]" 1
584 1 19 GLN QG 1 66 LEU QD 4.265 . 6.730 2.337 2.337 2.337 . 0 0 "[ ]" 1
585 1 19 GLN HG2 1 20 VAL H 3.400 . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
586 1 19 GLN HG2 1 23 LEU MD1 5.485 . 9.170 5.977 5.977 5.977 . 0 0 "[ ]" 1
587 1 19 GLN HG2 1 23 LEU MD2 5.485 . 9.170 5.104 5.104 5.104 . 0 0 "[ ]" 1
588 1 19 GLN HG2 1 66 LEU MD1 4.790 . 7.780 3.950 3.950 3.950 . 0 0 "[ ]" 1
589 1 19 GLN HG2 1 66 LEU MD2 4.790 . 7.780 2.454 2.454 2.454 . 0 0 "[ ]" 1
590 1 19 GLN HG3 1 20 VAL H 3.400 . 5.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
591 1 19 GLN HG3 1 23 LEU MD1 5.485 . 9.170 5.716 5.716 5.716 . 0 0 "[ ]" 1
592 1 19 GLN HG3 1 23 LEU MD2 5.485 . 9.170 5.339 5.339 5.339 . 0 0 "[ ]" 1
593 1 19 GLN HG3 1 66 LEU MD1 4.790 . 7.780 5.084 5.084 5.084 . 0 0 "[ ]" 1
594 1 19 GLN HG3 1 66 LEU MD2 4.790 . 7.780 3.056 3.056 3.056 . 0 0 "[ ]" 1
595 1 19 GLN O 1 23 LEU H 2.000 . 2.300 1.904 1.904 1.904 . 0 0 "[ ]" 1
596 1 19 GLN O 1 23 LEU N 3.000 2.700 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 1
597 1 20 VAL H 1 20 VAL HB 2.280 . 2.760 2.622 2.622 2.622 . 0 0 "[ ]" 1
598 1 20 VAL H 1 21 ARG H 2.670 . 3.540 2.933 2.933 2.933 . 0 0 "[ ]" 1
599 1 20 VAL H 1 21 ARG QG 3.840 . 5.880 4.272 4.272 4.272 . 0 0 "[ ]" 1
600 1 20 VAL H 1 22 ALA MB 3.915 . 6.030 4.629 4.629 4.629 . 0 0 "[ ]" 1
601 1 20 VAL HA 1 23 LEU H 2.960 . 4.120 3.215 3.215 3.215 . 0 0 "[ ]" 1
602 1 20 VAL HA 1 23 LEU MD1 3.485 . 5.170 2.589 2.589 2.589 . 0 0 "[ ]" 1
603 1 20 VAL HA 1 23 LEU QD 3.285 . 4.770 2.560 2.560 2.560 . 0 0 "[ ]" 1
604 1 20 VAL HA 1 23 LEU MD2 3.485 . 5.170 4.026 4.026 4.026 . 0 0 "[ ]" 1
605 1 20 VAL HA 1 23 LEU HG 3.400 . 5.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
606 1 20 VAL HA 1 24 LYS QD 3.840 . 5.880 4.469 4.469 4.469 . 0 0 "[ ]" 1
607 1 20 VAL HA 1 24 LYS QE 3.840 . 5.880 3.759 3.759 3.759 . 0 0 "[ ]" 1
608 1 20 VAL HA 1 33 ILE MD 3.630 . 5.460 2.857 2.857 2.857 . 0 0 "[ ]" 1
609 1 20 VAL HA 1 33 ILE MG 3.705 . 5.610 2.644 2.644 2.644 . 0 0 "[ ]" 1
610 1 20 VAL HB 1 21 ARG H 2.490 . 3.180 2.388 2.388 2.388 . 0 0 "[ ]" 1
611 1 20 VAL HB 1 24 LYS QE 3.840 . 5.880 3.753 3.753 3.753 . 0 0 "[ ]" 1
612 1 20 VAL HB 1 33 ILE MD 3.915 . 6.030 4.892 4.892 4.892 . 0 0 "[ ]" 1
613 1 20 VAL HB 1 33 ILE MG 3.745 . 5.690 4.113 4.113 4.113 . 0 0 "[ ]" 1
614 1 20 VAL MG1 1 21 ARG H 2.925 . 4.050 3.349 3.349 3.349 . 0 0 "[ ]" 1
615 1 20 VAL MG1 1 21 ARG HA 3.745 . 5.690 3.612 3.612 3.612 . 0 0 "[ ]" 1
616 1 20 VAL MG1 1 21 ARG QB 4.350 . 6.900 4.782 4.782 4.782 . 0 0 "[ ]" 1
617 1 20 VAL MG1 1 21 ARG QG 4.350 . 6.900 3.486 3.486 3.486 . 0 0 "[ ]" 1
618 1 20 VAL MG1 1 23 LEU QD 4.745 . 7.690 3.588 3.588 3.588 . 0 0 "[ ]" 1
619 1 20 VAL MG1 1 24 LYS HB2 3.915 . 6.030 3.432 3.432 3.432 . 0 0 "[ ]" 1
620 1 20 VAL MG1 1 24 LYS QB 3.710 . 5.620 3.361 3.361 3.361 . 0 0 "[ ]" 1
621 1 20 VAL MG1 1 24 LYS HB3 3.915 . 6.030 4.802 4.802 4.802 . 0 0 "[ ]" 1
622 1 20 VAL MG1 1 24 LYS HD2 3.915 . 6.030 3.742 3.742 3.742 . 0 0 "[ ]" 1
623 1 20 VAL MG1 1 24 LYS HD3 3.915 . 6.030 3.118 3.118 3.118 . 0 0 "[ ]" 1
624 1 20 VAL MG1 1 24 LYS QE 3.755 . 5.710 1.707 1.707 1.707 0.093 1 0 "[ ]" 1
625 1 20 VAL MG1 1 24 LYS QG 4.350 . 6.900 4.060 4.060 4.060 . 0 0 "[ ]" 1
626 1 20 VAL MG1 1 30 ALA HA 3.915 . 6.030 3.168 3.168 3.168 . 0 0 "[ ]" 1
627 1 20 VAL MG1 1 33 ILE HB 3.745 . 5.690 3.890 3.890 3.890 . 0 0 "[ ]" 1
628 1 20 VAL MG1 1 33 ILE MD 3.830 . 5.860 2.520 2.520 2.520 . 0 0 "[ ]" 1
629 1 20 VAL MG1 1 33 ILE MG 3.975 . 6.150 2.483 2.483 2.483 . 0 0 "[ ]" 1
630 1 20 VAL MG2 1 23 LEU QD 5.215 . 8.630 3.328 3.328 3.328 . 0 0 "[ ]" 1
631 1 20 VAL MG2 1 24 LYS QD 4.355 . 6.910 5.044 5.044 5.044 . 0 0 "[ ]" 1
632 1 20 VAL MG2 1 24 LYS QE 4.195 . 6.590 3.860 3.860 3.860 . 0 0 "[ ]" 1
633 1 20 VAL MG2 1 30 ALA HA 3.915 . 6.030 4.829 4.829 4.829 . 0 0 "[ ]" 1
634 1 20 VAL MG2 1 33 ILE HB 3.730 . 5.660 3.601 3.601 3.601 . 0 0 "[ ]" 1
635 1 20 VAL MG2 1 33 ILE MD 4.285 . 6.770 3.396 3.396 3.396 . 0 0 "[ ]" 1
636 1 20 VAL MG2 1 33 ILE HG12 3.915 . 6.030 4.623 4.623 4.623 . 0 0 "[ ]" 1
637 1 20 VAL MG2 1 33 ILE HG13 3.915 . 6.030 3.206 3.206 3.206 . 0 0 "[ ]" 1
638 1 20 VAL MG2 1 33 ILE MG 3.985 . 6.170 1.868 1.868 1.868 . 0 0 "[ ]" 1
639 1 20 VAL MG2 1 35 THR HB 3.265 . 4.730 3.340 3.340 3.340 . 0 0 "[ ]" 1
640 1 20 VAL O 1 24 LYS H 2.000 . 2.300 1.772 1.772 1.772 . 0 0 "[ ]" 1
641 1 20 VAL O 1 24 LYS N 3.000 2.700 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1
642 1 21 ARG H 1 21 ARG QG 3.615 . 5.430 1.990 1.990 1.990 . 0 0 "[ ]" 1
643 1 21 ARG H 1 22 ALA H 2.440 . 3.080 2.644 2.644 2.644 . 0 0 "[ ]" 1
644 1 21 ARG HA 1 21 ARG HD2 3.350 . 4.900 4.615 4.615 4.615 . 0 0 "[ ]" 1
645 1 21 ARG HA 1 21 ARG QD 3.075 . 4.350 3.721 3.721 3.721 . 0 0 "[ ]" 1
646 1 21 ARG HA 1 21 ARG HD3 3.350 . 4.900 3.926 3.926 3.926 . 0 0 "[ ]" 1
647 1 21 ARG HA 1 24 LYS H 2.645 . 3.490 3.500 3.500 3.500 0.010 1 0 "[ ]" 1
648 1 21 ARG HA 1 24 LYS HB2 3.285 . 4.770 2.671 2.671 2.671 . 0 0 "[ ]" 1
649 1 21 ARG HA 1 24 LYS QB 3.185 . 4.570 2.589 2.589 2.589 . 0 0 "[ ]" 1
650 1 21 ARG HA 1 24 LYS HB3 3.285 . 4.770 3.477 3.477 3.477 . 0 0 "[ ]" 1
651 1 21 ARG HA 1 24 LYS QE 3.840 . 5.880 3.219 3.219 3.219 . 0 0 "[ ]" 1
652 1 21 ARG HA 1 24 LYS QG 3.420 . 5.040 4.422 4.422 4.422 . 0 0 "[ ]" 1
653 1 21 ARG HA 1 25 ASP H 2.735 . 3.670 3.702 3.702 3.702 0.032 1 0 "[ ]" 1
654 1 21 ARG HA 1 25 ASP QB 3.750 . 5.700 4.346 4.346 4.346 . 0 0 "[ ]" 1
655 1 21 ARG QB 1 21 ARG QD 2.740 . 3.680 2.060 2.060 2.060 . 0 0 "[ ]" 1
656 1 21 ARG QB 1 22 ALA H 3.045 . 4.290 2.741 2.741 2.741 . 0 0 "[ ]" 1
657 1 21 ARG QB 1 22 ALA HA 3.775 . 5.750 3.917 3.917 3.917 . 0 0 "[ ]" 1
658 1 21 ARG QB 1 22 ALA MB 4.350 . 6.900 3.810 3.810 3.810 . 0 0 "[ ]" 1
659 1 21 ARG QB 1 25 ASP QB 4.280 . 6.760 4.037 4.037 4.037 . 0 0 "[ ]" 1
660 1 21 ARG QG 1 22 ALA H 3.745 . 5.690 3.801 3.801 3.801 . 0 0 "[ ]" 1
661 1 21 ARG QG 1 24 LYS QE 4.275 . 6.750 4.192 4.192 4.192 . 0 0 "[ ]" 1
662 1 21 ARG O 1 25 ASP H 2.000 . 2.300 1.951 1.951 1.951 . 0 0 "[ ]" 1
663 1 21 ARG O 1 25 ASP N 3.000 2.700 3.300 2.871 2.871 2.871 . 0 0 "[ ]" 1
664 1 22 ALA H 1 23 LEU H 2.570 . 3.340 2.553 2.553 2.553 . 0 0 "[ ]" 1
665 1 22 ALA H 1 23 LEU QD 4.700 . 7.600 4.058 4.058 4.058 . 0 0 "[ ]" 1
666 1 22 ALA HA 1 23 LEU QD 4.700 . 7.600 4.447 4.447 4.447 . 0 0 "[ ]" 1
667 1 22 ALA HA 1 25 ASP H 2.985 . 4.170 3.619 3.619 3.619 . 0 0 "[ ]" 1
668 1 22 ALA HA 1 25 ASP HB2 2.505 . 3.210 3.187 3.187 3.187 . 0 0 "[ ]" 1
669 1 22 ALA HA 1 25 ASP QB 2.405 . 3.010 2.785 2.785 2.785 . 0 0 "[ ]" 1
670 1 22 ALA HA 1 25 ASP HB3 2.505 . 3.210 3.072 3.072 3.072 . 0 0 "[ ]" 1
671 1 22 ALA MB 1 23 LEU H 2.980 . 4.160 2.550 2.550 2.550 . 0 0 "[ ]" 1
672 1 22 ALA MB 1 23 LEU HA 3.445 . 5.090 3.791 3.791 3.791 . 0 0 "[ ]" 1
673 1 22 ALA MB 1 23 LEU MD1 4.350 . 6.900 4.470 4.470 4.470 . 0 0 "[ ]" 1
674 1 22 ALA MB 1 23 LEU QD 4.090 . 6.380 2.403 2.403 2.403 . 0 0 "[ ]" 1
675 1 22 ALA MB 1 23 LEU MD2 4.350 . 6.900 2.413 2.413 2.413 . 0 0 "[ ]" 1
676 1 22 ALA MB 1 23 LEU HG 3.915 . 6.030 3.428 3.428 3.428 . 0 0 "[ ]" 1
677 1 22 ALA MB 1 66 LEU MD1 4.430 . 7.060 4.321 4.321 4.321 . 0 0 "[ ]" 1
678 1 22 ALA MB 1 66 LEU MD2 4.430 . 7.060 4.771 4.771 4.771 . 0 0 "[ ]" 1
679 1 22 ALA O 1 26 ALA H 2.000 . 2.300 2.190 2.190 2.190 . 0 0 "[ ]" 1
680 1 22 ALA O 1 26 ALA N 3.000 2.700 3.300 3.000 3.000 3.000 . 0 0 "[ ]" 1
681 1 23 LEU H 1 23 LEU HB2 2.505 . 3.210 2.832 2.832 2.832 . 0 0 "[ ]" 1
682 1 23 LEU H 1 23 LEU HB3 2.945 . 4.090 3.647 3.647 3.647 . 0 0 "[ ]" 1
683 1 23 LEU H 1 23 LEU MD1 3.275 . 4.750 3.661 3.661 3.661 . 0 0 "[ ]" 1
684 1 23 LEU H 1 23 LEU QD 3.070 . 4.340 2.459 2.459 2.459 . 0 0 "[ ]" 1
685 1 23 LEU H 1 23 LEU MD2 3.275 . 4.750 2.499 2.499 2.499 . 0 0 "[ ]" 1
686 1 23 LEU H 1 24 LYS H 2.620 . 3.440 2.586 2.586 2.586 . 0 0 "[ ]" 1
687 1 23 LEU HA 1 23 LEU MD1 3.240 . 4.680 3.821 3.821 3.821 . 0 0 "[ ]" 1
688 1 23 LEU HA 1 23 LEU QD 2.955 . 4.110 2.239 2.239 2.239 . 0 0 "[ ]" 1
689 1 23 LEU HA 1 23 LEU MD2 3.240 . 4.680 2.254 2.254 2.254 . 0 0 "[ ]" 1
690 1 23 LEU HA 1 23 LEU HG 2.995 . 4.190 3.478 3.478 3.478 . 0 0 "[ ]" 1
691 1 23 LEU HA 1 26 ALA H 3.060 . 4.320 3.369 3.369 3.369 . 0 0 "[ ]" 1
692 1 23 LEU HA 1 26 ALA MB 3.095 . 4.390 2.453 2.453 2.453 . 0 0 "[ ]" 1
693 1 23 LEU HA 1 28 VAL MG1 3.915 . 6.030 4.332 4.332 4.332 . 0 0 "[ ]" 1
694 1 23 LEU HA 1 28 VAL MG2 3.915 . 6.030 2.593 2.593 2.593 . 0 0 "[ ]" 1
695 1 23 LEU HA 1 62 LEU MD1 3.915 . 6.030 4.047 4.047 4.047 . 0 0 "[ ]" 1
696 1 23 LEU HA 1 62 LEU QD 3.545 . 5.290 3.806 3.806 3.806 . 0 0 "[ ]" 1
697 1 23 LEU HA 1 62 LEU MD2 3.915 . 6.030 4.632 4.632 4.632 . 0 0 "[ ]" 1
698 1 23 LEU HB2 1 24 LYS H 3.335 . 4.870 2.518 2.518 2.518 . 0 0 "[ ]" 1
699 1 23 LEU HB2 1 28 VAL MG1 3.655 . 5.510 2.827 2.827 2.827 . 0 0 "[ ]" 1
700 1 23 LEU HB2 1 28 VAL MG2 3.655 . 5.510 3.254 3.254 3.254 . 0 0 "[ ]" 1
701 1 23 LEU HB3 1 28 VAL MG1 3.915 . 6.030 2.427 2.427 2.427 . 0 0 "[ ]" 1
702 1 23 LEU HB3 1 28 VAL MG2 3.915 . 6.030 2.004 2.004 2.004 . 0 0 "[ ]" 1
703 1 23 LEU HB3 1 62 LEU QD 4.545 . 7.290 4.350 4.350 4.350 . 0 0 "[ ]" 1
704 1 23 LEU QD 1 28 VAL HB 4.700 . 7.600 3.671 3.671 3.671 . 0 0 "[ ]" 1
705 1 23 LEU QD 1 28 VAL QG 3.895 . 5.990 2.454 2.454 2.454 . 0 0 "[ ]" 1
706 1 23 LEU QD 1 33 ILE HA 4.700 . 7.600 3.067 3.067 3.067 . 0 0 "[ ]" 1
707 1 23 LEU QD 1 33 ILE HB 4.700 . 7.600 4.414 4.414 4.414 . 0 0 "[ ]" 1
708 1 23 LEU QD 1 33 ILE QG 4.485 . 7.170 3.761 3.761 3.761 . 0 0 "[ ]" 1
709 1 23 LEU QD 1 33 ILE MG 4.190 . 6.580 2.020 2.020 2.020 . 0 0 "[ ]" 1
710 1 23 LEU QD 1 34 PHE H 4.490 . 7.180 3.992 3.992 3.992 . 0 0 "[ ]" 1
711 1 23 LEU MD1 1 28 VAL MG1 4.430 . 7.060 2.635 2.635 2.635 . 0 0 "[ ]" 1
712 1 23 LEU MD1 1 28 VAL MG2 4.430 . 7.060 3.461 3.461 3.461 . 0 0 "[ ]" 1
713 1 23 LEU MD1 1 33 ILE HG12 5.485 . 9.170 4.506 4.506 4.506 . 0 0 "[ ]" 1
714 1 23 LEU MD1 1 33 ILE HG13 5.485 . 9.170 4.097 4.097 4.097 . 0 0 "[ ]" 1
715 1 23 LEU MD1 1 33 ILE MG 4.430 . 7.060 2.024 2.024 2.024 . 0 0 "[ ]" 1
716 1 23 LEU MD1 1 63 VAL HA 3.915 . 6.030 4.890 4.890 4.890 . 0 0 "[ ]" 1
717 1 23 LEU MD2 1 28 VAL MG1 4.430 . 7.060 4.078 4.078 4.078 . 0 0 "[ ]" 1
718 1 23 LEU MD2 1 28 VAL MG2 4.430 . 7.060 3.290 3.290 3.290 . 0 0 "[ ]" 1
719 1 23 LEU MD2 1 33 ILE HG12 5.485 . 9.170 6.912 6.912 6.912 . 0 0 "[ ]" 1
720 1 23 LEU MD2 1 33 ILE HG13 5.485 . 9.170 6.482 6.482 6.482 . 0 0 "[ ]" 1
721 1 23 LEU MD2 1 33 ILE MG 4.430 . 7.060 4.317 4.317 4.317 . 0 0 "[ ]" 1
722 1 23 LEU MD2 1 63 VAL HA 3.915 . 6.030 3.711 3.711 3.711 . 0 0 "[ ]" 1
723 1 23 LEU O 1 27 GLY H 2.000 . 2.300 2.033 2.033 2.033 . 0 0 "[ ]" 1
724 1 23 LEU O 1 27 GLY N 3.000 2.700 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 1
725 1 23 LEU O 1 28 VAL H 2.000 . 2.300 2.258 2.258 2.258 . 0 0 "[ ]" 1
726 1 23 LEU O 1 28 VAL N 3.000 2.700 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 1
727 1 24 LYS H 1 24 LYS HB2 2.985 . 4.170 2.081 2.081 2.081 . 0 0 "[ ]" 1
728 1 24 LYS H 1 24 LYS QB 2.730 . 3.660 2.060 2.060 2.060 . 0 0 "[ ]" 1
729 1 24 LYS H 1 24 LYS HB3 2.985 . 4.170 3.308 3.308 3.308 . 0 0 "[ ]" 1
730 1 24 LYS H 1 24 LYS QE 3.645 . 5.490 3.261 3.261 3.261 . 0 0 "[ ]" 1
731 1 24 LYS H 1 24 LYS QG 3.125 . 4.450 3.836 3.836 3.836 . 0 0 "[ ]" 1
732 1 24 LYS H 1 25 ASP H 2.580 . 3.360 2.729 2.729 2.729 . 0 0 "[ ]" 1
733 1 24 LYS H 1 28 VAL HB 2.985 . 4.170 3.493 3.493 3.493 . 0 0 "[ ]" 1
734 1 24 LYS H 1 28 VAL QG 4.695 . 7.590 3.977 3.977 3.977 . 0 0 "[ ]" 1
735 1 24 LYS H 1 33 ILE MD 3.250 . 4.700 3.807 3.807 3.807 . 0 0 "[ ]" 1
736 1 24 LYS HA 1 24 LYS HD2 3.400 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
737 1 24 LYS HA 1 24 LYS QD 3.100 . 4.400 2.527 2.527 2.527 . 0 0 "[ ]" 1
738 1 24 LYS HA 1 24 LYS HD3 3.400 . 5.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
739 1 24 LYS HA 1 26 ALA MB 3.915 . 6.030 4.611 4.611 4.611 . 0 0 "[ ]" 1
740 1 24 LYS HA 1 27 GLY H 2.425 . 3.050 3.127 3.127 3.127 0.077 1 0 "[ ]" 1
741 1 24 LYS HA 1 28 VAL H 2.400 . 3.000 2.056 2.056 2.056 . 0 0 "[ ]" 1
742 1 24 LYS HA 1 28 VAL HB 2.930 . 4.060 2.817 2.817 2.817 . 0 0 "[ ]" 1
743 1 24 LYS HA 1 28 VAL MG1 3.915 . 6.030 4.131 4.131 4.131 . 0 0 "[ ]" 1
744 1 24 LYS HA 1 28 VAL QG 3.635 . 5.470 3.599 3.599 3.599 . 0 0 "[ ]" 1
745 1 24 LYS HA 1 28 VAL MG2 3.915 . 6.030 3.961 3.961 3.961 . 0 0 "[ ]" 1
746 1 24 LYS QB 1 24 LYS QE 3.320 . 4.840 2.041 2.041 2.041 . 0 0 "[ ]" 1
747 1 24 LYS QB 1 25 ASP H 2.830 . 3.860 2.625 2.625 2.625 . 0 0 "[ ]" 1
748 1 24 LYS QB 1 25 ASP HA 3.840 . 5.880 3.818 3.818 3.818 . 0 0 "[ ]" 1
749 1 24 LYS QB 1 28 VAL HB 3.840 . 5.880 4.418 4.418 4.418 . 0 0 "[ ]" 1
750 1 24 LYS QB 1 28 VAL QG 5.135 . 8.470 4.618 4.618 4.618 . 0 0 "[ ]" 1
751 1 24 LYS QB 1 33 ILE MD 4.355 . 6.910 4.186 4.186 4.186 . 0 0 "[ ]" 1
752 1 24 LYS HB2 1 24 LYS QE 3.385 . 4.970 2.057 2.057 2.057 . 0 0 "[ ]" 1
753 1 24 LYS HB2 1 25 ASP H 2.985 . 4.170 3.090 3.090 3.090 . 0 0 "[ ]" 1
754 1 24 LYS HB3 1 24 LYS QE 3.385 . 4.970 3.436 3.436 3.436 . 0 0 "[ ]" 1
755 1 24 LYS HB3 1 25 ASP H 2.985 . 4.170 2.840 2.840 2.840 . 0 0 "[ ]" 1
756 1 24 LYS QD 1 28 VAL QG 4.670 . 7.540 3.321 3.321 3.321 . 0 0 "[ ]" 1
757 1 24 LYS QD 1 30 ALA MB 3.365 . 4.930 2.652 2.652 2.652 . 0 0 "[ ]" 1
758 1 24 LYS QD 1 33 ILE MD 3.280 . 4.760 2.334 2.334 2.334 . 0 0 "[ ]" 1
759 1 24 LYS QD 1 33 ILE QG 4.275 . 6.750 3.364 3.364 3.364 . 0 0 "[ ]" 1
760 1 24 LYS HD2 1 28 VAL MG1 5.475 . 9.150 4.177 4.177 4.177 . 0 0 "[ ]" 1
761 1 24 LYS HD2 1 28 VAL MG2 5.475 . 9.150 5.793 5.793 5.793 . 0 0 "[ ]" 1
762 1 24 LYS HD2 1 30 ALA HA 3.400 . 5.000 2.683 2.683 2.683 . 0 0 "[ ]" 1
763 1 24 LYS HD2 1 30 ALA MB 3.720 . 5.640 2.706 2.706 2.706 . 0 0 "[ ]" 1
764 1 24 LYS HD2 1 33 ILE MD 3.550 . 5.300 3.150 3.150 3.150 . 0 0 "[ ]" 1
765 1 24 LYS HD3 1 28 VAL MG1 5.475 . 9.150 3.615 3.615 3.615 . 0 0 "[ ]" 1
766 1 24 LYS HD3 1 28 VAL MG2 5.475 . 9.150 4.796 4.796 4.796 . 0 0 "[ ]" 1
767 1 24 LYS HD3 1 30 ALA HA 3.400 . 5.000 3.346 3.346 3.346 . 0 0 "[ ]" 1
768 1 24 LYS HD3 1 30 ALA MB 3.720 . 5.640 3.807 3.807 3.807 . 0 0 "[ ]" 1
769 1 24 LYS HD3 1 33 ILE MD 3.550 . 5.300 2.406 2.406 2.406 . 0 0 "[ ]" 1
770 1 24 LYS QE 1 30 ALA H 3.840 . 5.880 3.876 3.876 3.876 . 0 0 "[ ]" 1
771 1 24 LYS QE 1 30 ALA HA 3.840 . 5.880 2.300 2.300 2.300 . 0 0 "[ ]" 1
772 1 24 LYS QE 1 30 ALA MB 3.535 . 5.270 2.156 2.156 2.156 . 0 0 "[ ]" 1
773 1 24 LYS QE 1 33 ILE HB 3.840 . 5.880 5.051 5.051 5.051 . 0 0 "[ ]" 1
774 1 24 LYS QE 1 33 ILE MD 3.935 . 6.070 2.913 2.913 2.913 . 0 0 "[ ]" 1
775 1 24 LYS QE 1 33 ILE QG 4.280 . 6.760 2.743 2.743 2.743 . 0 0 "[ ]" 1
776 1 24 LYS QE 1 33 ILE MG 4.350 . 6.900 3.952 3.952 3.952 . 0 0 "[ ]" 1
777 1 24 LYS QG 1 25 ASP H 3.460 . 5.120 4.382 4.382 4.382 . 0 0 "[ ]" 1
778 1 24 LYS QG 1 28 VAL H 3.840 . 5.880 3.662 3.662 3.662 . 0 0 "[ ]" 1
779 1 24 LYS QG 1 28 VAL HB 3.655 . 5.510 4.309 4.309 4.309 . 0 0 "[ ]" 1
780 1 24 LYS QG 1 28 VAL QG 5.130 . 8.460 4.385 4.385 4.385 . 0 0 "[ ]" 1
781 1 24 LYS QG 1 30 ALA HA 3.840 . 5.880 4.459 4.459 4.459 . 0 0 "[ ]" 1
782 1 24 LYS QG 1 30 ALA MB 3.860 . 5.920 3.627 3.627 3.627 . 0 0 "[ ]" 1
783 1 24 LYS QG 1 33 ILE MD 4.210 . 6.620 4.237 4.237 4.237 . 0 0 "[ ]" 1
784 1 24 LYS QG 1 33 ILE QG 4.280 . 6.760 5.120 5.120 5.120 . 0 0 "[ ]" 1
785 1 25 ASP H 1 25 ASP HA 2.280 . 2.760 2.844 2.844 2.844 0.084 1 0 "[ ]" 1
786 1 25 ASP H 1 25 ASP HB2 2.295 . 2.790 2.232 2.232 2.232 . 0 0 "[ ]" 1
787 1 25 ASP H 1 25 ASP HB3 2.295 . 2.790 2.868 2.868 2.868 0.078 1 0 "[ ]" 1
788 1 25 ASP H 1 26 ALA H 2.490 . 3.180 2.587 2.587 2.587 . 0 0 "[ ]" 1
789 1 25 ASP H 1 26 ALA MB 3.915 . 6.030 4.225 4.225 4.225 . 0 0 "[ ]" 1
790 1 25 ASP H 1 27 GLY H 3.400 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
791 1 25 ASP H 1 28 VAL H 3.400 . 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
792 1 25 ASP H 1 28 VAL QG 4.395 . 6.990 5.148 5.148 5.148 . 0 0 "[ ]" 1
793 1 25 ASP QB 1 26 ALA HA 3.840 . 5.880 3.926 3.926 3.926 . 0 0 "[ ]" 1
794 1 25 ASP HB2 1 26 ALA H 3.010 . 4.220 3.609 3.609 3.609 . 0 0 "[ ]" 1
795 1 25 ASP HB2 1 26 ALA MB 3.915 . 6.030 4.979 4.979 4.979 . 0 0 "[ ]" 1
796 1 25 ASP HB3 1 26 ALA H 3.010 . 4.220 2.709 2.709 2.709 . 0 0 "[ ]" 1
797 1 25 ASP HB3 1 26 ALA MB 3.915 . 6.030 3.828 3.828 3.828 . 0 0 "[ ]" 1
798 1 26 ALA H 1 27 GLY H 2.375 . 2.950 2.510 2.510 2.510 . 0 0 "[ ]" 1
799 1 26 ALA H 1 28 VAL H 2.985 . 4.170 4.019 4.019 4.019 . 0 0 "[ ]" 1
800 1 26 ALA H 1 28 VAL QG 4.410 . 7.020 4.129 4.129 4.129 . 0 0 "[ ]" 1
801 1 26 ALA HA 1 27 GLY QA 3.840 . 5.880 4.273 4.273 4.273 . 0 0 "[ ]" 1
802 1 26 ALA HA 1 62 LEU MD1 3.915 . 6.030 3.683 3.683 3.683 . 0 0 "[ ]" 1
803 1 26 ALA HA 1 62 LEU MD2 3.915 . 6.030 3.867 3.867 3.867 . 0 0 "[ ]" 1
804 1 26 ALA MB 1 27 GLY H 3.070 . 4.340 2.631 2.631 2.631 . 0 0 "[ ]" 1
805 1 26 ALA MB 1 27 GLY HA2 3.915 . 6.030 4.512 4.512 4.512 . 0 0 "[ ]" 1
806 1 26 ALA MB 1 27 GLY HA3 3.915 . 6.030 4.019 4.019 4.019 . 0 0 "[ ]" 1
807 1 26 ALA MB 1 28 VAL H 3.535 . 5.270 3.701 3.701 3.701 . 0 0 "[ ]" 1
808 1 26 ALA MB 1 28 VAL HB 3.420 . 5.040 4.005 4.005 4.005 . 0 0 "[ ]" 1
809 1 26 ALA MB 1 28 VAL QG 5.210 . 8.620 2.518 2.518 2.518 . 0 0 "[ ]" 1
810 1 26 ALA MB 1 62 LEU HA 3.915 . 6.030 4.687 4.687 4.687 . 0 0 "[ ]" 1
811 1 26 ALA MB 1 62 LEU HB2 3.500 . 5.200 3.914 3.914 3.914 . 0 0 "[ ]" 1
812 1 26 ALA MB 1 62 LEU HB3 3.770 . 5.740 2.908 2.908 2.908 . 0 0 "[ ]" 1
813 1 26 ALA MB 1 62 LEU MD1 4.170 . 6.540 1.915 1.915 1.915 . 0 0 "[ ]" 1
814 1 26 ALA MB 1 62 LEU QD 3.975 . 6.150 1.713 1.713 1.713 0.087 1 0 "[ ]" 1
815 1 26 ALA MB 1 62 LEU MD2 4.170 . 6.540 1.930 1.930 1.930 . 0 0 "[ ]" 1
816 1 27 GLY H 1 28 VAL H 2.410 . 3.020 1.979 1.979 1.979 . 0 0 "[ ]" 1
817 1 27 GLY H 1 28 VAL MG1 3.915 . 6.030 5.119 5.119 5.119 . 0 0 "[ ]" 1
818 1 27 GLY H 1 28 VAL MG2 3.915 . 6.030 3.205 3.205 3.205 . 0 0 "[ ]" 1
819 1 27 GLY H 1 62 LEU MD1 3.915 . 6.030 3.114 3.114 3.114 . 0 0 "[ ]" 1
820 1 27 GLY H 1 62 LEU QD 3.685 . 5.570 3.078 3.078 3.078 . 0 0 "[ ]" 1
821 1 27 GLY H 1 62 LEU MD2 3.915 . 6.030 4.839 4.839 4.839 . 0 0 "[ ]" 1
822 1 27 GLY QA 1 28 VAL QG 4.670 . 7.540 3.525 3.525 3.525 . 0 0 "[ ]" 1
823 1 27 GLY QA 1 62 LEU QD 4.675 . 7.550 2.607 2.607 2.607 . 0 0 "[ ]" 1
824 1 27 GLY HA2 1 28 VAL MG1 5.475 . 9.150 5.831 5.831 5.831 . 0 0 "[ ]" 1
825 1 27 GLY HA2 1 28 VAL MG2 5.475 . 9.150 4.258 4.258 4.258 . 0 0 "[ ]" 1
826 1 27 GLY HA2 1 62 LEU MD1 5.485 . 9.170 3.782 3.782 3.782 . 0 0 "[ ]" 1
827 1 27 GLY HA2 1 62 LEU MD2 5.485 . 9.170 5.904 5.904 5.904 . 0 0 "[ ]" 1
828 1 27 GLY HA3 1 28 VAL MG1 5.475 . 9.150 5.960 5.960 5.960 . 0 0 "[ ]" 1
829 1 27 GLY HA3 1 28 VAL MG2 5.475 . 9.150 3.853 3.853 3.853 . 0 0 "[ ]" 1
830 1 27 GLY HA3 1 62 LEU MD1 5.485 . 9.170 2.675 2.675 2.675 . 0 0 "[ ]" 1
831 1 27 GLY HA3 1 62 LEU MD2 5.485 . 9.170 4.739 4.739 4.739 . 0 0 "[ ]" 1
832 1 28 VAL H 1 28 VAL HB 2.490 . 3.180 2.566 2.566 2.566 . 0 0 "[ ]" 1
833 1 28 VAL H 1 28 VAL MG1 3.185 . 4.570 3.844 3.844 3.844 . 0 0 "[ ]" 1
834 1 28 VAL H 1 28 VAL QG 2.890 . 3.980 2.684 2.684 2.684 . 0 0 "[ ]" 1
835 1 28 VAL H 1 28 VAL MG2 3.185 . 4.570 2.739 2.739 2.739 . 0 0 "[ ]" 1
836 1 28 VAL HA 1 29 LYS QB 3.565 . 5.330 4.098 4.098 4.098 . 0 0 "[ ]" 1
837 1 28 VAL HA 1 33 ILE MD 3.915 . 6.030 4.571 4.571 4.571 . 0 0 "[ ]" 1
838 1 28 VAL HA 1 62 LEU QD 4.700 . 7.600 3.423 3.423 3.423 . 0 0 "[ ]" 1
839 1 28 VAL HB 1 29 LYS H 3.060 . 4.320 3.998 3.998 3.998 . 0 0 "[ ]" 1
840 1 28 VAL HB 1 33 ILE MD 3.330 . 4.860 3.010 3.010 3.010 . 0 0 "[ ]" 1
841 1 28 VAL QG 1 29 LYS H 4.500 . 7.200 2.178 2.178 2.178 . 0 0 "[ ]" 1
842 1 28 VAL QG 1 30 ALA H 4.695 . 7.590 4.628 4.628 4.628 . 0 0 "[ ]" 1
843 1 28 VAL QG 1 30 ALA HA 4.695 . 7.590 4.165 4.165 4.165 . 0 0 "[ ]" 1
844 1 28 VAL QG 1 32 ARG QD 4.670 . 7.540 4.439 4.439 4.439 . 0 0 "[ ]" 1
845 1 28 VAL QG 1 33 ILE HA 4.695 . 7.590 3.188 3.188 3.188 . 0 0 "[ ]" 1
846 1 28 VAL QG 1 33 ILE MD 3.920 . 6.040 1.819 1.819 1.819 . 0 0 "[ ]" 1
847 1 28 VAL QG 1 33 ILE QG 4.275 . 6.750 3.379 3.379 3.379 . 0 0 "[ ]" 1
848 1 28 VAL QG 1 61 ILE HA 4.695 . 7.590 4.502 4.502 4.502 . 0 0 "[ ]" 1
849 1 28 VAL QG 1 62 LEU HA 4.695 . 7.590 4.130 4.130 4.130 . 0 0 "[ ]" 1
850 1 28 VAL MG1 1 32 ARG HD2 5.475 . 9.150 5.175 5.175 5.175 . 0 0 "[ ]" 1
851 1 28 VAL MG1 1 32 ARG HD3 5.475 . 9.150 5.077 5.077 5.077 . 0 0 "[ ]" 1
852 1 28 VAL MG1 1 33 ILE HG12 5.200 . 8.600 3.592 3.592 3.592 . 0 0 "[ ]" 1
853 1 28 VAL MG1 1 33 ILE HG13 5.200 . 8.600 4.237 4.237 4.237 . 0 0 "[ ]" 1
854 1 28 VAL MG2 1 32 ARG HD2 5.475 . 9.150 6.853 6.853 6.853 . 0 0 "[ ]" 1
855 1 28 VAL MG2 1 32 ARG HD3 5.475 . 9.150 6.742 6.742 6.742 . 0 0 "[ ]" 1
856 1 28 VAL MG2 1 33 ILE HG12 5.200 . 8.600 6.092 6.092 6.092 . 0 0 "[ ]" 1
857 1 28 VAL MG2 1 33 ILE HG13 5.200 . 8.600 6.420 6.420 6.420 . 0 0 "[ ]" 1
858 1 29 LYS H 1 29 LYS HB2 2.895 . 3.990 2.133 2.133 2.133 . 0 0 "[ ]" 1
859 1 29 LYS H 1 29 LYS QB 2.710 . 3.620 2.108 2.108 2.108 . 0 0 "[ ]" 1
860 1 29 LYS H 1 29 LYS HB3 2.895 . 3.990 3.307 3.307 3.307 . 0 0 "[ ]" 1
861 1 29 LYS H 1 29 LYS HD2 3.125 . 4.450 4.236 4.236 4.236 . 0 0 "[ ]" 1
862 1 29 LYS H 1 29 LYS QD 2.960 . 4.120 3.757 3.757 3.757 . 0 0 "[ ]" 1
863 1 29 LYS H 1 29 LYS HD3 3.125 . 4.450 4.198 4.198 4.198 . 0 0 "[ ]" 1
864 1 29 LYS H 1 29 LYS QG 3.840 . 5.880 3.598 3.598 3.598 . 0 0 "[ ]" 1
865 1 29 LYS HA 1 29 LYS HD2 3.360 . 4.920 4.037 4.037 4.037 . 0 0 "[ ]" 1
866 1 29 LYS HA 1 29 LYS QD 3.095 . 4.390 3.704 3.704 3.704 . 0 0 "[ ]" 1
867 1 29 LYS HA 1 29 LYS HD3 3.360 . 4.920 4.309 4.309 4.309 . 0 0 "[ ]" 1
868 1 29 LYS HA 1 29 LYS QE 3.840 . 5.880 4.430 4.430 4.430 . 0 0 "[ ]" 1
869 1 29 LYS HA 1 30 ALA H 2.205 . 2.610 2.254 2.254 2.254 . 0 0 "[ ]" 1
870 1 29 LYS HA 1 31 ASN H 2.985 . 4.170 3.993 3.993 3.993 . 0 0 "[ ]" 1
871 1 29 LYS HA 1 33 ILE MD 3.915 . 6.030 4.488 4.488 4.488 . 0 0 "[ ]" 1
872 1 29 LYS QB 1 29 LYS QE 3.370 . 4.940 3.323 3.323 3.323 . 0 0 "[ ]" 1
873 1 29 LYS QB 1 31 ASN H 3.085 . 4.370 2.688 2.688 2.688 . 0 0 "[ ]" 1
874 1 29 LYS QB 1 32 ARG HA 3.815 . 5.830 4.798 4.798 4.798 . 0 0 "[ ]" 1
875 1 29 LYS QB 1 32 ARG QB 3.380 . 4.960 3.152 3.152 3.152 . 0 0 "[ ]" 1
876 1 29 LYS QB 1 32 ARG QD 3.205 . 4.610 2.975 2.975 2.975 . 0 0 "[ ]" 1
877 1 29 LYS HB2 1 30 ALA H 3.400 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
878 1 29 LYS HB2 1 32 ARG HB2 3.965 . 6.130 3.493 3.493 3.493 . 0 0 "[ ]" 1
879 1 29 LYS HB2 1 32 ARG HB3 3.965 . 6.130 4.925 4.925 4.925 . 0 0 "[ ]" 1
880 1 29 LYS HB2 1 32 ARG HD2 3.400 . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
881 1 29 LYS HB2 1 32 ARG HD3 3.400 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
882 1 29 LYS HB2 1 32 ARG HG2 3.400 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
883 1 29 LYS HB2 1 32 ARG HG3 3.400 . 5.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
884 1 29 LYS HB3 1 30 ALA H 3.400 . 5.000 3.346 3.346 3.346 . 0 0 "[ ]" 1
885 1 29 LYS HB3 1 32 ARG HB2 3.965 . 6.130 3.786 3.786 3.786 . 0 0 "[ ]" 1
886 1 29 LYS HB3 1 32 ARG HB3 3.965 . 6.130 5.054 5.054 5.054 . 0 0 "[ ]" 1
887 1 29 LYS HB3 1 32 ARG HD2 3.400 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
888 1 29 LYS HB3 1 32 ARG HD3 3.400 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
889 1 29 LYS HB3 1 32 ARG HG2 3.400 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
890 1 29 LYS HB3 1 32 ARG HG3 3.400 . 5.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
891 1 29 LYS QD 1 31 ASN HB2 3.840 . 5.880 4.868 4.868 4.868 . 0 0 "[ ]" 1
892 1 29 LYS QD 1 32 ARG QD 3.560 . 5.320 3.022 3.022 3.022 . 0 0 "[ ]" 1
893 1 29 LYS QE 1 30 ALA H 3.840 . 5.880 5.248 5.248 5.248 . 0 0 "[ ]" 1
894 1 29 LYS QE 1 31 ASN HB2 3.840 . 5.880 4.385 4.385 4.385 . 0 0 "[ ]" 1
895 1 29 LYS QE 1 31 ASN HB3 3.840 . 5.880 4.778 4.778 4.778 . 0 0 "[ ]" 1
896 1 29 LYS QG 1 31 ASN H 3.565 . 5.330 3.495 3.495 3.495 . 0 0 "[ ]" 1
897 1 29 LYS QG 1 32 ARG H 3.840 . 5.880 4.392 4.392 4.392 . 0 0 "[ ]" 1
898 1 29 LYS O 1 32 ARG H 2.000 . 2.300 2.147 2.147 2.147 . 0 0 "[ ]" 1
899 1 29 LYS O 1 32 ARG N 3.000 2.700 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 1
900 1 30 ALA H 1 31 ASN H 2.530 . 3.260 2.637 2.637 2.637 . 0 0 "[ ]" 1
901 1 30 ALA H 1 32 ARG H 3.050 . 4.300 4.082 4.082 4.082 . 0 0 "[ ]" 1
902 1 30 ALA H 1 33 ILE MD 3.915 . 6.030 4.221 4.221 4.221 . 0 0 "[ ]" 1
903 1 30 ALA HA 1 32 ARG H 2.840 . 3.880 3.891 3.891 3.891 0.011 1 0 "[ ]" 1
904 1 30 ALA HA 1 33 ILE HA 3.400 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
905 1 30 ALA HA 1 33 ILE HB 2.920 . 4.040 4.054 4.054 4.054 0.014 1 0 "[ ]" 1
906 1 30 ALA HA 1 33 ILE MD 3.070 . 4.340 2.594 2.594 2.594 . 0 0 "[ ]" 1
907 1 30 ALA HA 1 33 ILE HG12 3.400 . 5.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
908 1 30 ALA HA 1 33 ILE HG13 3.400 . 5.000 2.086 2.086 2.086 . 0 0 "[ ]" 1
909 1 30 ALA HA 1 33 ILE MG 3.915 . 6.030 4.114 4.114 4.114 . 0 0 "[ ]" 1
910 1 30 ALA MB 1 31 ASN H 2.900 . 4.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
911 1 30 ALA MB 1 31 ASN HA 3.340 . 4.880 3.828 3.828 3.828 . 0 0 "[ ]" 1
912 1 30 ALA MB 1 31 ASN HB2 3.915 . 6.030 4.194 4.194 4.194 . 0 0 "[ ]" 1
913 1 30 ALA MB 1 33 ILE MD 4.090 . 6.380 3.883 3.883 3.883 . 0 0 "[ ]" 1
914 1 30 ALA MB 1 33 ILE HG12 3.915 . 6.030 3.718 3.718 3.718 . 0 0 "[ ]" 1
915 1 30 ALA MB 1 33 ILE QG 3.780 . 5.760 3.152 3.152 3.152 . 0 0 "[ ]" 1
916 1 30 ALA MB 1 33 ILE HG13 3.915 . 6.030 3.405 3.405 3.405 . 0 0 "[ ]" 1
917 1 30 ALA MB 1 33 ILE MG 4.430 . 7.060 4.798 4.798 4.798 . 0 0 "[ ]" 1
918 1 31 ASN H 1 31 ASN HB2 2.410 . 3.020 2.087 2.087 2.087 . 0 0 "[ ]" 1
919 1 31 ASN H 1 31 ASN HB3 2.440 . 3.080 3.129 3.129 3.129 0.049 1 0 "[ ]" 1
920 1 31 ASN H 1 31 ASN HD22 3.400 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
921 1 31 ASN H 1 32 ARG H 2.205 . 2.610 2.612 2.612 2.612 0.002 1 0 "[ ]" 1
922 1 31 ASN HA 1 31 ASN HD22 3.400 . 5.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
923 1 31 ASN HB3 1 32 ARG H 3.115 . 4.430 3.144 3.144 3.144 . 0 0 "[ ]" 1
924 1 31 ASN HB3 1 32 ARG QD 3.840 . 5.880 4.608 4.608 4.608 . 0 0 "[ ]" 1
925 1 31 ASN HB3 1 32 ARG QG 3.840 . 5.880 2.672 2.672 2.672 . 0 0 "[ ]" 1
926 1 32 ARG H 1 32 ARG QB 2.660 . 3.520 2.791 2.791 2.791 . 0 0 "[ ]" 1
927 1 32 ARG H 1 32 ARG QD 3.735 . 5.670 4.189 4.189 4.189 . 0 0 "[ ]" 1
928 1 32 ARG H 1 32 ARG QG 3.840 . 5.880 2.336 2.336 2.336 . 0 0 "[ ]" 1
929 1 32 ARG H 1 33 ILE H 2.930 . 4.060 3.447 3.447 3.447 . 0 0 "[ ]" 1
930 1 32 ARG H 1 33 ILE MD 3.915 . 6.030 3.957 3.957 3.957 . 0 0 "[ ]" 1
931 1 32 ARG HA 1 32 ARG HD2 3.375 . 4.950 4.998 4.998 4.998 0.048 1 0 "[ ]" 1
932 1 32 ARG HA 1 32 ARG QD 3.205 . 4.610 4.005 4.005 4.005 . 0 0 "[ ]" 1
933 1 32 ARG HA 1 32 ARG HD3 3.375 . 4.950 4.215 4.215 4.215 . 0 0 "[ ]" 1
934 1 32 ARG HA 1 34 PHE QD 4.460 . 7.120 4.178 4.178 4.178 . 0 0 "[ ]" 1
935 1 32 ARG QB 1 32 ARG QD 2.675 . 3.550 2.051 2.051 2.051 . 0 0 "[ ]" 1
936 1 33 ILE H 1 33 ILE HB 2.375 . 2.950 2.595 2.595 2.595 . 0 0 "[ ]" 1
937 1 33 ILE H 1 33 ILE MD 3.460 . 5.120 3.720 3.720 3.720 . 0 0 "[ ]" 1
938 1 33 ILE H 1 33 ILE HG12 3.400 . 5.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
939 1 33 ILE H 1 33 ILE QG 3.155 . 4.510 2.726 2.726 2.726 . 0 0 "[ ]" 1
940 1 33 ILE H 1 33 ILE HG13 3.400 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
941 1 33 ILE H 1 33 ILE MG 3.340 . 4.880 3.863 3.863 3.863 . 0 0 "[ ]" 1
942 1 33 ILE H 1 34 PHE H 3.050 . 4.300 3.837 3.837 3.837 . 0 0 "[ ]" 1
943 1 33 ILE HA 1 33 ILE MD 3.175 . 4.550 1.951 1.951 1.951 . 0 0 "[ ]" 1
944 1 33 ILE HA 1 34 PHE H 2.425 . 3.050 2.332 2.332 2.332 . 0 0 "[ ]" 1
945 1 33 ILE HA 1 34 PHE HA 3.270 . 4.740 4.556 4.556 4.556 . 0 0 "[ ]" 1
946 1 33 ILE HA 1 34 PHE QD 4.460 . 7.120 4.571 4.571 4.571 . 0 0 "[ ]" 1
947 1 33 ILE HB 1 34 PHE H 3.310 . 4.820 4.498 4.498 4.498 . 0 0 "[ ]" 1
948 1 33 ILE HB 1 35 THR H 3.400 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
949 1 33 ILE MG 1 34 PHE HA 3.915 . 6.030 4.281 4.281 4.281 . 0 0 "[ ]" 1
950 1 33 ILE MG 1 34 PHE QD 4.975 . 8.150 5.462 5.462 5.462 . 0 0 "[ ]" 1
951 1 33 ILE MG 1 35 THR HA 3.915 . 6.030 3.795 3.795 3.795 . 0 0 "[ ]" 1
952 1 33 ILE MG 1 35 THR HB 3.915 . 6.030 2.499 2.499 2.499 . 0 0 "[ ]" 1
953 1 33 ILE MG 1 35 THR MG 4.430 . 7.060 2.812 2.812 2.812 . 0 0 "[ ]" 1
954 1 34 PHE H 1 34 PHE HB2 2.895 . 3.990 2.239 2.239 2.239 . 0 0 "[ ]" 1
955 1 34 PHE H 1 34 PHE QE 4.460 . 7.120 4.887 4.887 4.887 . 0 0 "[ ]" 1
956 1 34 PHE H 1 51 LEU MD1 3.915 . 6.030 3.572 3.572 3.572 . 0 0 "[ ]" 1
957 1 34 PHE HA 1 35 THR H 2.230 . 2.660 2.415 2.415 2.415 . 0 0 "[ ]" 1
958 1 34 PHE HA 1 35 THR MG 3.915 . 6.030 3.745 3.745 3.745 . 0 0 "[ ]" 1
959 1 34 PHE HA 1 51 LEU MD1 3.915 . 6.030 4.422 4.422 4.422 . 0 0 "[ ]" 1
960 1 34 PHE HB2 1 35 THR H 3.400 . 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
961 1 34 PHE HB2 1 51 LEU MD1 3.890 . 5.980 2.092 2.092 2.092 . 0 0 "[ ]" 1
962 1 34 PHE HB2 1 51 LEU MD2 3.915 . 6.030 3.634 3.634 3.634 . 0 0 "[ ]" 1
963 1 34 PHE HB3 1 35 THR H 3.400 . 5.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
964 1 34 PHE HB3 1 51 LEU MD1 3.915 . 6.030 2.933 2.933 2.933 . 0 0 "[ ]" 1
965 1 34 PHE HB3 1 51 LEU MD2 3.915 . 6.030 4.238 4.238 4.238 . 0 0 "[ ]" 1
966 1 34 PHE QD 1 35 THR H 4.460 . 7.120 4.655 4.655 4.655 . 0 0 "[ ]" 1
967 1 34 PHE QD 1 47 GLY QA 4.900 . 8.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
968 1 34 PHE QD 1 50 LEU H 4.460 . 7.120 4.231 4.231 4.231 . 0 0 "[ ]" 1
969 1 34 PHE QD 1 50 LEU HB2 4.460 . 7.120 2.651 2.651 2.651 . 0 0 "[ ]" 1
970 1 34 PHE QD 1 50 LEU HB3 4.460 . 7.120 4.069 4.069 4.069 . 0 0 "[ ]" 1
971 1 34 PHE QD 1 50 LEU MD1 4.975 . 8.150 2.588 2.588 2.588 . 0 0 "[ ]" 1
972 1 34 PHE QD 1 50 LEU MD2 4.975 . 8.150 4.811 4.811 4.811 . 0 0 "[ ]" 1
973 1 34 PHE QD 1 50 LEU HG 4.460 . 7.120 4.519 4.519 4.519 . 0 0 "[ ]" 1
974 1 34 PHE QD 1 51 LEU H 4.460 . 7.120 4.092 4.092 4.092 . 0 0 "[ ]" 1
975 1 34 PHE QD 1 51 LEU HA 4.460 . 7.120 4.069 4.069 4.069 . 0 0 "[ ]" 1
976 1 34 PHE QD 1 51 LEU MD1 4.975 . 8.150 2.094 2.094 2.094 . 0 0 "[ ]" 1
977 1 34 PHE QD 1 51 LEU MD2 4.975 . 8.150 4.188 4.188 4.188 . 0 0 "[ ]" 1
978 1 34 PHE QD 1 51 LEU HG 4.460 . 7.120 4.662 4.662 4.662 . 0 0 "[ ]" 1
979 1 34 PHE QD 1 54 LYS HG2 4.460 . 7.120 6.311 6.311 6.311 . 0 0 "[ ]" 1
980 1 34 PHE QD 1 54 LYS HG3 4.460 . 7.120 4.928 4.928 4.928 . 0 0 "[ ]" 1
981 1 34 PHE QE 1 50 LEU H 4.460 . 7.120 4.731 4.731 4.731 . 0 0 "[ ]" 1
982 1 34 PHE QE 1 50 LEU HA 4.460 . 7.120 4.690 4.690 4.690 . 0 0 "[ ]" 1
983 1 34 PHE QE 1 50 LEU HB2 4.460 . 7.120 2.221 2.221 2.221 . 0 0 "[ ]" 1
984 1 34 PHE QE 1 50 LEU HB3 4.460 . 7.120 2.474 2.474 2.474 . 0 0 "[ ]" 1
985 1 34 PHE QE 1 50 LEU MD1 4.675 . 7.550 2.237 2.237 2.237 . 0 0 "[ ]" 1
986 1 34 PHE QE 1 50 LEU MD2 4.675 . 7.550 3.597 3.597 3.597 . 0 0 "[ ]" 1
987 1 34 PHE QE 1 50 LEU HG 4.460 . 7.120 4.321 4.321 4.321 . 0 0 "[ ]" 1
988 1 34 PHE QE 1 51 LEU H 4.460 . 7.120 4.576 4.576 4.576 . 0 0 "[ ]" 1
989 1 34 PHE QE 1 54 LYS HA 4.460 . 7.120 5.279 5.279 5.279 . 0 0 "[ ]" 1
990 1 34 PHE QE 1 54 LYS HB2 4.460 . 7.120 3.437 3.437 3.437 . 0 0 "[ ]" 1
991 1 34 PHE QE 1 54 LYS HB3 4.460 . 7.120 2.851 2.851 2.851 . 0 0 "[ ]" 1
992 1 34 PHE QE 1 54 LYS HE2 4.460 . 7.120 5.353 5.353 5.353 . 0 0 "[ ]" 1
993 1 34 PHE QE 1 54 LYS HE3 4.460 . 7.120 4.551 4.551 4.551 . 0 0 "[ ]" 1
994 1 34 PHE QE 1 54 LYS HG2 4.460 . 7.120 4.478 4.478 4.478 . 0 0 "[ ]" 1
995 1 34 PHE QE 1 54 LYS HG3 4.460 . 7.120 3.182 3.182 3.182 . 0 0 "[ ]" 1
996 1 35 THR H 1 35 THR HB 2.985 . 4.170 2.716 2.716 2.716 . 0 0 "[ ]" 1
997 1 35 THR HB 1 36 ASP H 3.025 . 4.250 3.619 3.619 3.619 . 0 0 "[ ]" 1
998 1 35 THR MG 1 36 ASP H 3.900 . 6.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
999 1 35 THR MG 1 37 LYS HD2 3.915 . 6.030 4.640 4.640 4.640 . 0 0 "[ ]" 1
1000 1 35 THR MG 1 37 LYS HD3 3.915 . 6.030 3.130 3.130 3.130 . 0 0 "[ ]" 1
1001 1 35 THR MG 1 37 LYS QE 4.155 . 6.510 3.925 3.925 3.925 . 0 0 "[ ]" 1
1002 1 36 ASP H 1 36 ASP HB3 2.930 . 4.060 3.692 3.692 3.692 . 0 0 "[ ]" 1
1003 1 36 ASP H 1 37 LYS H 3.335 . 4.870 3.984 3.984 3.984 . 0 0 "[ ]" 1
1004 1 36 ASP HA 1 37 LYS H 2.505 . 3.210 2.218 2.218 2.218 . 0 0 "[ ]" 1
1005 1 36 ASP HA 1 37 LYS QB 3.840 . 5.880 4.467 4.467 4.467 . 0 0 "[ ]" 1
1006 1 36 ASP HA 1 45 ARG HA 3.400 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
1007 1 36 ASP HA 1 46 LYS QB 3.840 . 5.880 4.105 4.105 4.105 . 0 0 "[ ]" 1
1008 1 36 ASP HB2 1 37 LYS H 3.400 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
1009 1 36 ASP HB3 1 37 LYS H 3.400 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
1010 1 36 ASP HB3 1 38 ALA MB 3.915 . 6.030 3.355 3.355 3.355 . 0 0 "[ ]" 1
1011 1 36 ASP HB3 1 45 ARG HA 3.400 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
1012 1 36 ASP OD1 1 47 GLY H 2.000 . 2.300 1.760 1.760 1.760 . 0 0 "[ ]" 1
1013 1 36 ASP OD1 1 47 GLY N 3.000 2.700 3.300 2.677 2.677 2.677 0.023 1 0 "[ ]" 1
1014 1 37 LYS H 1 37 LYS HD2 3.400 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
1015 1 37 LYS H 1 37 LYS HD3 3.400 . 5.000 3.874 3.874 3.874 . 0 0 "[ ]" 1
1016 1 37 LYS H 1 37 LYS QG 3.840 . 5.880 2.192 2.192 2.192 . 0 0 "[ ]" 1
1017 1 37 LYS HA 1 37 LYS HD2 2.840 . 3.880 2.119 2.119 2.119 . 0 0 "[ ]" 1
1018 1 37 LYS HA 1 37 LYS QD 2.755 . 3.710 2.055 2.055 2.055 . 0 0 "[ ]" 1
1019 1 37 LYS HA 1 37 LYS HD3 2.840 . 3.880 2.771 2.771 2.771 . 0 0 "[ ]" 1
1020 1 37 LYS HA 1 37 LYS QE 3.630 . 5.460 4.150 4.150 4.150 . 0 0 "[ ]" 1
1021 1 37 LYS HA 1 38 ALA MB 3.720 . 5.640 4.259 4.259 4.259 . 0 0 "[ ]" 1
1022 1 37 LYS QB 1 37 LYS QE 3.210 . 4.620 3.452 3.452 3.452 . 0 0 "[ ]" 1
1023 1 37 LYS QB 1 38 ALA MB 4.355 . 6.910 4.963 4.963 4.963 . 0 0 "[ ]" 1
1024 1 37 LYS QB 1 39 SER H 3.660 . 5.520 3.701 3.701 3.701 . 0 0 "[ ]" 1
1025 1 37 LYS QB 1 44 ASP QB 4.280 . 6.760 3.264 3.264 3.264 . 0 0 "[ ]" 1
1026 1 37 LYS HB2 1 37 LYS QE 3.590 . 5.380 4.224 4.224 4.224 . 0 0 "[ ]" 1
1027 1 37 LYS HB3 1 37 LYS QE 3.590 . 5.380 3.662 3.662 3.662 . 0 0 "[ ]" 1
1028 1 38 ALA H 1 39 SER H 2.660 . 3.520 2.733 2.733 2.733 . 0 0 "[ ]" 1
1029 1 38 ALA HA 1 43 SER HA 2.505 . 3.210 2.761 2.761 2.761 . 0 0 "[ ]" 1
1030 1 38 ALA HA 1 43 SER HB2 3.400 . 5.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
1031 1 38 ALA HA 1 43 SER HB3 3.400 . 5.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
1032 1 38 ALA HA 1 44 ASP H 3.050 . 4.300 1.996 1.996 1.996 . 0 0 "[ ]" 1
1033 1 38 ALA HA 1 44 ASP HA 3.230 . 4.660 4.687 4.687 4.687 0.027 1 0 "[ ]" 1
1034 1 38 ALA HA 1 44 ASP QB 3.760 . 5.720 2.679 2.679 2.679 . 0 0 "[ ]" 1
1035 1 38 ALA MB 1 40 GLY H 3.915 . 6.030 4.230 4.230 4.230 . 0 0 "[ ]" 1
1036 1 38 ALA MB 1 43 SER HA 3.915 . 6.030 2.952 2.952 2.952 . 0 0 "[ ]" 1
1037 1 38 ALA MB 1 43 SER HB2 3.915 . 6.030 4.347 4.347 4.347 . 0 0 "[ ]" 1
1038 1 38 ALA MB 1 43 SER QB 3.810 . 5.820 3.625 3.625 3.625 . 0 0 "[ ]" 1
1039 1 38 ALA MB 1 43 SER HB3 3.915 . 6.030 3.881 3.881 3.881 . 0 0 "[ ]" 1
1040 1 38 ALA MB 1 44 ASP H 3.915 . 6.030 3.071 3.071 3.071 . 0 0 "[ ]" 1
1041 1 38 ALA MB 1 44 ASP QB 4.350 . 6.900 3.879 3.879 3.879 . 0 0 "[ ]" 1
1042 1 39 SER H 1 40 GLY H 2.775 . 3.750 3.764 3.764 3.764 0.014 1 0 "[ ]" 1
1043 1 39 SER H 1 44 ASP QB 3.840 . 5.880 4.900 4.900 4.900 . 0 0 "[ ]" 1
1044 1 39 SER HA 1 40 GLY QA 3.840 . 5.880 4.066 4.066 4.066 . 0 0 "[ ]" 1
1045 1 40 GLY H 1 40 GLY HA2 2.375 . 2.950 2.966 2.966 2.966 0.016 1 0 "[ ]" 1
1046 1 40 GLY H 1 40 GLY HA3 2.375 . 2.950 2.656 2.656 2.656 . 0 0 "[ ]" 1
1047 1 40 GLY QA 1 42 SER H 3.840 . 5.880 3.349 3.349 3.349 . 0 0 "[ ]" 1
1048 1 42 SER H 1 42 SER HB2 2.855 . 3.910 2.789 2.789 2.789 . 0 0 "[ ]" 1
1049 1 42 SER H 1 42 SER QB 2.740 . 3.680 2.718 2.718 2.718 . 0 0 "[ ]" 1
1050 1 42 SER H 1 42 SER HB3 2.855 . 3.910 3.755 3.755 3.755 . 0 0 "[ ]" 1
1051 1 43 SER H 1 43 SER HB2 2.985 . 4.170 3.519 3.519 3.519 . 0 0 "[ ]" 1
1052 1 43 SER H 1 43 SER QB 2.830 . 3.860 2.843 2.843 2.843 . 0 0 "[ ]" 1
1053 1 43 SER H 1 43 SER HB3 2.985 . 4.170 3.002 3.002 3.002 . 0 0 "[ ]" 1
1054 1 43 SER HA 1 43 SER HB2 2.410 . 3.020 2.674 2.674 2.674 . 0 0 "[ ]" 1
1055 1 43 SER HA 1 43 SER HB3 2.410 . 3.020 2.305 2.305 2.305 . 0 0 "[ ]" 1
1056 1 43 SER HA 1 44 ASP H 2.230 . 2.660 2.193 2.193 2.193 . 0 0 "[ ]" 1
1057 1 43 SER HA 1 44 ASP QB 3.840 . 5.880 4.182 4.182 4.182 . 0 0 "[ ]" 1
1058 1 43 SER QB 1 44 ASP H 2.760 . 3.720 3.239 3.239 3.239 . 0 0 "[ ]" 1
1059 1 43 SER HB2 1 44 ASP H 2.995 . 4.190 3.421 3.421 3.421 . 0 0 "[ ]" 1
1060 1 43 SER HB3 1 44 ASP H 2.995 . 4.190 4.005 4.005 4.005 . 0 0 "[ ]" 1
1061 1 44 ASP H 1 44 ASP QB 2.745 . 3.690 2.244 2.244 2.244 . 0 0 "[ ]" 1
1062 1 44 ASP H 1 45 ARG H 2.790 . 3.780 3.639 3.639 3.639 . 0 0 "[ ]" 1
1063 1 44 ASP HA 1 46 LYS QD 3.840 . 5.880 5.157 5.157 5.157 . 0 0 "[ ]" 1
1064 1 44 ASP HA 1 46 LYS QE 3.840 . 5.880 4.811 4.811 4.811 . 0 0 "[ ]" 1
1065 1 44 ASP HA 1 46 LYS HG2 3.400 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
1066 1 44 ASP HA 1 46 LYS HG3 3.400 . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
1067 1 44 ASP QB 1 46 LYS H 3.840 . 5.880 3.601 3.601 3.601 . 0 0 "[ ]" 1
1068 1 44 ASP QB 1 46 LYS QD 4.275 . 6.750 5.026 5.026 5.026 . 0 0 "[ ]" 1
1069 1 44 ASP QB 1 46 LYS QE 4.275 . 6.750 3.921 3.921 3.921 . 0 0 "[ ]" 1
1070 1 44 ASP QB 1 46 LYS HG2 3.840 . 5.880 4.265 4.265 4.265 . 0 0 "[ ]" 1
1071 1 44 ASP QB 1 46 LYS HG3 3.840 . 5.880 3.072 3.072 3.072 . 0 0 "[ ]" 1
1072 1 45 ARG H 1 45 ARG QD 3.840 . 5.880 3.744 3.744 3.744 . 0 0 "[ ]" 1
1073 1 45 ARG H 1 45 ARG QG 3.205 . 4.610 2.646 2.646 2.646 . 0 0 "[ ]" 1
1074 1 45 ARG H 1 46 LYS H 3.140 . 4.480 3.890 3.890 3.890 . 0 0 "[ ]" 1
1075 1 45 ARG HA 1 45 ARG HB2 2.425 . 3.050 3.016 3.016 3.016 . 0 0 "[ ]" 1
1076 1 45 ARG HA 1 45 ARG HB3 2.425 . 3.050 2.602 2.602 2.602 . 0 0 "[ ]" 1
1077 1 45 ARG HA 1 45 ARG QD 3.175 . 4.550 3.982 3.982 3.982 . 0 0 "[ ]" 1
1078 1 45 ARG HA 1 45 ARG HG2 2.465 . 3.130 2.456 2.456 2.456 . 0 0 "[ ]" 1
1079 1 45 ARG HA 1 45 ARG QG 2.335 . 2.870 2.284 2.284 2.284 . 0 0 "[ ]" 1
1080 1 45 ARG HA 1 45 ARG HG3 2.465 . 3.130 2.718 2.718 2.718 . 0 0 "[ ]" 1
1081 1 45 ARG HA 1 48 LEU MD1 3.915 . 6.030 3.082 3.082 3.082 . 0 0 "[ ]" 1
1082 1 45 ARG HA 1 48 LEU MD2 3.915 . 6.030 4.681 4.681 4.681 . 0 0 "[ ]" 1
1083 1 45 ARG QB 1 48 LEU QD 4.030 . 6.260 2.258 2.258 2.258 . 0 0 "[ ]" 1
1084 1 45 ARG HB2 1 48 LEU MD1 4.790 . 7.780 3.800 3.800 3.800 . 0 0 "[ ]" 1
1085 1 45 ARG HB2 1 48 LEU MD2 4.790 . 7.780 5.341 5.341 5.341 . 0 0 "[ ]" 1
1086 1 45 ARG HB3 1 48 LEU MD1 4.790 . 7.780 2.291 2.291 2.291 . 0 0 "[ ]" 1
1087 1 45 ARG HB3 1 48 LEU MD2 4.790 . 7.780 3.964 3.964 3.964 . 0 0 "[ ]" 1
1088 1 45 ARG QD 1 48 LEU QD 5.135 . 8.470 3.202 3.202 3.202 . 0 0 "[ ]" 1
1089 1 45 ARG QG 1 48 LEU QD 3.930 . 6.060 2.797 2.797 2.797 . 0 0 "[ ]" 1
1090 1 45 ARG HG2 1 48 LEU MD1 4.530 . 7.260 2.983 2.983 2.983 . 0 0 "[ ]" 1
1091 1 45 ARG HG2 1 48 LEU MD2 4.530 . 7.260 3.611 3.611 3.611 . 0 0 "[ ]" 1
1092 1 45 ARG HG3 1 48 LEU MD1 4.530 . 7.260 4.272 4.272 4.272 . 0 0 "[ ]" 1
1093 1 45 ARG HG3 1 48 LEU MD2 4.530 . 7.260 5.131 5.131 5.131 . 0 0 "[ ]" 1
1094 1 46 LYS H 1 46 LYS QB 2.850 . 3.900 2.518 2.518 2.518 . 0 0 "[ ]" 1
1095 1 46 LYS H 1 46 LYS QD 3.840 . 5.880 4.629 4.629 4.629 . 0 0 "[ ]" 1
1096 1 46 LYS H 1 46 LYS HG2 2.985 . 4.170 3.175 3.175 3.175 . 0 0 "[ ]" 1
1097 1 46 LYS H 1 46 LYS QG 2.855 . 3.910 2.873 2.873 2.873 . 0 0 "[ ]" 1
1098 1 46 LYS H 1 46 LYS HG3 2.985 . 4.170 3.282 3.282 3.282 . 0 0 "[ ]" 1
1099 1 46 LYS H 1 47 GLY H 3.400 . 5.000 1.987 1.987 1.987 . 0 0 "[ ]" 1
1100 1 46 LYS HA 1 46 LYS QD 3.110 . 4.420 3.174 3.174 3.174 . 0 0 "[ ]" 1
1101 1 46 LYS HA 1 46 LYS QE 3.840 . 5.880 4.575 4.575 4.575 . 0 0 "[ ]" 1
1102 1 46 LYS HA 1 46 LYS HG2 2.960 . 4.120 2.364 2.364 2.364 . 0 0 "[ ]" 1
1103 1 46 LYS HA 1 46 LYS QG 2.815 . 3.830 2.334 2.334 2.334 . 0 0 "[ ]" 1
1104 1 46 LYS HA 1 46 LYS HG3 2.960 . 4.120 3.600 3.600 3.600 . 0 0 "[ ]" 1
1105 1 46 LYS HA 1 47 GLY QA 3.735 . 5.670 4.519 4.519 4.519 . 0 0 "[ ]" 1
1106 1 46 LYS HA 1 49 ASP H 3.245 . 4.690 3.425 3.425 3.425 . 0 0 "[ ]" 1
1107 1 46 LYS HA 1 49 ASP HB2 2.725 . 3.650 2.293 2.293 2.293 . 0 0 "[ ]" 1
1108 1 46 LYS HA 1 49 ASP HB3 2.725 . 3.650 2.386 2.386 2.386 . 0 0 "[ ]" 1
1109 1 46 LYS HA 1 50 LEU HG 3.400 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
1110 1 46 LYS QB 1 46 LYS QE 4.275 . 6.750 2.664 2.664 2.664 . 0 0 "[ ]" 1
1111 1 46 LYS QB 1 47 GLY QA 4.275 . 6.750 3.775 3.775 3.775 . 0 0 "[ ]" 1
1112 1 46 LYS QB 1 49 ASP H 3.590 . 5.380 4.830 4.830 4.830 . 0 0 "[ ]" 1
1113 1 46 LYS QB 1 49 ASP HB2 3.840 . 5.880 4.332 4.332 4.332 . 0 0 "[ ]" 1
1114 1 46 LYS QB 1 49 ASP HB3 3.840 . 5.880 3.830 3.830 3.830 . 0 0 "[ ]" 1
1115 1 46 LYS QB 1 50 LEU QB 4.280 . 6.760 4.519 4.519 4.519 . 0 0 "[ ]" 1
1116 1 46 LYS QB 1 50 LEU MD1 4.350 . 6.900 2.304 2.304 2.304 . 0 0 "[ ]" 1
1117 1 46 LYS QB 1 50 LEU MD2 4.350 . 6.900 3.794 3.794 3.794 . 0 0 "[ ]" 1
1118 1 46 LYS QD 1 50 LEU MD1 4.350 . 6.900 3.109 3.109 3.109 . 0 0 "[ ]" 1
1119 1 46 LYS QD 1 50 LEU QD 3.960 . 6.120 2.952 2.952 2.952 . 0 0 "[ ]" 1
1120 1 46 LYS QD 1 50 LEU MD2 4.350 . 6.900 3.682 3.682 3.682 . 0 0 "[ ]" 1
1121 1 46 LYS QE 1 46 LYS QG 2.760 . 3.720 1.975 1.975 1.975 . 0 0 "[ ]" 1
1122 1 46 LYS QE 1 50 LEU MD1 4.350 . 6.900 3.631 3.631 3.631 . 0 0 "[ ]" 1
1123 1 46 LYS QE 1 50 LEU MD2 4.350 . 6.900 4.695 4.695 4.695 . 0 0 "[ ]" 1
1124 1 46 LYS QG 1 50 LEU QD 4.030 . 6.260 4.025 4.025 4.025 . 0 0 "[ ]" 1
1125 1 46 LYS HG2 1 50 LEU MD1 4.790 . 7.780 4.685 4.685 4.685 . 0 0 "[ ]" 1
1126 1 46 LYS HG2 1 50 LEU MD2 4.790 . 7.780 5.621 5.621 5.621 . 0 0 "[ ]" 1
1127 1 46 LYS HG3 1 50 LEU MD1 4.790 . 7.780 4.728 4.728 4.728 . 0 0 "[ ]" 1
1128 1 46 LYS HG3 1 50 LEU MD2 4.790 . 7.780 6.101 6.101 6.101 . 0 0 "[ ]" 1
1129 1 46 LYS O 1 50 LEU H 2.000 . 2.300 2.030 2.030 2.030 . 0 0 "[ ]" 1
1130 1 46 LYS O 1 50 LEU N 3.000 2.700 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 1
1131 1 47 GLY H 1 48 LEU H 2.970 . 4.140 3.063 3.063 3.063 . 0 0 "[ ]" 1
1132 1 47 GLY QA 1 50 LEU H 3.355 . 4.910 3.636 3.636 3.636 . 0 0 "[ ]" 1
1133 1 47 GLY QA 1 50 LEU QB 4.280 . 6.760 3.550 3.550 3.550 . 0 0 "[ ]" 1
1134 1 47 GLY QA 1 51 LEU HB2 3.655 . 5.510 3.866 3.866 3.866 . 0 0 "[ ]" 1
1135 1 47 GLY QA 1 51 LEU MD1 4.350 . 6.900 4.102 4.102 4.102 . 0 0 "[ ]" 1
1136 1 47 GLY O 1 51 LEU H 2.000 . 2.300 1.741 1.741 1.741 . 0 0 "[ ]" 1
1137 1 47 GLY O 1 51 LEU N 3.000 2.700 3.300 2.632 2.632 2.632 0.068 1 0 "[ ]" 1
1138 1 48 LEU H 1 48 LEU HB3 2.620 . 3.440 3.258 3.258 3.258 . 0 0 "[ ]" 1
1139 1 48 LEU H 1 48 LEU MD1 3.720 . 5.640 1.939 1.939 1.939 . 0 0 "[ ]" 1
1140 1 48 LEU H 1 48 LEU MD2 3.720 . 5.640 3.594 3.594 3.594 . 0 0 "[ ]" 1
1141 1 48 LEU H 1 48 LEU HG 3.400 . 5.000 1.905 1.905 1.905 . 0 0 "[ ]" 1
1142 1 48 LEU H 1 49 ASP H 2.710 . 3.620 2.640 2.640 2.640 . 0 0 "[ ]" 1
1143 1 48 LEU HA 1 48 LEU MD1 3.395 . 4.990 3.510 3.510 3.510 . 0 0 "[ ]" 1
1144 1 48 LEU HA 1 48 LEU MD2 3.395 . 4.990 4.084 4.084 4.084 . 0 0 "[ ]" 1
1145 1 48 LEU HA 1 51 LEU H 2.645 . 3.490 2.972 2.972 2.972 . 0 0 "[ ]" 1
1146 1 48 LEU HA 1 51 LEU HB2 2.765 . 3.730 2.237 2.237 2.237 . 0 0 "[ ]" 1
1147 1 48 LEU HA 1 51 LEU HB3 2.960 . 4.120 2.090 2.090 2.090 . 0 0 "[ ]" 1
1148 1 48 LEU HA 1 51 LEU MD1 3.850 . 5.900 3.978 3.978 3.978 . 0 0 "[ ]" 1
1149 1 48 LEU HA 1 51 LEU MD2 3.915 . 6.030 2.920 2.920 2.920 . 0 0 "[ ]" 1
1150 1 48 LEU HA 1 51 LEU HG 3.400 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
1151 1 48 LEU HA 1 52 ARG QD 3.840 . 5.880 4.402 4.402 4.402 . 0 0 "[ ]" 1
1152 1 48 LEU HA 1 79 LEU QD 4.505 . 7.210 4.853 4.853 4.853 . 0 0 "[ ]" 1
1153 1 48 LEU HB2 1 79 LEU HG 3.400 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
1154 1 48 LEU HB2 1 83 PHE QE 4.460 . 7.120 4.311 4.311 4.311 . 0 0 "[ ]" 1
1155 1 48 LEU QD 1 49 ASP HA 4.700 . 7.600 3.153 3.153 3.153 . 0 0 "[ ]" 1
1156 1 48 LEU QD 1 51 LEU H 4.700 . 7.600 4.569 4.569 4.569 . 0 0 "[ ]" 1
1157 1 48 LEU QD 1 52 ARG QG 5.135 . 8.470 4.457 4.457 4.457 . 0 0 "[ ]" 1
1158 1 48 LEU QD 1 63 VAL QG 5.995 . 10.190 4.793 4.793 4.793 . 0 0 "[ ]" 1
1159 1 48 LEU QD 1 79 LEU QD 5.145 . 8.490 2.832 2.832 2.832 . 0 0 "[ ]" 1
1160 1 48 LEU QD 1 83 PHE QD 5.760 . 9.720 5.782 5.782 5.782 . 0 0 "[ ]" 1
1161 1 48 LEU MD1 1 52 ARG HD2 3.915 . 6.030 4.552 4.552 4.552 . 0 0 "[ ]" 1
1162 1 48 LEU MD1 1 52 ARG HD3 3.915 . 6.030 4.004 4.004 4.004 . 0 0 "[ ]" 1
1163 1 48 LEU MD1 1 79 LEU MD1 6.000 . 10.200 5.035 5.035 5.035 . 0 0 "[ ]" 1
1164 1 48 LEU MD1 1 79 LEU MD2 6.000 . 10.200 5.529 5.529 5.529 . 0 0 "[ ]" 1
1165 1 48 LEU MD1 1 83 PHE QE 4.975 . 8.150 5.776 5.776 5.776 . 0 0 "[ ]" 1
1166 1 48 LEU MD2 1 52 ARG HD2 3.915 . 6.030 4.535 4.535 4.535 . 0 0 "[ ]" 1
1167 1 48 LEU MD2 1 52 ARG HD3 3.915 . 6.030 4.856 4.856 4.856 . 0 0 "[ ]" 1
1168 1 48 LEU MD2 1 79 LEU MD1 6.000 . 10.200 2.971 2.971 2.971 . 0 0 "[ ]" 1
1169 1 48 LEU MD2 1 79 LEU MD2 6.000 . 10.200 3.700 3.700 3.700 . 0 0 "[ ]" 1
1170 1 48 LEU MD2 1 83 PHE QE 4.975 . 8.150 4.715 4.715 4.715 . 0 0 "[ ]" 1
1171 1 48 LEU HG 1 49 ASP H 3.295 . 4.790 3.741 3.741 3.741 . 0 0 "[ ]" 1
1172 1 48 LEU O 1 52 ARG H 2.000 . 2.300 1.950 1.950 1.950 . 0 0 "[ ]" 1
1173 1 48 LEU O 1 52 ARG N 3.000 2.700 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
1174 1 49 ASP H 1 50 LEU H 2.595 . 3.390 2.701 2.701 2.701 . 0 0 "[ ]" 1
1175 1 49 ASP HA 1 52 ARG H 3.155 . 4.510 4.053 4.053 4.053 . 0 0 "[ ]" 1
1176 1 49 ASP HA 1 52 ARG HD2 3.400 . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
1177 1 49 ASP HA 1 52 ARG HD3 3.400 . 5.000 2.706 2.706 2.706 . 0 0 "[ ]" 1
1178 1 49 ASP HA 1 52 ARG QG 3.840 . 5.880 4.525 4.525 4.525 . 0 0 "[ ]" 1
1179 1 49 ASP HB2 1 50 LEU H 3.295 . 4.790 3.489 3.489 3.489 . 0 0 "[ ]" 1
1180 1 49 ASP HB2 1 50 LEU HG 3.400 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
1181 1 49 ASP HB3 1 50 LEU H 3.140 . 4.480 2.704 2.704 2.704 . 0 0 "[ ]" 1
1182 1 49 ASP HB3 1 50 LEU HG 3.400 . 5.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
1183 1 50 LEU H 1 50 LEU QB 2.805 . 3.810 2.543 2.543 2.543 . 0 0 "[ ]" 1
1184 1 50 LEU H 1 50 LEU MD1 3.525 . 5.250 3.202 3.202 3.202 . 0 0 "[ ]" 1
1185 1 50 LEU H 1 50 LEU QD 3.345 . 4.890 3.024 3.024 3.024 . 0 0 "[ ]" 1
1186 1 50 LEU H 1 50 LEU MD2 3.525 . 5.250 3.717 3.717 3.717 . 0 0 "[ ]" 1
1187 1 50 LEU H 1 51 LEU H 2.570 . 3.340 2.197 2.197 2.197 . 0 0 "[ ]" 1
1188 1 50 LEU HA 1 52 ARG H 3.255 . 4.710 4.103 4.103 4.103 . 0 0 "[ ]" 1
1189 1 50 LEU HA 1 53 MET H 3.320 . 4.840 3.390 3.390 3.390 . 0 0 "[ ]" 1
1190 1 50 LEU HA 1 53 MET HB2 3.400 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1
1191 1 50 LEU HA 1 53 MET HB3 3.400 . 5.000 4.193 4.193 4.193 . 0 0 "[ ]" 1
1192 1 50 LEU HA 1 53 MET HG2 3.400 . 5.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
1193 1 50 LEU HA 1 53 MET HG3 3.400 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
1194 1 50 LEU QB 1 51 LEU H 2.780 . 3.760 2.800 2.800 2.800 . 0 0 "[ ]" 1
1195 1 50 LEU QB 1 51 LEU MD1 4.355 . 6.910 4.324 4.324 4.324 . 0 0 "[ ]" 1
1196 1 50 LEU HB2 1 51 LEU H 3.010 . 4.220 2.860 2.860 2.860 . 0 0 "[ ]" 1
1197 1 50 LEU HB3 1 51 LEU H 3.010 . 4.220 3.988 3.988 3.988 . 0 0 "[ ]" 1
1198 1 50 LEU QD 1 53 MET HB3 4.700 . 7.600 5.154 5.154 5.154 . 0 0 "[ ]" 1
1199 1 50 LEU QD 1 53 MET QG 4.030 . 6.260 3.379 3.379 3.379 . 0 0 "[ ]" 1
1200 1 50 LEU MD1 1 53 MET HG2 4.790 . 7.780 5.417 5.417 5.417 . 0 0 "[ ]" 1
1201 1 50 LEU MD1 1 53 MET HG3 4.790 . 7.780 5.948 5.948 5.948 . 0 0 "[ ]" 1
1202 1 50 LEU MD2 1 53 MET HG2 4.790 . 7.780 3.642 3.642 3.642 . 0 0 "[ ]" 1
1203 1 50 LEU MD2 1 53 MET HG3 4.790 . 7.780 4.207 4.207 4.207 . 0 0 "[ ]" 1
1204 1 51 LEU H 1 51 LEU HB2 2.425 . 3.050 2.229 2.229 2.229 . 0 0 "[ ]" 1
1205 1 51 LEU H 1 51 LEU HB3 2.555 . 3.310 2.878 2.878 2.878 . 0 0 "[ ]" 1
1206 1 51 LEU H 1 51 LEU MD1 3.630 . 5.460 3.626 3.626 3.626 . 0 0 "[ ]" 1
1207 1 51 LEU H 1 51 LEU MD2 3.600 . 5.400 4.285 4.285 4.285 . 0 0 "[ ]" 1
1208 1 51 LEU H 1 52 ARG H 2.700 . 3.600 2.648 2.648 2.648 . 0 0 "[ ]" 1
1209 1 51 LEU HA 1 51 LEU MD1 3.305 . 4.810 2.122 2.122 2.122 . 0 0 "[ ]" 1
1210 1 51 LEU HA 1 51 LEU MD2 3.420 . 5.040 3.764 3.764 3.764 . 0 0 "[ ]" 1
1211 1 51 LEU HA 1 52 ARG HA 3.385 . 4.970 4.853 4.853 4.853 . 0 0 "[ ]" 1
1212 1 51 LEU HA 1 54 LYS H 3.060 . 4.320 3.036 3.036 3.036 . 0 0 "[ ]" 1
1213 1 51 LEU HA 1 54 LYS HA 3.400 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
1214 1 51 LEU HA 1 54 LYS HB2 3.180 . 4.560 2.312 2.312 2.312 . 0 0 "[ ]" 1
1215 1 51 LEU HA 1 54 LYS QB 2.940 . 4.080 2.282 2.282 2.282 . 0 0 "[ ]" 1
1216 1 51 LEU HA 1 54 LYS HB3 3.180 . 4.560 3.516 3.516 3.516 . 0 0 "[ ]" 1
1217 1 51 LEU HA 1 54 LYS QG 3.840 . 5.880 3.996 3.996 3.996 . 0 0 "[ ]" 1
1218 1 51 LEU HA 1 55 VAL MG1 3.915 . 6.030 3.073 3.073 3.073 . 0 0 "[ ]" 1
1219 1 51 LEU HA 1 55 VAL MG2 3.915 . 6.030 4.372 4.372 4.372 . 0 0 "[ ]" 1
1220 1 51 LEU HB3 1 55 VAL QG 4.695 . 7.590 3.558 3.558 3.558 . 0 0 "[ ]" 1
1221 1 51 LEU HB3 1 61 ILE MD 3.915 . 6.030 4.474 4.474 4.474 . 0 0 "[ ]" 1
1222 1 51 LEU MD1 1 55 VAL HA 3.915 . 6.030 4.467 4.467 4.467 . 0 0 "[ ]" 1
1223 1 51 LEU MD1 1 55 VAL MG1 4.365 . 6.930 2.852 2.852 2.852 . 0 0 "[ ]" 1
1224 1 51 LEU MD1 1 55 VAL QG 4.215 . 6.630 2.829 2.829 2.829 . 0 0 "[ ]" 1
1225 1 51 LEU MD1 1 55 VAL MG2 4.365 . 6.930 4.677 4.677 4.677 . 0 0 "[ ]" 1
1226 1 51 LEU MD1 1 61 ILE HA 3.915 . 6.030 4.648 4.648 4.648 . 0 0 "[ ]" 1
1227 1 51 LEU MD1 1 61 ILE MD 4.430 . 7.060 4.338 4.338 4.338 . 0 0 "[ ]" 1
1228 1 51 LEU MD1 1 83 PHE QD 4.975 . 8.150 6.049 6.049 6.049 . 0 0 "[ ]" 1
1229 1 51 LEU MD1 1 83 PHE QE 4.975 . 8.150 4.640 4.640 4.640 . 0 0 "[ ]" 1
1230 1 51 LEU MD1 1 83 PHE HZ 3.915 . 6.030 4.256 4.256 4.256 . 0 0 "[ ]" 1
1231 1 51 LEU MD2 1 52 ARG H 3.915 . 6.030 4.512 4.512 4.512 . 0 0 "[ ]" 1
1232 1 51 LEU MD2 1 55 VAL MG1 4.430 . 7.060 2.855 2.855 2.855 . 0 0 "[ ]" 1
1233 1 51 LEU MD2 1 55 VAL QG 4.175 . 6.550 2.824 2.824 2.824 . 0 0 "[ ]" 1
1234 1 51 LEU MD2 1 55 VAL MG2 4.430 . 7.060 4.486 4.486 4.486 . 0 0 "[ ]" 1
1235 1 51 LEU MD2 1 61 ILE HA 3.915 . 6.030 3.790 3.790 3.790 . 0 0 "[ ]" 1
1236 1 51 LEU MD2 1 61 ILE HB 3.915 . 6.030 4.020 4.020 4.020 . 0 0 "[ ]" 1
1237 1 51 LEU MD2 1 61 ILE MD 4.430 . 7.060 2.568 2.568 2.568 . 0 0 "[ ]" 1
1238 1 51 LEU MD2 1 83 PHE QD 4.975 . 8.150 4.110 4.110 4.110 . 0 0 "[ ]" 1
1239 1 51 LEU MD2 1 83 PHE QE 4.975 . 8.150 2.638 2.638 2.638 . 0 0 "[ ]" 1
1240 1 51 LEU MD2 1 83 PHE HZ 3.915 . 6.030 2.470 2.470 2.470 . 0 0 "[ ]" 1
1241 1 51 LEU HG 1 52 ARG HA 3.400 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
1242 1 51 LEU HG 1 55 VAL MG1 3.915 . 6.030 1.891 1.891 1.891 . 0 0 "[ ]" 1
1243 1 51 LEU HG 1 55 VAL QG 3.715 . 5.630 1.887 1.887 1.887 . 0 0 "[ ]" 1
1244 1 51 LEU HG 1 55 VAL MG2 3.915 . 6.030 3.813 3.813 3.813 . 0 0 "[ ]" 1
1245 1 51 LEU HG 1 61 ILE MD 3.890 . 5.980 3.564 3.564 3.564 . 0 0 "[ ]" 1
1246 1 51 LEU HG 1 83 PHE HZ 3.400 . 5.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
1247 1 51 LEU O 1 55 VAL H 2.000 . 2.300 2.087 2.087 2.087 . 0 0 "[ ]" 1
1248 1 51 LEU O 1 55 VAL N 3.000 2.700 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1
1249 1 52 ARG H 1 52 ARG HD2 3.400 . 5.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
1250 1 52 ARG H 1 52 ARG QD 3.270 . 4.740 3.293 3.293 3.293 . 0 0 "[ ]" 1
1251 1 52 ARG H 1 52 ARG HD3 3.400 . 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
1252 1 52 ARG H 1 52 ARG QG 3.500 . 5.200 2.703 2.703 2.703 . 0 0 "[ ]" 1
1253 1 52 ARG H 1 53 MET H 2.815 . 3.830 2.657 2.657 2.657 . 0 0 "[ ]" 1
1254 1 52 ARG H 1 83 PHE QE 4.460 . 7.120 3.991 3.991 3.991 . 0 0 "[ ]" 1
1255 1 52 ARG HA 1 52 ARG HD2 3.400 . 5.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
1256 1 52 ARG HA 1 52 ARG HD3 3.400 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
1257 1 52 ARG HA 1 55 VAL H 3.310 . 4.820 4.302 4.302 4.302 . 0 0 "[ ]" 1
1258 1 52 ARG HA 1 55 VAL MG1 3.915 . 6.030 3.755 3.755 3.755 . 0 0 "[ ]" 1
1259 1 52 ARG HA 1 55 VAL QG 3.590 . 5.380 2.824 2.824 2.824 . 0 0 "[ ]" 1
1260 1 52 ARG HA 1 55 VAL MG2 3.915 . 6.030 2.920 2.920 2.920 . 0 0 "[ ]" 1
1261 1 52 ARG HA 1 82 GLU HB3 3.400 . 5.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
1262 1 52 ARG HA 1 83 PHE QD 4.460 . 7.120 3.823 3.823 3.823 . 0 0 "[ ]" 1
1263 1 52 ARG HA 1 83 PHE QE 4.460 . 7.120 1.992 1.992 1.992 . 0 0 "[ ]" 1
1264 1 52 ARG HA 1 83 PHE HZ 3.090 . 4.380 2.760 2.760 2.760 . 0 0 "[ ]" 1
1265 1 52 ARG QB 1 52 ARG QD 2.685 . 3.570 2.238 2.238 2.238 . 0 0 "[ ]" 1
1266 1 52 ARG QB 1 53 MET H 2.985 . 4.170 2.963 2.963 2.963 . 0 0 "[ ]" 1
1267 1 52 ARG QB 1 83 PHE HZ 3.840 . 5.880 4.202 4.202 4.202 . 0 0 "[ ]" 1
1268 1 52 ARG HB2 1 53 MET H 3.100 . 4.400 3.108 3.108 3.108 . 0 0 "[ ]" 1
1269 1 52 ARG HB2 1 83 PHE QE 4.460 . 7.120 4.754 4.754 4.754 . 0 0 "[ ]" 1
1270 1 52 ARG HB3 1 53 MET H 3.100 . 4.400 3.732 3.732 3.732 . 0 0 "[ ]" 1
1271 1 52 ARG HB3 1 83 PHE QE 4.460 . 7.120 4.485 4.485 4.485 . 0 0 "[ ]" 1
1272 1 52 ARG QD 1 79 LEU QD 4.675 . 7.550 4.327 4.327 4.327 . 0 0 "[ ]" 1
1273 1 52 ARG HD2 1 79 LEU MD1 5.485 . 9.170 5.126 5.126 5.126 . 0 0 "[ ]" 1
1274 1 52 ARG HD2 1 79 LEU MD2 5.485 . 9.170 5.057 5.057 5.057 . 0 0 "[ ]" 1
1275 1 52 ARG HD2 1 83 PHE QE 4.460 . 7.120 4.807 4.807 4.807 . 0 0 "[ ]" 1
1276 1 52 ARG HD2 1 83 PHE HZ 3.400 . 5.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
1277 1 52 ARG HD3 1 79 LEU MD1 5.485 . 9.170 6.277 6.277 6.277 . 0 0 "[ ]" 1
1278 1 52 ARG HD3 1 79 LEU MD2 5.485 . 9.170 6.016 6.016 6.016 . 0 0 "[ ]" 1
1279 1 52 ARG HD3 1 83 PHE QE 4.460 . 7.120 5.191 5.191 5.191 . 0 0 "[ ]" 1
1280 1 52 ARG HD3 1 83 PHE HZ 3.400 . 5.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
1281 1 52 ARG QG 1 53 MET H 3.840 . 5.880 4.441 4.441 4.441 . 0 0 "[ ]" 1
1282 1 52 ARG QG 1 55 VAL QG 5.130 . 8.460 4.019 4.019 4.019 . 0 0 "[ ]" 1
1283 1 52 ARG QG 1 79 LEU HA 3.840 . 5.880 3.541 3.541 3.541 . 0 0 "[ ]" 1
1284 1 52 ARG QG 1 79 LEU HB2 3.840 . 5.880 3.190 3.190 3.190 . 0 0 "[ ]" 1
1285 1 52 ARG QG 1 79 LEU HB3 3.840 . 5.880 3.993 3.993 3.993 . 0 0 "[ ]" 1
1286 1 52 ARG QG 1 79 LEU HG 3.840 . 5.880 5.194 5.194 5.194 . 0 0 "[ ]" 1
1287 1 52 ARG QG 1 83 PHE QE 4.900 . 8.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
1288 1 52 ARG QG 1 83 PHE HZ 3.840 . 5.880 2.661 2.661 2.661 . 0 0 "[ ]" 1
1289 1 53 MET H 1 54 LYS H 2.775 . 3.750 2.276 2.276 2.276 . 0 0 "[ ]" 1
1290 1 53 MET HB3 1 54 LYS H 3.400 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
1291 1 53 MET ME 1 54 LYS H 3.915 . 6.030 4.877 4.877 4.877 . 0 0 "[ ]" 1
1292 1 54 LYS H 1 54 LYS QB 2.685 . 3.570 2.314 2.314 2.314 . 0 0 "[ ]" 1
1293 1 54 LYS H 1 54 LYS QD 3.840 . 5.880 4.751 4.751 4.751 . 0 0 "[ ]" 1
1294 1 54 LYS H 1 55 VAL H 2.830 . 3.860 2.022 2.022 2.022 . 0 0 "[ ]" 1
1295 1 54 LYS HA 1 54 LYS HD2 3.400 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
1296 1 54 LYS HA 1 54 LYS HD3 3.400 . 5.000 2.920 2.920 2.920 . 0 0 "[ ]" 1
1297 1 54 LYS HA 1 54 LYS QE 3.825 . 5.850 3.298 3.298 3.298 . 0 0 "[ ]" 1
1298 1 54 LYS QB 1 55 VAL QG 4.030 . 6.260 3.387 3.387 3.387 . 0 0 "[ ]" 1
1299 1 54 LYS HB2 1 55 VAL MG1 4.790 . 7.780 3.909 3.909 3.909 . 0 0 "[ ]" 1
1300 1 54 LYS HB2 1 55 VAL MG2 4.790 . 7.780 4.692 4.692 4.692 . 0 0 "[ ]" 1
1301 1 54 LYS HB3 1 55 VAL MG1 4.790 . 7.780 4.047 4.047 4.047 . 0 0 "[ ]" 1
1302 1 54 LYS HB3 1 55 VAL MG2 4.790 . 7.780 5.037 5.037 5.037 . 0 0 "[ ]" 1
1303 1 55 VAL H 1 55 VAL MG1 3.045 . 4.290 2.135 2.135 2.135 . 0 0 "[ ]" 1
1304 1 55 VAL H 1 55 VAL QG 2.835 . 3.870 1.812 1.812 1.812 . 0 0 "[ ]" 1
1305 1 55 VAL H 1 55 VAL MG2 3.045 . 4.290 1.959 1.959 1.959 . 0 0 "[ ]" 1
1306 1 55 VAL HA 1 56 GLU H 2.475 . 3.150 2.271 2.271 2.271 . 0 0 "[ ]" 1
1307 1 55 VAL HA 1 59 ASP HB2 3.400 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
1308 1 55 VAL HA 1 59 ASP QB 3.235 . 4.670 3.329 3.329 3.329 . 0 0 "[ ]" 1
1309 1 55 VAL HA 1 59 ASP HB3 3.400 . 5.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
1310 1 55 VAL HA 1 61 ILE MD 3.915 . 6.030 4.834 4.834 4.834 . 0 0 "[ ]" 1
1311 1 55 VAL HA 1 88 VAL MG1 3.915 . 6.030 4.272 4.272 4.272 . 0 0 "[ ]" 1
1312 1 55 VAL HA 1 88 VAL MG2 3.915 . 6.030 4.372 4.372 4.372 . 0 0 "[ ]" 1
1313 1 55 VAL HB 1 59 ASP HB2 3.400 . 5.000 3.118 3.118 3.118 . 0 0 "[ ]" 1
1314 1 55 VAL HB 1 59 ASP HB3 3.400 . 5.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
1315 1 55 VAL HB 1 61 ILE MD 3.915 . 6.030 3.266 3.266 3.266 . 0 0 "[ ]" 1
1316 1 55 VAL HB 1 83 PHE QD 4.460 . 7.120 4.003 4.003 4.003 . 0 0 "[ ]" 1
1317 1 55 VAL HB 1 83 PHE QE 4.460 . 7.120 3.917 3.917 3.917 . 0 0 "[ ]" 1
1318 1 55 VAL QG 1 56 GLU H 3.255 . 4.710 3.396 3.396 3.396 . 0 0 "[ ]" 1
1319 1 55 VAL QG 1 56 GLU HA 4.695 . 7.590 3.970 3.970 3.970 . 0 0 "[ ]" 1
1320 1 55 VAL QG 1 56 GLU QB 4.670 . 7.540 4.577 4.577 4.577 . 0 0 "[ ]" 1
1321 1 55 VAL QG 1 59 ASP QB 4.600 . 7.400 3.135 3.135 3.135 . 0 0 "[ ]" 1
1322 1 55 VAL QG 1 61 ILE MD 4.260 . 6.720 1.904 1.904 1.904 . 0 0 "[ ]" 1
1323 1 55 VAL QG 1 83 PHE H 4.605 . 7.410 5.404 5.404 5.404 . 0 0 "[ ]" 1
1324 1 55 VAL QG 1 83 PHE HA 4.695 . 7.590 3.668 3.668 3.668 . 0 0 "[ ]" 1
1325 1 55 VAL QG 1 83 PHE QB 5.135 . 8.470 3.848 3.848 3.848 . 0 0 "[ ]" 1
1326 1 55 VAL QG 1 88 VAL HA 4.695 . 7.590 4.911 4.911 4.911 . 0 0 "[ ]" 1
1327 1 55 VAL QG 1 88 VAL QG 4.085 . 6.370 2.089 2.089 2.089 . 0 0 "[ ]" 1
1328 1 55 VAL MG1 1 56 GLU H 3.435 . 5.070 3.815 3.815 3.815 . 0 0 "[ ]" 1
1329 1 55 VAL MG1 1 56 GLU HB2 5.475 . 9.150 5.737 5.737 5.737 . 0 0 "[ ]" 1
1330 1 55 VAL MG1 1 56 GLU HB3 5.475 . 9.150 6.268 6.268 6.268 . 0 0 "[ ]" 1
1331 1 55 VAL MG1 1 61 ILE MD 4.430 . 7.060 1.921 1.921 1.921 . 0 0 "[ ]" 1
1332 1 55 VAL MG1 1 83 PHE QD 4.975 . 8.150 3.224 3.224 3.224 . 0 0 "[ ]" 1
1333 1 55 VAL MG1 1 83 PHE QE 4.975 . 8.150 2.245 2.245 2.245 . 0 0 "[ ]" 1
1334 1 55 VAL MG1 1 83 PHE HZ 3.915 . 6.030 3.040 3.040 3.040 . 0 0 "[ ]" 1
1335 1 55 VAL MG1 1 88 VAL MG1 4.430 . 7.060 2.666 2.666 2.666 . 0 0 "[ ]" 1
1336 1 55 VAL MG1 1 88 VAL MG2 4.430 . 7.060 3.558 3.558 3.558 . 0 0 "[ ]" 1
1337 1 55 VAL MG2 1 56 GLU H 3.435 . 5.070 3.810 3.810 3.810 . 0 0 "[ ]" 1
1338 1 55 VAL MG2 1 56 GLU HB2 5.475 . 9.150 5.457 5.457 5.457 . 0 0 "[ ]" 1
1339 1 55 VAL MG2 1 56 GLU HB3 5.475 . 9.150 5.795 5.795 5.795 . 0 0 "[ ]" 1
1340 1 55 VAL MG2 1 61 ILE MD 4.430 . 7.060 3.116 3.116 3.116 . 0 0 "[ ]" 1
1341 1 55 VAL MG2 1 83 PHE QD 4.975 . 8.150 2.114 2.114 2.114 . 0 0 "[ ]" 1
1342 1 55 VAL MG2 1 83 PHE QE 4.975 . 8.150 1.854 1.854 1.854 . 0 0 "[ ]" 1
1343 1 55 VAL MG2 1 83 PHE HZ 3.915 . 6.030 3.780 3.780 3.780 . 0 0 "[ ]" 1
1344 1 55 VAL MG2 1 88 VAL MG1 4.430 . 7.060 2.982 2.982 2.982 . 0 0 "[ ]" 1
1345 1 55 VAL MG2 1 88 VAL MG2 4.430 . 7.060 2.268 2.268 2.268 . 0 0 "[ ]" 1
1346 1 56 GLU H 1 56 GLU HB2 2.635 . 3.470 2.472 2.472 2.472 . 0 0 "[ ]" 1
1347 1 56 GLU H 1 56 GLU QB 2.520 . 3.240 2.354 2.354 2.354 . 0 0 "[ ]" 1
1348 1 56 GLU H 1 56 GLU HB3 2.635 . 3.470 2.954 2.954 2.954 . 0 0 "[ ]" 1
1349 1 56 GLU H 1 56 GLU HG2 3.400 . 5.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
1350 1 56 GLU H 1 56 GLU QG 3.320 . 4.840 4.021 4.021 4.021 . 0 0 "[ ]" 1
1351 1 56 GLU H 1 56 GLU HG3 3.400 . 5.000 4.339 4.339 4.339 . 0 0 "[ ]" 1
1352 1 56 GLU H 1 57 GLU H 3.400 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
1353 1 56 GLU H 1 59 ASP H 2.970 . 4.140 4.138 4.138 4.138 . 0 0 "[ ]" 1
1354 1 56 GLU H 1 59 ASP HB2 2.855 . 3.910 2.124 2.124 2.124 . 0 0 "[ ]" 1
1355 1 56 GLU H 1 59 ASP QB 2.765 . 3.730 2.087 2.087 2.087 . 0 0 "[ ]" 1
1356 1 56 GLU H 1 59 ASP HB3 2.855 . 3.910 3.056 3.056 3.056 . 0 0 "[ ]" 1
1357 1 56 GLU H 1 59 ASP OD1 2.000 . 2.300 3.848 3.848 3.848 1.548 1 1 [+] 1
1358 1 56 GLU H 1 88 VAL QG 4.695 . 7.590 3.400 3.400 3.400 . 0 0 "[ ]" 1
1359 1 56 GLU HA 1 56 GLU HG2 2.700 . 3.600 3.070 3.070 3.070 . 0 0 "[ ]" 1
1360 1 56 GLU HA 1 56 GLU QG 2.580 . 3.360 2.005 2.005 2.005 . 0 0 "[ ]" 1
1361 1 56 GLU HA 1 56 GLU HG3 2.700 . 3.600 2.032 2.032 2.032 . 0 0 "[ ]" 1
1362 1 56 GLU HA 1 57 GLU HA 3.190 . 4.580 4.367 4.367 4.367 . 0 0 "[ ]" 1
1363 1 56 GLU HA 1 88 VAL QG 4.395 . 6.990 4.182 4.182 4.182 . 0 0 "[ ]" 1
1364 1 56 GLU QB 1 56 GLU QG 2.140 . 2.480 2.081 2.081 2.081 . 0 0 "[ ]" 1
1365 1 56 GLU QB 1 59 ASP QB 3.800 . 5.800 3.068 3.068 3.068 . 0 0 "[ ]" 1
1366 1 56 GLU QB 1 88 VAL QG 5.135 . 8.470 4.228 4.228 4.228 . 0 0 "[ ]" 1
1367 1 56 GLU HB2 1 59 ASP HB2 4.275 . 6.750 3.848 3.848 3.848 . 0 0 "[ ]" 1
1368 1 56 GLU HB2 1 59 ASP HB3 4.275 . 6.750 5.041 5.041 5.041 . 0 0 "[ ]" 1
1369 1 56 GLU HB3 1 59 ASP HB2 4.275 . 6.750 3.316 3.316 3.316 . 0 0 "[ ]" 1
1370 1 56 GLU HB3 1 59 ASP HB3 4.275 . 6.750 4.844 4.844 4.844 . 0 0 "[ ]" 1
1371 1 56 GLU N 1 59 ASP OD1 3.000 2.700 3.300 4.812 4.812 4.812 1.512 1 1 [+] 1
1372 1 56 GLU O 1 59 ASP H 2.000 . 2.300 2.326 2.326 2.326 0.026 1 0 "[ ]" 1
1373 1 56 GLU O 1 59 ASP N 3.000 2.700 3.300 3.076 3.076 3.076 . 0 0 "[ ]" 1
1374 1 57 GLU H 1 57 GLU QB 2.740 . 3.680 2.155 2.155 2.155 . 0 0 "[ ]" 1
1375 1 57 GLU H 1 58 GLY H 3.360 . 4.920 4.433 4.433 4.433 . 0 0 "[ ]" 1
1376 1 57 GLU H 1 88 VAL QG 4.345 . 6.890 4.344 4.344 4.344 . 0 0 "[ ]" 1
1377 1 57 GLU HA 1 57 GLU HG2 3.010 . 4.220 2.857 2.857 2.857 . 0 0 "[ ]" 1
1378 1 57 GLU HA 1 57 GLU HG3 3.010 . 4.220 2.158 2.158 2.158 . 0 0 "[ ]" 1
1379 1 57 GLU HA 1 58 GLY H 2.530 . 3.260 2.184 2.184 2.184 . 0 0 "[ ]" 1
1380 1 57 GLU HA 1 59 ASP H 2.750 . 3.700 3.733 3.733 3.733 0.033 1 0 "[ ]" 1
1381 1 57 GLU HA 1 88 VAL QG 4.695 . 7.590 2.788 2.788 2.788 . 0 0 "[ ]" 1
1382 1 57 GLU QG 1 58 GLY QA 4.275 . 6.750 3.958 3.958 3.958 . 0 0 "[ ]" 1
1383 1 57 GLU QG 1 87 GLY QA 4.280 . 6.760 2.925 2.925 2.925 . 0 0 "[ ]" 1
1384 1 57 GLU HG2 1 58 GLY H 3.400 . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
1385 1 57 GLU HG3 1 58 GLY H 3.400 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
1386 1 58 GLY H 1 59 ASP H 2.765 . 3.730 2.223 2.223 2.223 . 0 0 "[ ]" 1
1387 1 58 GLY H 1 88 VAL MG1 3.915 . 6.030 3.878 3.878 3.878 . 0 0 "[ ]" 1
1388 1 58 GLY H 1 88 VAL QG 3.620 . 5.440 2.552 2.552 2.552 . 0 0 "[ ]" 1
1389 1 58 GLY H 1 88 VAL MG2 3.915 . 6.030 2.589 2.589 2.589 . 0 0 "[ ]" 1
1390 1 59 ASP H 1 59 ASP HB2 2.750 . 3.700 2.213 2.213 2.213 . 0 0 "[ ]" 1
1391 1 59 ASP H 1 59 ASP HB3 2.750 . 3.700 3.215 3.215 3.215 . 0 0 "[ ]" 1
1392 1 59 ASP H 1 88 VAL HA 2.985 . 4.170 2.661 2.661 2.661 . 0 0 "[ ]" 1
1393 1 59 ASP H 1 88 VAL HB 3.400 . 5.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
1394 1 59 ASP H 1 88 VAL MG1 3.655 . 5.510 2.553 2.553 2.553 . 0 0 "[ ]" 1
1395 1 59 ASP H 1 88 VAL QG 3.240 . 4.680 2.279 2.279 2.279 . 0 0 "[ ]" 1
1396 1 59 ASP H 1 88 VAL MG2 3.655 . 5.510 2.564 2.564 2.564 . 0 0 "[ ]" 1
1397 1 59 ASP HA 1 60 VAL H 2.530 . 3.260 2.375 2.375 2.375 . 0 0 "[ ]" 1
1398 1 59 ASP HA 1 60 VAL MG1 3.915 . 6.030 3.995 3.995 3.995 . 0 0 "[ ]" 1
1399 1 59 ASP HA 1 60 VAL MG2 3.915 . 6.030 3.513 3.513 3.513 . 0 0 "[ ]" 1
1400 1 59 ASP HA 1 88 VAL MG1 3.915 . 6.030 3.899 3.899 3.899 . 0 0 "[ ]" 1
1401 1 59 ASP HA 1 88 VAL MG2 3.915 . 6.030 4.822 4.822 4.822 . 0 0 "[ ]" 1
1402 1 59 ASP QB 1 60 VAL H 3.035 . 4.270 2.988 2.988 2.988 . 0 0 "[ ]" 1
1403 1 59 ASP QB 1 60 VAL QG 4.265 . 6.730 4.025 4.025 4.025 . 0 0 "[ ]" 1
1404 1 59 ASP QB 1 88 VAL QG 3.620 . 5.440 2.157 2.157 2.157 . 0 0 "[ ]" 1
1405 1 59 ASP HB2 1 60 VAL H 3.335 . 4.870 4.183 4.183 4.183 . 0 0 "[ ]" 1
1406 1 59 ASP HB2 1 60 VAL MG1 4.790 . 7.780 5.879 5.879 5.879 . 0 0 "[ ]" 1
1407 1 59 ASP HB2 1 60 VAL MG2 4.790 . 7.780 5.465 5.465 5.465 . 0 0 "[ ]" 1
1408 1 59 ASP HB2 1 88 VAL MG1 3.915 . 6.030 2.742 2.742 2.742 . 0 0 "[ ]" 1
1409 1 59 ASP HB2 1 88 VAL MG2 3.915 . 6.030 2.845 2.845 2.845 . 0 0 "[ ]" 1
1410 1 59 ASP HB3 1 60 VAL H 3.335 . 4.870 3.060 3.060 3.060 . 0 0 "[ ]" 1
1411 1 59 ASP HB3 1 60 VAL MG1 4.790 . 7.780 5.165 5.165 5.165 . 0 0 "[ ]" 1
1412 1 59 ASP HB3 1 60 VAL MG2 4.790 . 7.780 4.498 4.498 4.498 . 0 0 "[ ]" 1
1413 1 59 ASP HB3 1 88 VAL MG1 3.915 . 6.030 2.403 2.403 2.403 . 0 0 "[ ]" 1
1414 1 59 ASP HB3 1 88 VAL MG2 3.915 . 6.030 3.536 3.536 3.536 . 0 0 "[ ]" 1
1415 1 59 ASP O 1 89 SER H 2.000 . 2.300 1.813 1.813 1.813 . 0 0 "[ ]" 1
1416 1 59 ASP O 1 89 SER N 3.000 2.700 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1
1417 1 60 VAL HA 1 61 ILE H 2.295 . 2.790 2.168 2.168 2.168 . 0 0 "[ ]" 1
1418 1 60 VAL HA 1 61 ILE HB 3.400 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
1419 1 60 VAL HA 1 61 ILE MD 3.915 . 6.030 4.549 4.549 4.549 . 0 0 "[ ]" 1
1420 1 60 VAL HA 1 88 VAL QG 4.500 . 7.200 3.319 3.319 3.319 . 0 0 "[ ]" 1
1421 1 60 VAL HA 1 89 SER H 2.605 . 3.410 2.984 2.984 2.984 . 0 0 "[ ]" 1
1422 1 60 VAL HA 1 89 SER HA 3.205 . 4.610 4.622 4.622 4.622 0.012 1 0 "[ ]" 1
1423 1 60 VAL HA 1 89 SER QB 3.420 . 5.040 2.693 2.693 2.693 . 0 0 "[ ]" 1
1424 1 60 VAL HA 1 90 ILE HA 3.010 . 4.220 3.930 3.930 3.930 . 0 0 "[ ]" 1
1425 1 60 VAL HA 1 91 ARG H 3.400 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
1426 1 60 VAL HB 1 61 ILE H 3.400 . 5.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
1427 1 60 VAL QG 1 61 ILE H 3.250 . 4.700 3.500 3.500 3.500 . 0 0 "[ ]" 1
1428 1 60 VAL QG 1 61 ILE HA 4.695 . 7.590 4.269 4.269 4.269 . 0 0 "[ ]" 1
1429 1 60 VAL QG 1 62 LEU HA 4.695 . 7.590 5.149 5.149 5.149 . 0 0 "[ ]" 1
1430 1 60 VAL QG 1 62 LEU HB2 4.695 . 7.590 4.737 4.737 4.737 . 0 0 "[ ]" 1
1431 1 60 VAL QG 1 62 LEU QD 5.040 . 8.280 3.834 3.834 3.834 . 0 0 "[ ]" 1
1432 1 60 VAL QG 1 89 SER H 4.280 . 6.760 3.653 3.653 3.653 . 0 0 "[ ]" 1
1433 1 60 VAL QG 1 90 ILE HA 4.695 . 7.590 4.520 4.520 4.520 . 0 0 "[ ]" 1
1434 1 60 VAL QG 1 91 ARG H 4.590 . 7.380 3.997 3.997 3.997 . 0 0 "[ ]" 1
1435 1 60 VAL QG 1 91 ARG QB 3.980 . 6.160 4.055 4.055 4.055 . 0 0 "[ ]" 1
1436 1 60 VAL QG 1 91 ARG QD 5.135 . 8.470 3.229 3.229 3.229 . 0 0 "[ ]" 1
1437 1 60 VAL MG1 1 61 ILE H 3.550 . 5.300 3.734 3.734 3.734 . 0 0 "[ ]" 1
1438 1 60 VAL MG1 1 62 LEU MD1 6.000 . 10.200 5.302 5.302 5.302 . 0 0 "[ ]" 1
1439 1 60 VAL MG1 1 62 LEU MD2 6.000 . 10.200 5.524 5.524 5.524 . 0 0 "[ ]" 1
1440 1 60 VAL MG1 1 89 SER QB 3.885 . 5.970 2.324 2.324 2.324 . 0 0 "[ ]" 1
1441 1 60 VAL MG1 1 91 ARG HB2 4.790 . 7.780 4.681 4.681 4.681 . 0 0 "[ ]" 1
1442 1 60 VAL MG1 1 91 ARG HB3 4.790 . 7.780 5.303 5.303 5.303 . 0 0 "[ ]" 1
1443 1 60 VAL MG2 1 61 ILE H 3.550 . 5.300 4.228 4.228 4.228 . 0 0 "[ ]" 1
1444 1 60 VAL MG2 1 62 LEU MD1 6.000 . 10.200 4.166 4.166 4.166 . 0 0 "[ ]" 1
1445 1 60 VAL MG2 1 62 LEU MD2 6.000 . 10.200 5.341 5.341 5.341 . 0 0 "[ ]" 1
1446 1 60 VAL MG2 1 89 SER QB 3.885 . 5.970 4.456 4.456 4.456 . 0 0 "[ ]" 1
1447 1 60 VAL MG2 1 91 ARG HB2 4.790 . 7.780 5.014 5.014 5.014 . 0 0 "[ ]" 1
1448 1 60 VAL MG2 1 91 ARG HB3 4.790 . 7.780 5.982 5.982 5.982 . 0 0 "[ ]" 1
1449 1 61 ILE H 1 61 ILE HB 2.605 . 3.410 2.455 2.455 2.455 . 0 0 "[ ]" 1
1450 1 61 ILE H 1 61 ILE MD 3.900 . 6.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
1451 1 61 ILE H 1 61 ILE HG12 3.245 . 4.690 4.053 4.053 4.053 . 0 0 "[ ]" 1
1452 1 61 ILE H 1 61 ILE HG13 3.245 . 4.690 2.694 2.694 2.694 . 0 0 "[ ]" 1
1453 1 61 ILE H 1 88 VAL QG 4.225 . 6.650 3.363 3.363 3.363 . 0 0 "[ ]" 1
1454 1 61 ILE H 1 89 SER QB 3.840 . 5.880 3.706 3.706 3.706 . 0 0 "[ ]" 1
1455 1 61 ILE H 1 89 SER O 2.000 . 2.300 1.790 1.790 1.790 . 0 0 "[ ]" 1
1456 1 61 ILE H 1 90 ILE HA 2.635 . 3.470 2.104 2.104 2.104 . 0 0 "[ ]" 1
1457 1 61 ILE H 1 90 ILE MD 3.915 . 6.030 5.066 5.066 5.066 . 0 0 "[ ]" 1
1458 1 61 ILE H 1 90 ILE MG 3.915 . 6.030 3.799 3.799 3.799 . 0 0 "[ ]" 1
1459 1 61 ILE HA 1 62 LEU H 2.515 . 3.230 2.237 2.237 2.237 . 0 0 "[ ]" 1
1460 1 61 ILE HA 1 90 ILE HA 3.400 . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
1461 1 61 ILE HB 1 88 VAL QG 4.695 . 7.590 3.717 3.717 3.717 . 0 0 "[ ]" 1
1462 1 61 ILE HB 1 90 ILE HA 3.385 . 4.970 2.115 2.115 2.115 . 0 0 "[ ]" 1
1463 1 61 ILE HB 1 90 ILE MD 3.330 . 4.860 3.536 3.536 3.536 . 0 0 "[ ]" 1
1464 1 61 ILE HB 1 90 ILE HG12 3.400 . 5.000 1.970 1.970 1.970 . 0 0 "[ ]" 1
1465 1 61 ILE HB 1 90 ILE HG13 3.400 . 5.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
1466 1 61 ILE HB 1 90 ILE MG 3.705 . 5.610 2.145 2.145 2.145 . 0 0 "[ ]" 1
1467 1 61 ILE MD 1 83 PHE H 3.915 . 6.030 4.863 4.863 4.863 . 0 0 "[ ]" 1
1468 1 61 ILE MD 1 83 PHE HB2 3.915 . 6.030 3.331 3.331 3.331 . 0 0 "[ ]" 1
1469 1 61 ILE MD 1 83 PHE HB3 3.915 . 6.030 2.604 2.604 2.604 . 0 0 "[ ]" 1
1470 1 61 ILE MD 1 83 PHE QD 4.975 . 8.150 2.539 2.539 2.539 . 0 0 "[ ]" 1
1471 1 61 ILE MD 1 83 PHE QE 4.975 . 8.150 2.734 2.734 2.734 . 0 0 "[ ]" 1
1472 1 61 ILE MD 1 83 PHE HZ 3.915 . 6.030 3.368 3.368 3.368 . 0 0 "[ ]" 1
1473 1 61 ILE MD 1 88 VAL HA 3.915 . 6.030 4.793 4.793 4.793 . 0 0 "[ ]" 1
1474 1 61 ILE MD 1 88 VAL MG1 4.430 . 7.060 1.850 1.850 1.850 . 0 0 "[ ]" 1
1475 1 61 ILE MD 1 88 VAL QG 4.260 . 6.720 1.844 1.844 1.844 . 0 0 "[ ]" 1
1476 1 61 ILE MD 1 88 VAL MG2 4.430 . 7.060 3.567 3.567 3.567 . 0 0 "[ ]" 1
1477 1 61 ILE MD 1 90 ILE HA 3.915 . 6.030 3.569 3.569 3.569 . 0 0 "[ ]" 1
1478 1 61 ILE MD 1 90 ILE HB 3.915 . 6.030 4.635 4.635 4.635 . 0 0 "[ ]" 1
1479 1 61 ILE MD 1 90 ILE MD 4.350 . 6.900 2.908 2.908 2.908 . 0 0 "[ ]" 1
1480 1 61 ILE MD 1 90 ILE HG12 3.915 . 6.030 2.001 2.001 2.001 . 0 0 "[ ]" 1
1481 1 61 ILE MD 1 90 ILE HG13 3.915 . 6.030 3.014 3.014 3.014 . 0 0 "[ ]" 1
1482 1 61 ILE MD 1 90 ILE MG 4.430 . 7.060 3.298 3.298 3.298 . 0 0 "[ ]" 1
1483 1 61 ILE QG 1 88 VAL QG 3.890 . 5.980 2.403 2.403 2.403 . 0 0 "[ ]" 1
1484 1 61 ILE QG 1 90 ILE MG 3.810 . 5.820 4.050 4.050 4.050 . 0 0 "[ ]" 1
1485 1 61 ILE HG12 1 88 VAL MG1 4.790 . 7.780 3.426 3.426 3.426 . 0 0 "[ ]" 1
1486 1 61 ILE HG12 1 88 VAL MG2 4.790 . 7.780 5.429 5.429 5.429 . 0 0 "[ ]" 1
1487 1 61 ILE HG13 1 88 VAL MG1 4.790 . 7.780 2.466 2.466 2.466 . 0 0 "[ ]" 1
1488 1 61 ILE HG13 1 88 VAL MG2 4.790 . 7.780 4.704 4.704 4.704 . 0 0 "[ ]" 1
1489 1 61 ILE MG 1 62 LEU H 3.575 . 5.350 3.374 3.374 3.374 . 0 0 "[ ]" 1
1490 1 61 ILE MG 1 63 VAL HA 3.915 . 6.030 4.138 4.138 4.138 . 0 0 "[ ]" 1
1491 1 61 ILE MG 1 63 VAL HB 3.915 . 6.030 4.715 4.715 4.715 . 0 0 "[ ]" 1
1492 1 61 ILE MG 1 63 VAL MG1 4.430 . 7.060 4.266 4.266 4.266 . 0 0 "[ ]" 1
1493 1 61 ILE MG 1 63 VAL QG 4.270 . 6.740 2.237 2.237 2.237 . 0 0 "[ ]" 1
1494 1 61 ILE MG 1 63 VAL MG2 4.430 . 7.060 2.245 2.245 2.245 . 0 0 "[ ]" 1
1495 1 61 ILE MG 1 90 ILE HA 3.915 . 6.030 3.479 3.479 3.479 . 0 0 "[ ]" 1
1496 1 61 ILE MG 1 90 ILE MD 3.570 . 5.340 3.496 3.496 3.496 . 0 0 "[ ]" 1
1497 1 61 ILE MG 1 90 ILE MG 4.430 . 7.060 2.100 2.100 2.100 . 0 0 "[ ]" 1
1498 1 61 ILE N 1 89 SER O 3.000 2.700 3.300 2.683 2.683 2.683 0.017 1 0 "[ ]" 1
1499 1 61 ILE O 1 91 ARG H 2.000 . 2.300 2.234 2.234 2.234 . 0 0 "[ ]" 1
1500 1 61 ILE O 1 91 ARG N 3.000 2.700 3.300 2.772 2.772 2.772 . 0 0 "[ ]" 1
1501 1 62 LEU H 1 62 LEU HB3 2.815 . 3.830 3.387 3.387 3.387 . 0 0 "[ ]" 1
1502 1 62 LEU H 1 62 LEU MD1 3.915 . 6.030 3.924 3.924 3.924 . 0 0 "[ ]" 1
1503 1 62 LEU H 1 62 LEU MD2 3.915 . 6.030 4.144 4.144 4.144 . 0 0 "[ ]" 1
1504 1 62 LEU H 1 62 LEU HG 3.400 . 5.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
1505 1 62 LEU HA 1 62 LEU MD1 3.370 . 4.940 3.714 3.714 3.714 . 0 0 "[ ]" 1
1506 1 62 LEU HA 1 62 LEU QD 3.110 . 4.420 1.950 1.950 1.950 . 0 0 "[ ]" 1
1507 1 62 LEU HA 1 62 LEU MD2 3.370 . 4.940 1.957 1.957 1.957 . 0 0 "[ ]" 1
1508 1 62 LEU HA 1 63 VAL H 2.400 . 3.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
1509 1 62 LEU HA 1 63 VAL QG 4.695 . 7.590 3.543 3.543 3.543 . 0 0 "[ ]" 1
1510 1 62 LEU HA 1 90 ILE MG 3.915 . 6.030 3.967 3.967 3.967 . 0 0 "[ ]" 1
1511 1 62 LEU HA 1 91 ARG H 2.700 . 3.600 2.883 2.883 2.883 . 0 0 "[ ]" 1
1512 1 62 LEU HA 1 91 ARG QB 3.840 . 5.880 2.167 2.167 2.167 . 0 0 "[ ]" 1
1513 1 62 LEU HA 1 91 ARG HG2 3.400 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
1514 1 62 LEU HA 1 91 ARG HG3 3.400 . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
1515 1 62 LEU HB2 1 91 ARG QB 3.840 . 5.880 3.962 3.962 3.962 . 0 0 "[ ]" 1
1516 1 62 LEU HB3 1 63 VAL HA 3.350 . 4.900 4.440 4.440 4.440 . 0 0 "[ ]" 1
1517 1 62 LEU QD 1 63 VAL H 3.725 . 5.650 2.537 2.537 2.537 . 0 0 "[ ]" 1
1518 1 62 LEU QD 1 63 VAL HA 4.700 . 7.600 4.512 4.512 4.512 . 0 0 "[ ]" 1
1519 1 62 LEU QD 1 91 ARG HA 4.700 . 7.600 3.895 3.895 3.895 . 0 0 "[ ]" 1
1520 1 62 LEU QD 1 91 ARG QB 3.980 . 6.160 1.791 1.791 1.791 0.009 1 0 "[ ]" 1
1521 1 62 LEU QD 1 91 ARG QD 3.690 . 5.580 2.625 2.625 2.625 . 0 0 "[ ]" 1
1522 1 62 LEU QD 1 92 PHE HA 4.555 . 7.310 3.504 3.504 3.504 . 0 0 "[ ]" 1
1523 1 62 LEU MD1 1 63 VAL H 3.915 . 6.030 4.973 4.973 4.973 . 0 0 "[ ]" 1
1524 1 62 LEU MD1 1 91 ARG HB2 4.700 . 7.600 3.584 3.584 3.584 . 0 0 "[ ]" 1
1525 1 62 LEU MD1 1 91 ARG HB3 4.700 . 7.600 3.993 3.993 3.993 . 0 0 "[ ]" 1
1526 1 62 LEU MD1 1 91 ARG HD2 3.915 . 6.030 3.538 3.538 3.538 . 0 0 "[ ]" 1
1527 1 62 LEU MD1 1 91 ARG HD3 3.915 . 6.030 3.854 3.854 3.854 . 0 0 "[ ]" 1
1528 1 62 LEU MD2 1 63 VAL H 3.915 . 6.030 2.545 2.545 2.545 . 0 0 "[ ]" 1
1529 1 62 LEU MD2 1 91 ARG HB2 4.700 . 7.600 2.097 2.097 2.097 . 0 0 "[ ]" 1
1530 1 62 LEU MD2 1 91 ARG HB3 4.700 . 7.600 1.956 1.956 1.956 . 0 0 "[ ]" 1
1531 1 62 LEU MD2 1 91 ARG HD2 3.915 . 6.030 3.492 3.492 3.492 . 0 0 "[ ]" 1
1532 1 62 LEU MD2 1 91 ARG HD3 3.915 . 6.030 2.898 2.898 2.898 . 0 0 "[ ]" 1
1533 1 62 LEU HG 1 63 VAL H 3.155 . 4.510 4.473 4.473 4.473 . 0 0 "[ ]" 1
1534 1 62 LEU HG 1 91 ARG HB2 2.735 . 3.670 1.975 1.975 1.975 . 0 0 "[ ]" 1
1535 1 62 LEU HG 1 91 ARG QB 2.510 . 3.220 1.957 1.957 1.957 . 0 0 "[ ]" 1
1536 1 62 LEU HG 1 91 ARG HB3 2.735 . 3.670 3.200 3.200 3.200 . 0 0 "[ ]" 1
1537 1 62 LEU HG 1 91 ARG HD2 3.400 . 5.000 3.192 3.192 3.192 . 0 0 "[ ]" 1
1538 1 62 LEU HG 1 91 ARG QD 2.965 . 4.130 3.015 3.015 3.015 . 0 0 "[ ]" 1
1539 1 62 LEU HG 1 91 ARG HD3 3.400 . 5.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
1540 1 63 VAL H 1 63 VAL HB 2.530 . 3.260 2.615 2.615 2.615 . 0 0 "[ ]" 1
1541 1 63 VAL H 1 63 VAL QG 2.990 . 4.180 2.467 2.467 2.467 . 0 0 "[ ]" 1
1542 1 63 VAL H 1 90 ILE MG 3.915 . 6.030 3.527 3.527 3.527 . 0 0 "[ ]" 1
1543 1 63 VAL H 1 91 ARG O 2.000 . 2.300 1.976 1.976 1.976 . 0 0 "[ ]" 1
1544 1 63 VAL H 1 92 PHE HA 2.830 . 3.860 2.925 2.925 2.925 . 0 0 "[ ]" 1
1545 1 63 VAL H 1 92 PHE QD 4.460 . 7.120 3.559 3.559 3.559 . 0 0 "[ ]" 1
1546 1 63 VAL HA 1 69 LEU QD 4.700 . 7.600 4.549 4.549 4.549 . 0 0 "[ ]" 1
1547 1 63 VAL HA 1 90 ILE MG 3.915 . 6.030 4.655 4.655 4.655 . 0 0 "[ ]" 1
1548 1 63 VAL HA 1 92 PHE QD 4.460 . 7.120 4.880 4.880 4.880 . 0 0 "[ ]" 1
1549 1 63 VAL HB 1 69 LEU MD1 3.915 . 6.030 4.263 4.263 4.263 . 0 0 "[ ]" 1
1550 1 63 VAL HB 1 69 LEU MD2 3.915 . 6.030 4.136 4.136 4.136 . 0 0 "[ ]" 1
1551 1 63 VAL HB 1 90 ILE MG 3.890 . 5.980 3.457 3.457 3.457 . 0 0 "[ ]" 1
1552 1 63 VAL HB 1 92 PHE HA 3.400 . 5.000 3.115 3.115 3.115 . 0 0 "[ ]" 1
1553 1 63 VAL HB 1 92 PHE QD 4.460 . 7.120 1.994 1.994 1.994 . 0 0 "[ ]" 1
1554 1 63 VAL QG 1 69 LEU HA 4.590 . 7.380 4.367 4.367 4.367 . 0 0 "[ ]" 1
1555 1 63 VAL QG 1 69 LEU QD 4.555 . 7.310 1.871 1.871 1.871 . 0 0 "[ ]" 1
1556 1 63 VAL QG 1 79 LEU QD 5.140 . 8.480 3.274 3.274 3.274 . 0 0 "[ ]" 1
1557 1 63 VAL QG 1 79 LEU HG 4.695 . 7.590 4.852 4.852 4.852 . 0 0 "[ ]" 1
1558 1 63 VAL QG 1 90 ILE MG 4.215 . 6.630 1.946 1.946 1.946 . 0 0 "[ ]" 1
1559 1 63 VAL QG 1 92 PHE QD 4.600 . 7.400 2.951 2.951 2.951 . 0 0 "[ ]" 1
1560 1 63 VAL MG1 1 69 LEU MD1 5.765 . 9.730 1.999 1.999 1.999 . 0 0 "[ ]" 1
1561 1 63 VAL MG1 1 69 LEU MD2 5.765 . 9.730 2.329 2.329 2.329 . 0 0 "[ ]" 1
1562 1 63 VAL MG1 1 79 LEU MD1 5.990 . 10.180 5.083 5.083 5.083 . 0 0 "[ ]" 1
1563 1 63 VAL MG1 1 79 LEU MD2 5.990 . 10.180 4.454 4.454 4.454 . 0 0 "[ ]" 1
1564 1 63 VAL MG1 1 90 ILE MG 4.430 . 7.060 3.887 3.887 3.887 . 0 0 "[ ]" 1
1565 1 63 VAL MG1 1 92 PHE HA 3.915 . 6.030 4.458 4.458 4.458 . 0 0 "[ ]" 1
1566 1 63 VAL MG1 1 92 PHE QD 4.715 . 7.630 3.239 3.239 3.239 . 0 0 "[ ]" 1
1567 1 63 VAL MG1 1 92 PHE QE 4.975 . 8.150 2.854 2.854 2.854 . 0 0 "[ ]" 1
1568 1 63 VAL MG2 1 69 LEU MD1 5.765 . 9.730 3.087 3.087 3.087 . 0 0 "[ ]" 1
1569 1 63 VAL MG2 1 69 LEU MD2 5.765 . 9.730 4.117 4.117 4.117 . 0 0 "[ ]" 1
1570 1 63 VAL MG2 1 79 LEU MD1 5.990 . 10.180 4.846 4.846 4.846 . 0 0 "[ ]" 1
1571 1 63 VAL MG2 1 79 LEU MD2 5.990 . 10.180 3.495 3.495 3.495 . 0 0 "[ ]" 1
1572 1 63 VAL MG2 1 90 ILE MG 4.430 . 7.060 1.951 1.951 1.951 . 0 0 "[ ]" 1
1573 1 63 VAL MG2 1 92 PHE HA 3.915 . 6.030 4.142 4.142 4.142 . 0 0 "[ ]" 1
1574 1 63 VAL MG2 1 92 PHE QD 4.715 . 7.630 3.398 3.398 3.398 . 0 0 "[ ]" 1
1575 1 63 VAL MG2 1 92 PHE QE 4.975 . 8.150 2.265 2.265 2.265 . 0 0 "[ ]" 1
1576 1 63 VAL N 1 91 ARG O 3.000 2.700 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 1
1577 1 63 VAL O 1 93 ILE H 2.000 . 2.300 2.295 2.295 2.295 . 0 0 "[ ]" 1
1578 1 63 VAL O 1 93 ILE N 3.000 2.700 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 1
1579 1 66 LEU H 1 68 ARG H 3.350 . 4.900 4.395 4.395 4.395 . 0 0 "[ ]" 1
1580 1 66 LEU HA 1 66 LEU MD1 3.445 . 5.090 2.198 2.198 2.198 . 0 0 "[ ]" 1
1581 1 66 LEU HA 1 66 LEU QD 3.030 . 4.260 2.185 2.185 2.185 . 0 0 "[ ]" 1
1582 1 66 LEU HA 1 66 LEU MD2 3.445 . 5.090 3.844 3.844 3.844 . 0 0 "[ ]" 1
1583 1 66 LEU HA 1 66 LEU HG 2.895 . 3.990 2.868 2.868 2.868 . 0 0 "[ ]" 1
1584 1 69 LEU H 1 69 LEU MD1 3.655 . 5.510 3.708 3.708 3.708 . 0 0 "[ ]" 1
1585 1 69 LEU H 1 69 LEU QD 3.430 . 5.060 1.874 1.874 1.874 . 0 0 "[ ]" 1
1586 1 69 LEU H 1 69 LEU MD2 3.655 . 5.510 1.879 1.879 1.879 . 0 0 "[ ]" 1
1587 1 69 LEU H 1 69 LEU HG 2.605 . 3.410 3.683 3.683 3.683 0.273 1 0 "[ ]" 1
1588 1 69 LEU HA 1 69 LEU MD1 3.535 . 5.270 2.084 2.084 2.084 . 0 0 "[ ]" 1
1589 1 69 LEU HA 1 69 LEU MD2 3.535 . 5.270 2.303 2.303 2.303 . 0 0 "[ ]" 1
1590 1 69 LEU QB 1 75 ASP HB2 3.840 . 5.880 4.604 4.604 4.604 . 0 0 "[ ]" 1
1591 1 69 LEU QD 1 75 ASP HB3 4.700 . 7.600 5.346 5.346 5.346 . 0 0 "[ ]" 1
1592 1 69 LEU QD 1 90 ILE MD 5.215 . 8.630 4.995 4.995 4.995 . 0 0 "[ ]" 1
1593 1 69 LEU QD 1 90 ILE MG 5.215 . 8.630 4.328 4.328 4.328 . 0 0 "[ ]" 1
1594 1 69 LEU MD1 1 76 MET HB2 3.915 . 6.030 3.982 3.982 3.982 . 0 0 "[ ]" 1
1595 1 69 LEU MD1 1 76 MET HB3 3.915 . 6.030 5.066 5.066 5.066 . 0 0 "[ ]" 1
1596 1 69 LEU MD1 1 76 MET HG2 3.915 . 6.030 3.140 3.140 3.140 . 0 0 "[ ]" 1
1597 1 69 LEU MD1 1 76 MET HG3 3.915 . 6.030 3.671 3.671 3.671 . 0 0 "[ ]" 1
1598 1 69 LEU MD1 1 92 PHE QD 4.975 . 8.150 5.130 5.130 5.130 . 0 0 "[ ]" 1
1599 1 69 LEU MD1 1 92 PHE QE 4.975 . 8.150 3.701 3.701 3.701 . 0 0 "[ ]" 1
1600 1 69 LEU MD2 1 76 MET HB2 3.915 . 6.030 4.018 4.018 4.018 . 0 0 "[ ]" 1
1601 1 69 LEU MD2 1 76 MET HB3 3.915 . 6.030 5.038 5.038 5.038 . 0 0 "[ ]" 1
1602 1 69 LEU MD2 1 76 MET HG2 3.915 . 6.030 3.668 3.668 3.668 . 0 0 "[ ]" 1
1603 1 69 LEU MD2 1 76 MET HG3 3.915 . 6.030 2.886 2.886 2.886 . 0 0 "[ ]" 1
1604 1 69 LEU MD2 1 92 PHE QD 4.975 . 8.150 4.401 4.401 4.401 . 0 0 "[ ]" 1
1605 1 69 LEU MD2 1 92 PHE QE 4.975 . 8.150 3.857 3.857 3.857 . 0 0 "[ ]" 1
1606 1 69 LEU HG 1 76 MET HG2 3.400 . 5.000 2.000 2.000 2.000 . 0 0 "[ ]" 1
1607 1 69 LEU HG 1 76 MET HG3 3.400 . 5.000 2.057 2.057 2.057 . 0 0 "[ ]" 1
1608 1 69 LEU HG 1 92 PHE QD 4.460 . 7.120 5.636 5.636 5.636 . 0 0 "[ ]" 1
1609 1 73 THR MG 1 74 ALA H 3.460 . 5.120 2.003 2.003 2.003 . 0 0 "[ ]" 1
1610 1 73 THR MG 1 74 ALA HA 3.915 . 6.030 4.311 4.311 4.311 . 0 0 "[ ]" 1
1611 1 73 THR MG 1 74 ALA MB 3.480 . 5.160 3.191 3.191 3.191 . 0 0 "[ ]" 1
1612 1 73 THR MG 1 75 ASP H 3.915 . 6.030 4.109 4.109 4.109 . 0 0 "[ ]" 1
1613 1 73 THR MG 1 78 GLN QG 4.350 . 6.900 4.779 4.779 4.779 . 0 0 "[ ]" 1
1614 1 74 ALA H 1 77 ILE MD 3.915 . 6.030 4.826 4.826 4.826 . 0 0 "[ ]" 1
1615 1 74 ALA HA 1 77 ILE H 2.670 . 3.540 3.470 3.470 3.470 . 0 0 "[ ]" 1
1616 1 74 ALA HA 1 77 ILE HB 2.645 . 3.490 3.523 3.523 3.523 0.033 1 0 "[ ]" 1
1617 1 74 ALA HA 1 77 ILE MD 3.380 . 4.960 2.393 2.393 2.393 . 0 0 "[ ]" 1
1618 1 74 ALA HA 1 77 ILE QG 3.800 . 5.800 4.624 4.624 4.624 . 0 0 "[ ]" 1
1619 1 74 ALA HA 1 77 ILE MG 3.915 . 6.030 4.917 4.917 4.917 . 0 0 "[ ]" 1
1620 1 74 ALA MB 1 75 ASP HA 3.915 . 6.030 4.302 4.302 4.302 . 0 0 "[ ]" 1
1621 1 74 ALA MB 1 77 ILE H 3.915 . 6.030 3.559 3.559 3.559 . 0 0 "[ ]" 1
1622 1 74 ALA MB 1 77 ILE HB 3.405 . 5.010 2.352 2.352 2.352 . 0 0 "[ ]" 1
1623 1 74 ALA MB 1 77 ILE MD 4.335 . 6.870 2.601 2.601 2.601 . 0 0 "[ ]" 1
1624 1 74 ALA MB 1 77 ILE QG 3.860 . 5.920 3.925 3.925 3.925 . 0 0 "[ ]" 1
1625 1 74 ALA MB 1 77 ILE MG 4.430 . 7.060 3.269 3.269 3.269 . 0 0 "[ ]" 1
1626 1 74 ALA MB 1 78 GLN H 3.915 . 6.030 3.534 3.534 3.534 . 0 0 "[ ]" 1
1627 1 74 ALA MB 1 78 GLN HA 3.915 . 6.030 4.183 4.183 4.183 . 0 0 "[ ]" 1
1628 1 74 ALA MB 1 78 GLN QB 4.350 . 6.900 3.833 3.833 3.833 . 0 0 "[ ]" 1
1629 1 74 ALA MB 1 78 GLN QG 4.350 . 6.900 3.962 3.962 3.962 . 0 0 "[ ]" 1
1630 1 75 ASP H 1 76 MET H 3.245 . 4.690 2.544 2.544 2.544 . 0 0 "[ ]" 1
1631 1 75 ASP H 1 77 ILE H 2.815 . 3.830 3.805 3.805 3.805 . 0 0 "[ ]" 1
1632 1 75 ASP HA 1 78 GLN H 2.995 . 4.190 3.152 3.152 3.152 . 0 0 "[ ]" 1
1633 1 75 ASP HA 1 78 GLN QB 3.125 . 4.450 2.150 2.150 2.150 . 0 0 "[ ]" 1
1634 1 75 ASP HA 1 78 GLN QG 3.840 . 5.880 3.579 3.579 3.579 . 0 0 "[ ]" 1
1635 1 75 ASP HA 1 79 LEU QD 4.700 . 7.600 4.110 4.110 4.110 . 0 0 "[ ]" 1
1636 1 75 ASP HB2 1 76 MET QB 3.840 . 5.880 4.082 4.082 4.082 . 0 0 "[ ]" 1
1637 1 75 ASP HB2 1 79 LEU QD 4.700 . 7.600 4.969 4.969 4.969 . 0 0 "[ ]" 1
1638 1 76 MET H 1 76 MET HB2 2.985 . 4.170 2.493 2.493 2.493 . 0 0 "[ ]" 1
1639 1 76 MET H 1 76 MET HB3 2.985 . 4.170 2.578 2.578 2.578 . 0 0 "[ ]" 1
1640 1 76 MET H 1 77 ILE H 2.555 . 3.310 2.741 2.741 2.741 . 0 0 "[ ]" 1
1641 1 76 MET H 1 77 ILE MD 3.915 . 6.030 3.390 3.390 3.390 . 0 0 "[ ]" 1
1642 1 76 MET HA 1 77 ILE H 2.700 . 3.600 3.531 3.531 3.531 . 0 0 "[ ]" 1
1643 1 76 MET QB 1 77 ILE QG 3.805 . 5.810 3.518 3.518 3.518 . 0 0 "[ ]" 1
1644 1 76 MET HB2 1 77 ILE HG12 4.275 . 6.750 6.693 6.693 6.693 . 0 0 "[ ]" 1
1645 1 76 MET HB2 1 77 ILE HG13 4.275 . 6.750 5.334 5.334 5.334 . 0 0 "[ ]" 1
1646 1 76 MET HB3 1 77 ILE HG12 4.275 . 6.750 4.954 4.954 4.954 . 0 0 "[ ]" 1
1647 1 76 MET HB3 1 77 ILE HG13 4.275 . 6.750 3.676 3.676 3.676 . 0 0 "[ ]" 1
1648 1 76 MET QG 1 77 ILE H 3.735 . 5.670 4.156 4.156 4.156 . 0 0 "[ ]" 1
1649 1 76 MET QG 1 77 ILE MD 4.355 . 6.910 3.929 3.929 3.929 . 0 0 "[ ]" 1
1650 1 76 MET HG2 1 80 ILE MD 3.915 . 6.030 2.629 2.629 2.629 . 0 0 "[ ]" 1
1651 1 76 MET HG2 1 92 PHE QE 4.460 . 7.120 4.710 4.710 4.710 . 0 0 "[ ]" 1
1652 1 76 MET HG3 1 80 ILE MD 3.915 . 6.030 3.671 3.671 3.671 . 0 0 "[ ]" 1
1653 1 76 MET HG3 1 92 PHE QE 4.460 . 7.120 5.241 5.241 5.241 . 0 0 "[ ]" 1
1654 1 77 ILE H 1 77 ILE HB 2.310 . 2.820 2.444 2.444 2.444 . 0 0 "[ ]" 1
1655 1 77 ILE H 1 77 ILE MD 3.380 . 4.960 2.027 2.027 2.027 . 0 0 "[ ]" 1
1656 1 77 ILE H 1 77 ILE HG12 3.400 . 5.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
1657 1 77 ILE H 1 77 ILE QG 3.185 . 4.570 2.996 2.996 2.996 . 0 0 "[ ]" 1
1658 1 77 ILE H 1 77 ILE HG13 3.400 . 5.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
1659 1 77 ILE H 1 77 ILE MG 3.120 . 4.440 3.778 3.778 3.778 . 0 0 "[ ]" 1
1660 1 77 ILE H 1 78 GLN H 2.555 . 3.310 2.394 2.394 2.394 . 0 0 "[ ]" 1
1661 1 77 ILE HA 1 77 ILE MD 2.990 . 4.180 3.372 3.372 3.372 . 0 0 "[ ]" 1
1662 1 77 ILE HA 1 77 ILE HG12 2.700 . 3.600 3.443 3.443 3.443 . 0 0 "[ ]" 1
1663 1 77 ILE HA 1 77 ILE QG 2.620 . 3.440 2.251 2.251 2.251 . 0 0 "[ ]" 1
1664 1 77 ILE HA 1 77 ILE HG13 2.700 . 3.600 2.282 2.282 2.282 . 0 0 "[ ]" 1
1665 1 77 ILE HA 1 80 ILE H 3.190 . 4.580 3.378 3.378 3.378 . 0 0 "[ ]" 1
1666 1 77 ILE HA 1 80 ILE MD 3.915 . 6.030 1.989 1.989 1.989 . 0 0 "[ ]" 1
1667 1 77 ILE HA 1 80 ILE MG 3.615 . 5.430 3.349 3.349 3.349 . 0 0 "[ ]" 1
1668 1 77 ILE HA 1 81 LYS H 2.920 . 4.040 3.966 3.966 3.966 . 0 0 "[ ]" 1
1669 1 77 ILE MD 1 77 ILE MG 3.130 . 4.460 3.080 3.080 3.080 . 0 0 "[ ]" 1
1670 1 77 ILE MD 1 78 GLN H 3.705 . 5.610 3.873 3.873 3.873 . 0 0 "[ ]" 1
1671 1 77 ILE QG 1 80 ILE MG 3.780 . 5.760 4.106 4.106 4.106 . 0 0 "[ ]" 1
1672 1 77 ILE MG 1 78 GLN H 3.915 . 6.030 3.794 3.794 3.794 . 0 0 "[ ]" 1
1673 1 77 ILE MG 1 78 GLN HA 3.615 . 5.430 3.701 3.701 3.701 . 0 0 "[ ]" 1
1674 1 77 ILE MG 1 78 GLN QB 4.350 . 6.900 4.807 4.807 4.807 . 0 0 "[ ]" 1
1675 1 77 ILE MG 1 81 LYS QE 3.730 . 5.660 1.805 1.805 1.805 . 0 0 "[ ]" 1
1676 1 77 ILE O 1 81 LYS H 2.000 . 2.300 1.973 1.973 1.973 . 0 0 "[ ]" 1
1677 1 77 ILE O 1 81 LYS N 3.000 2.700 3.300 2.887 2.887 2.887 . 0 0 "[ ]" 1
1678 1 78 GLN H 1 78 GLN QB 2.705 . 3.610 2.112 2.112 2.112 . 0 0 "[ ]" 1
1679 1 78 GLN H 1 78 GLN QE 3.835 . 5.870 5.078 5.078 5.078 . 0 0 "[ ]" 1
1680 1 78 GLN H 1 78 GLN QG 3.370 . 4.940 3.710 3.710 3.710 . 0 0 "[ ]" 1
1681 1 78 GLN H 1 79 LEU H 2.490 . 3.180 3.051 3.051 3.051 . 0 0 "[ ]" 1
1682 1 78 GLN HA 1 78 GLN QE 3.315 . 4.830 2.598 2.598 2.598 . 0 0 "[ ]" 1
1683 1 78 GLN HA 1 79 LEU QD 4.440 . 7.080 4.279 4.279 4.279 . 0 0 "[ ]" 1
1684 1 78 GLN HA 1 81 LYS H 2.685 . 3.570 3.597 3.597 3.597 0.027 1 0 "[ ]" 1
1685 1 78 GLN HA 1 81 LYS QB 3.030 . 4.260 3.136 3.136 3.136 . 0 0 "[ ]" 1
1686 1 78 GLN HA 1 81 LYS QE 3.840 . 5.880 3.698 3.698 3.698 . 0 0 "[ ]" 1
1687 1 78 GLN HA 1 82 GLU HB2 3.400 . 5.000 4.899 4.899 4.899 . 0 0 "[ ]" 1
1688 1 78 GLN QB 1 78 GLN HE21 3.565 . 5.330 3.799 3.799 3.799 . 0 0 "[ ]" 1
1689 1 78 GLN QB 1 78 GLN HE22 3.565 . 5.330 4.201 4.201 4.201 . 0 0 "[ ]" 1
1690 1 78 GLN QB 1 79 LEU MD1 4.350 . 6.900 3.124 3.124 3.124 . 0 0 "[ ]" 1
1691 1 78 GLN QB 1 79 LEU MD2 4.350 . 6.900 5.060 5.060 5.060 . 0 0 "[ ]" 1
1692 1 78 GLN QB 1 81 LYS QE 4.275 . 6.750 5.364 5.364 5.364 . 0 0 "[ ]" 1
1693 1 78 GLN QB 1 82 GLU HB2 3.840 . 5.880 4.912 4.912 4.912 . 0 0 "[ ]" 1
1694 1 78 GLN QE 1 81 LYS QB 4.275 . 6.750 3.423 3.423 3.423 . 0 0 "[ ]" 1
1695 1 78 GLN QG 1 79 LEU QD 5.135 . 8.470 4.747 4.747 4.747 . 0 0 "[ ]" 1
1696 1 78 GLN QG 1 81 LYS QB 4.275 . 6.750 4.625 4.625 4.625 . 0 0 "[ ]" 1
1697 1 78 GLN QG 1 81 LYS QE 4.275 . 6.750 4.742 4.742 4.742 . 0 0 "[ ]" 1
1698 1 78 GLN QG 1 82 GLU HB2 3.840 . 5.880 5.297 5.297 5.297 . 0 0 "[ ]" 1
1699 1 78 GLN O 1 82 GLU H 2.000 . 2.300 2.031 2.031 2.031 . 0 0 "[ ]" 1
1700 1 78 GLN O 1 82 GLU N 3.000 2.700 3.300 2.957 2.957 2.957 . 0 0 "[ ]" 1
1701 1 79 LEU H 1 79 LEU HB2 2.920 . 4.040 3.661 3.661 3.661 . 0 0 "[ ]" 1
1702 1 79 LEU H 1 79 LEU HB3 2.660 . 3.520 2.503 2.503 2.503 . 0 0 "[ ]" 1
1703 1 79 LEU H 1 79 LEU MD1 3.915 . 6.030 1.830 1.830 1.830 . 0 0 "[ ]" 1
1704 1 79 LEU H 1 79 LEU QD 3.735 . 5.670 1.825 1.825 1.825 . 0 0 "[ ]" 1
1705 1 79 LEU H 1 79 LEU MD2 3.915 . 6.030 3.720 3.720 3.720 . 0 0 "[ ]" 1
1706 1 79 LEU H 1 79 LEU HG 3.400 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
1707 1 79 LEU H 1 80 ILE H 2.620 . 3.440 2.805 2.805 2.805 . 0 0 "[ ]" 1
1708 1 79 LEU HA 1 79 LEU HB3 2.245 . 2.690 2.508 2.508 2.508 . 0 0 "[ ]" 1
1709 1 79 LEU HA 1 82 GLU HB2 2.790 . 3.780 2.669 2.669 2.669 . 0 0 "[ ]" 1
1710 1 79 LEU HA 1 82 GLU HB3 2.540 . 3.280 2.551 2.551 2.551 . 0 0 "[ ]" 1
1711 1 79 LEU HA 1 82 GLU HG2 3.400 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
1712 1 79 LEU HA 1 82 GLU HG3 3.400 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
1713 1 79 LEU HA 1 83 PHE QD 4.460 . 7.120 4.330 4.330 4.330 . 0 0 "[ ]" 1
1714 1 79 LEU HA 1 83 PHE QE 4.460 . 7.120 4.490 4.490 4.490 . 0 0 "[ ]" 1
1715 1 79 LEU HB2 1 80 ILE H 3.385 . 4.970 4.300 4.300 4.300 . 0 0 "[ ]" 1
1716 1 79 LEU QD 1 82 GLU HB2 4.555 . 7.310 4.840 4.840 4.840 . 0 0 "[ ]" 1
1717 1 79 LEU QD 1 82 GLU HB3 4.440 . 7.080 4.388 4.388 4.388 . 0 0 "[ ]" 1
1718 1 79 LEU QD 1 83 PHE QE 5.760 . 9.720 2.028 2.028 2.028 . 0 0 "[ ]" 1
1719 1 79 LEU QD 1 83 PHE HZ 4.700 . 7.600 4.190 4.190 4.190 . 0 0 "[ ]" 1
1720 1 79 LEU QD 1 90 ILE MD 4.280 . 6.760 2.362 2.362 2.362 . 0 0 "[ ]" 1
1721 1 79 LEU MD1 1 80 ILE HA 3.915 . 6.030 3.789 3.789 3.789 . 0 0 "[ ]" 1
1722 1 79 LEU MD1 1 90 ILE MD 4.415 . 7.030 4.036 4.036 4.036 . 0 0 "[ ]" 1
1723 1 79 LEU MD2 1 80 ILE HA 3.915 . 6.030 2.526 2.526 2.526 . 0 0 "[ ]" 1
1724 1 79 LEU MD2 1 90 ILE MD 4.415 . 7.030 2.378 2.378 2.378 . 0 0 "[ ]" 1
1725 1 79 LEU HG 1 83 PHE QE 4.460 . 7.120 3.596 3.596 3.596 . 0 0 "[ ]" 1
1726 1 79 LEU HG 1 90 ILE MD 3.915 . 6.030 4.837 4.837 4.837 . 0 0 "[ ]" 1
1727 1 79 LEU O 1 83 PHE H 2.000 . 2.300 2.149 2.149 2.149 . 0 0 "[ ]" 1
1728 1 79 LEU O 1 83 PHE N 3.000 2.700 3.300 3.051 3.051 3.051 . 0 0 "[ ]" 1
1729 1 80 ILE H 1 80 ILE HB 2.360 . 2.920 2.336 2.336 2.336 . 0 0 "[ ]" 1
1730 1 80 ILE H 1 80 ILE QG 3.760 . 5.720 2.542 2.542 2.542 . 0 0 "[ ]" 1
1731 1 80 ILE H 1 81 LYS H 2.685 . 3.570 2.444 2.444 2.444 . 0 0 "[ ]" 1
1732 1 80 ILE H 1 82 GLU H 3.075 . 4.350 3.669 3.669 3.669 . 0 0 "[ ]" 1
1733 1 80 ILE HA 1 80 ILE MD 3.210 . 4.620 3.784 3.784 3.784 . 0 0 "[ ]" 1
1734 1 80 ILE HA 1 83 PHE H 3.270 . 4.740 3.469 3.469 3.469 . 0 0 "[ ]" 1
1735 1 80 ILE HA 1 83 PHE QD 4.460 . 7.120 3.002 3.002 3.002 . 0 0 "[ ]" 1
1736 1 80 ILE HA 1 84 ASP H 3.165 . 4.530 3.898 3.898 3.898 . 0 0 "[ ]" 1
1737 1 80 ILE HA 1 90 ILE HB 3.400 . 5.000 4.881 4.881 4.881 . 0 0 "[ ]" 1
1738 1 80 ILE HA 1 90 ILE MD 3.720 . 5.640 2.012 2.012 2.012 . 0 0 "[ ]" 1
1739 1 80 ILE HA 1 90 ILE HG12 3.400 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
1740 1 80 ILE HA 1 90 ILE HG13 3.400 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
1741 1 80 ILE HA 1 90 ILE MG 3.915 . 6.030 4.340 4.340 4.340 . 0 0 "[ ]" 1
1742 1 80 ILE HB 1 90 ILE MD 3.565 . 5.330 4.086 4.086 4.086 . 0 0 "[ ]" 1
1743 1 80 ILE MD 1 90 ILE MD 4.170 . 6.540 3.461 3.461 3.461 . 0 0 "[ ]" 1
1744 1 80 ILE MD 1 90 ILE MG 4.430 . 7.060 3.929 3.929 3.929 . 0 0 "[ ]" 1
1745 1 80 ILE MD 1 92 PHE QD 4.700 . 7.600 4.982 4.982 4.982 . 0 0 "[ ]" 1
1746 1 80 ILE MD 1 92 PHE QE 4.975 . 8.150 3.301 3.301 3.301 . 0 0 "[ ]" 1
1747 1 80 ILE QG 1 90 ILE MD 3.265 . 4.730 2.107 2.107 2.107 . 0 0 "[ ]" 1
1748 1 80 ILE QG 1 90 ILE MG 3.710 . 5.620 3.111 3.111 3.111 . 0 0 "[ ]" 1
1749 1 80 ILE HG12 1 90 ILE MD 3.355 . 4.910 2.140 2.140 2.140 . 0 0 "[ ]" 1
1750 1 80 ILE HG12 1 90 ILE MG 3.915 . 6.030 3.204 3.204 3.204 . 0 0 "[ ]" 1
1751 1 80 ILE HG13 1 90 ILE MD 3.355 . 4.910 3.153 3.153 3.153 . 0 0 "[ ]" 1
1752 1 80 ILE HG13 1 90 ILE MG 3.915 . 6.030 4.214 4.214 4.214 . 0 0 "[ ]" 1
1753 1 80 ILE MG 1 81 LYS HA 3.510 . 5.220 3.364 3.364 3.364 . 0 0 "[ ]" 1
1754 1 80 ILE MG 1 81 LYS QB 4.350 . 6.900 4.214 4.214 4.214 . 0 0 "[ ]" 1
1755 1 80 ILE MG 1 84 ASP H 3.890 . 5.980 4.075 4.075 4.075 . 0 0 "[ ]" 1
1756 1 80 ILE MG 1 84 ASP HB2 3.915 . 6.030 3.237 3.237 3.237 . 0 0 "[ ]" 1
1757 1 80 ILE MG 1 84 ASP HB3 3.915 . 6.030 4.497 4.497 4.497 . 0 0 "[ ]" 1
1758 1 80 ILE MG 1 90 ILE MD 4.170 . 6.540 2.385 2.385 2.385 . 0 0 "[ ]" 1
1759 1 80 ILE MG 1 90 ILE MG 4.430 . 7.060 4.294 4.294 4.294 . 0 0 "[ ]" 1
1760 1 80 ILE MG 1 92 PHE QD 4.975 . 8.150 5.925 5.925 5.925 . 0 0 "[ ]" 1
1761 1 80 ILE MG 1 92 PHE QE 4.975 . 8.150 4.059 4.059 4.059 . 0 0 "[ ]" 1
1762 1 81 LYS H 1 81 LYS HD2 3.270 . 4.740 4.591 4.591 4.591 . 0 0 "[ ]" 1
1763 1 81 LYS H 1 81 LYS QD 3.075 . 4.350 2.939 2.939 2.939 . 0 0 "[ ]" 1
1764 1 81 LYS H 1 81 LYS HD3 3.270 . 4.740 2.974 2.974 2.974 . 0 0 "[ ]" 1
1765 1 81 LYS H 1 81 LYS QG 3.840 . 5.880 3.792 3.792 3.792 . 0 0 "[ ]" 1
1766 1 81 LYS H 1 82 GLU H 2.335 . 2.870 2.487 2.487 2.487 . 0 0 "[ ]" 1
1767 1 81 LYS HA 1 81 LYS QD 3.100 . 4.400 2.967 2.967 2.967 . 0 0 "[ ]" 1
1768 1 81 LYS HA 1 84 ASP H 2.620 . 3.440 3.397 3.397 3.397 . 0 0 "[ ]" 1
1769 1 81 LYS HA 1 84 ASP HB2 2.360 . 2.920 2.804 2.804 2.804 . 0 0 "[ ]" 1
1770 1 81 LYS HA 1 84 ASP QB 2.250 . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
1771 1 81 LYS HA 1 84 ASP HB3 2.360 . 2.920 2.803 2.803 2.803 . 0 0 "[ ]" 1
1772 1 81 LYS QB 1 81 LYS QD 2.740 . 3.680 2.181 2.181 2.181 . 0 0 "[ ]" 1
1773 1 81 LYS QB 1 81 LYS QE 3.810 . 5.820 2.315 2.315 2.315 . 0 0 "[ ]" 1
1774 1 81 LYS QB 1 82 GLU H 3.005 . 4.210 2.851 2.851 2.851 . 0 0 "[ ]" 1
1775 1 81 LYS QB 1 84 ASP QB 4.280 . 6.760 4.318 4.318 4.318 . 0 0 "[ ]" 1
1776 1 81 LYS QD 1 84 ASP QB 3.605 . 5.410 4.419 4.419 4.419 . 0 0 "[ ]" 1
1777 1 81 LYS HD2 1 84 ASP HB2 4.275 . 6.750 5.685 5.685 5.685 . 0 0 "[ ]" 1
1778 1 81 LYS HD2 1 84 ASP HB3 4.275 . 6.750 5.615 5.615 5.615 . 0 0 "[ ]" 1
1779 1 81 LYS HD3 1 84 ASP HB2 4.275 . 6.750 5.362 5.362 5.362 . 0 0 "[ ]" 1
1780 1 81 LYS HD3 1 84 ASP HB3 4.275 . 6.750 5.648 5.648 5.648 . 0 0 "[ ]" 1
1781 1 82 GLU H 1 82 GLU HB3 2.905 . 4.010 2.788 2.788 2.788 . 0 0 "[ ]" 1
1782 1 82 GLU H 1 83 PHE H 2.475 . 3.150 2.630 2.630 2.630 . 0 0 "[ ]" 1
1783 1 82 GLU H 1 83 PHE QD 4.460 . 7.120 5.064 5.064 5.064 . 0 0 "[ ]" 1
1784 1 82 GLU H 1 84 ASP H 3.320 . 4.840 3.930 3.930 3.930 . 0 0 "[ ]" 1
1785 1 82 GLU HA 1 82 GLU HG2 2.775 . 3.750 3.619 3.619 3.619 . 0 0 "[ ]" 1
1786 1 82 GLU HA 1 82 GLU QG 2.590 . 3.380 2.417 2.417 2.417 . 0 0 "[ ]" 1
1787 1 82 GLU HA 1 82 GLU HG3 2.775 . 3.750 2.454 2.454 2.454 . 0 0 "[ ]" 1
1788 1 82 GLU HA 1 83 PHE QD 4.460 . 7.120 5.786 5.786 5.786 . 0 0 "[ ]" 1
1789 1 82 GLU HA 1 85 ALA MB 3.225 . 4.650 3.103 3.103 3.103 . 0 0 "[ ]" 1
1790 1 82 GLU HB2 1 83 PHE H 3.335 . 4.870 3.644 3.644 3.644 . 0 0 "[ ]" 1
1791 1 82 GLU HB2 1 83 PHE QD 4.460 . 7.120 5.506 5.506 5.506 . 0 0 "[ ]" 1
1792 1 82 GLU HB3 1 83 PHE H 3.335 . 4.870 2.552 2.552 2.552 . 0 0 "[ ]" 1
1793 1 82 GLU HG2 1 83 PHE QD 4.460 . 7.120 5.302 5.302 5.302 . 0 0 "[ ]" 1
1794 1 82 GLU HG3 1 83 PHE QD 4.460 . 7.120 5.087 5.087 5.087 . 0 0 "[ ]" 1
1795 1 83 PHE H 1 83 PHE HB2 2.725 . 3.650 2.347 2.347 2.347 . 0 0 "[ ]" 1
1796 1 83 PHE H 1 83 PHE QB 2.565 . 3.330 2.319 2.319 2.319 . 0 0 "[ ]" 1
1797 1 83 PHE H 1 83 PHE HB3 2.725 . 3.650 3.606 3.606 3.606 . 0 0 "[ ]" 1
1798 1 83 PHE H 1 83 PHE QE 4.460 . 7.120 4.823 4.823 4.823 . 0 0 "[ ]" 1
1799 1 83 PHE H 1 84 ASP H 2.505 . 3.210 2.479 2.479 2.479 . 0 0 "[ ]" 1
1800 1 83 PHE H 1 90 ILE MD 3.810 . 5.820 3.700 3.700 3.700 . 0 0 "[ ]" 1
1801 1 83 PHE HA 1 86 GLN H 2.450 . 3.100 3.106 3.106 3.106 0.006 1 0 "[ ]" 1
1802 1 83 PHE HA 1 86 GLN QB 3.175 . 4.550 2.261 2.261 2.261 . 0 0 "[ ]" 1
1803 1 83 PHE HA 1 86 GLN QG 3.425 . 5.050 3.968 3.968 3.968 . 0 0 "[ ]" 1
1804 1 83 PHE HA 1 88 VAL H 3.205 . 4.610 4.043 4.043 4.043 . 0 0 "[ ]" 1
1805 1 83 PHE HA 1 88 VAL HB 2.765 . 3.730 3.020 3.020 3.020 . 0 0 "[ ]" 1
1806 1 83 PHE HA 1 88 VAL MG1 3.915 . 6.030 4.245 4.245 4.245 . 0 0 "[ ]" 1
1807 1 83 PHE HA 1 88 VAL QG 3.685 . 5.570 3.338 3.338 3.338 . 0 0 "[ ]" 1
1808 1 83 PHE HA 1 88 VAL MG2 3.915 . 6.030 3.492 3.492 3.492 . 0 0 "[ ]" 1
1809 1 83 PHE HA 1 90 ILE MD 3.915 . 6.030 4.668 4.668 4.668 . 0 0 "[ ]" 1
1810 1 83 PHE QB 1 84 ASP HA 3.840 . 5.880 3.911 3.911 3.911 . 0 0 "[ ]" 1
1811 1 83 PHE QB 1 88 VAL HB 3.840 . 5.880 2.275 2.275 2.275 . 0 0 "[ ]" 1
1812 1 83 PHE QB 1 88 VAL QG 4.615 . 7.430 2.882 2.882 2.882 . 0 0 "[ ]" 1
1813 1 83 PHE QB 1 90 ILE MD 3.745 . 5.690 1.938 1.938 1.938 . 0 0 "[ ]" 1
1814 1 83 PHE HB2 1 88 VAL MG1 5.475 . 9.150 4.421 4.421 4.421 . 0 0 "[ ]" 1
1815 1 83 PHE HB2 1 88 VAL MG2 5.475 . 9.150 5.211 5.211 5.211 . 0 0 "[ ]" 1
1816 1 83 PHE HB2 1 90 ILE MD 3.860 . 5.920 1.965 1.965 1.965 . 0 0 "[ ]" 1
1817 1 83 PHE HB3 1 88 VAL MG1 5.475 . 9.150 3.043 3.043 3.043 . 0 0 "[ ]" 1
1818 1 83 PHE HB3 1 88 VAL MG2 5.475 . 9.150 3.862 3.862 3.862 . 0 0 "[ ]" 1
1819 1 83 PHE HB3 1 90 ILE MD 3.860 . 5.920 2.959 2.959 2.959 . 0 0 "[ ]" 1
1820 1 83 PHE QD 1 84 ASP H 4.460 . 7.120 4.495 4.495 4.495 . 0 0 "[ ]" 1
1821 1 83 PHE QD 1 85 ALA H 4.460 . 7.120 5.797 5.797 5.797 . 0 0 "[ ]" 1
1822 1 83 PHE QD 1 86 GLN QB 4.900 . 8.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
1823 1 83 PHE QD 1 86 GLN QG 4.900 . 8.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
1824 1 83 PHE QD 1 88 VAL H 4.460 . 7.120 4.818 4.818 4.818 . 0 0 "[ ]" 1
1825 1 83 PHE QD 1 88 VAL MG1 4.975 . 8.150 3.204 3.204 3.204 . 0 0 "[ ]" 1
1826 1 83 PHE QD 1 88 VAL MG2 4.975 . 8.150 2.823 2.823 2.823 . 0 0 "[ ]" 1
1827 1 83 PHE QD 1 90 ILE MD 4.625 . 7.450 1.943 1.943 1.943 . 0 0 "[ ]" 1
1828 1 83 PHE QD 1 90 ILE QG 4.900 . 8.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
1829 1 83 PHE QD 1 90 ILE MG 4.975 . 8.150 4.052 4.052 4.052 . 0 0 "[ ]" 1
1830 1 83 PHE QE 1 88 VAL MG1 4.975 . 8.150 4.090 4.090 4.090 . 0 0 "[ ]" 1
1831 1 83 PHE QE 1 88 VAL MG2 4.975 . 8.150 4.167 4.167 4.167 . 0 0 "[ ]" 1
1832 1 83 PHE QE 1 90 ILE MD 4.975 . 8.150 3.814 3.814 3.814 . 0 0 "[ ]" 1
1833 1 83 PHE QE 1 90 ILE MG 4.975 . 8.150 4.776 4.776 4.776 . 0 0 "[ ]" 1
1834 1 83 PHE O 1 88 VAL H 2.000 . 2.300 2.063 2.063 2.063 . 0 0 "[ ]" 1
1835 1 83 PHE O 1 88 VAL N 3.000 2.700 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 1
1836 1 84 ASP H 1 84 ASP HB2 2.345 . 2.890 2.241 2.241 2.241 . 0 0 "[ ]" 1
1837 1 84 ASP H 1 84 ASP HB3 2.345 . 2.890 2.905 2.905 2.905 0.015 1 0 "[ ]" 1
1838 1 84 ASP H 1 85 ALA H 2.490 . 3.180 2.671 2.671 2.671 . 0 0 "[ ]" 1
1839 1 84 ASP H 1 85 ALA MB 3.720 . 5.640 4.339 4.339 4.339 . 0 0 "[ ]" 1
1840 1 84 ASP H 1 86 GLN H 3.010 . 4.220 3.960 3.960 3.960 . 0 0 "[ ]" 1
1841 1 84 ASP H 1 90 ILE MD 3.915 . 6.030 3.907 3.907 3.907 . 0 0 "[ ]" 1
1842 1 84 ASP HA 1 88 VAL QG 4.280 . 6.760 4.992 4.992 4.992 . 0 0 "[ ]" 1
1843 1 84 ASP HA 1 90 ILE MD 3.915 . 6.030 4.933 4.933 4.933 . 0 0 "[ ]" 1
1844 1 84 ASP QB 1 85 ALA MB 3.910 . 6.020 3.735 3.735 3.735 . 0 0 "[ ]" 1
1845 1 84 ASP HB2 1 85 ALA H 2.710 . 3.620 3.655 3.655 3.655 0.035 1 0 "[ ]" 1
1846 1 84 ASP HB3 1 85 ALA H 2.710 . 3.620 2.745 2.745 2.745 . 0 0 "[ ]" 1
1847 1 85 ALA H 1 86 GLN H 2.205 . 2.610 2.427 2.427 2.427 . 0 0 "[ ]" 1
1848 1 85 ALA MB 1 86 GLN HA 3.340 . 4.880 3.891 3.891 3.891 . 0 0 "[ ]" 1
1849 1 85 ALA MB 1 86 GLN QB 3.950 . 6.100 4.127 4.127 4.127 . 0 0 "[ ]" 1
1850 1 85 ALA MB 1 87 GLY H 3.915 . 6.030 4.282 4.282 4.282 . 0 0 "[ ]" 1
1851 1 86 GLN H 1 86 GLN HA 2.335 . 2.870 2.921 2.921 2.921 0.051 1 0 "[ ]" 1
1852 1 86 GLN H 1 86 GLN HB2 2.555 . 3.310 2.120 2.120 2.120 . 0 0 "[ ]" 1
1853 1 86 GLN H 1 86 GLN HB3 2.555 . 3.310 3.351 3.351 3.351 0.041 1 0 "[ ]" 1
1854 1 86 GLN H 1 86 GLN QG 3.645 . 5.490 3.360 3.360 3.360 . 0 0 "[ ]" 1
1855 1 86 GLN H 1 87 GLY H 2.465 . 3.130 2.659 2.659 2.659 . 0 0 "[ ]" 1
1856 1 86 GLN H 1 88 VAL H 2.750 . 3.700 3.568 3.568 3.568 . 0 0 "[ ]" 1
1857 1 86 GLN H 1 88 VAL HB 3.190 . 4.580 4.599 4.599 4.599 0.019 1 0 "[ ]" 1
1858 1 86 GLN H 1 88 VAL QG 4.695 . 7.590 4.220 4.220 4.220 . 0 0 "[ ]" 1
1859 1 86 GLN HA 1 86 GLN HG2 3.010 . 4.220 2.012 2.012 2.012 . 0 0 "[ ]" 1
1860 1 86 GLN HA 1 86 GLN HG3 3.010 . 4.220 2.980 2.980 2.980 . 0 0 "[ ]" 1
1861 1 86 GLN HA 1 87 GLY H 2.645 . 3.490 3.286 3.286 3.286 . 0 0 "[ ]" 1
1862 1 86 GLN HA 1 87 GLY QA 3.630 . 5.460 4.227 4.227 4.227 . 0 0 "[ ]" 1
1863 1 86 GLN HA 1 88 VAL QG 4.695 . 7.590 4.269 4.269 4.269 . 0 0 "[ ]" 1
1864 1 86 GLN QB 1 86 GLN QG 2.120 . 2.440 2.080 2.080 2.080 . 0 0 "[ ]" 1
1865 1 86 GLN QB 1 87 GLY QA 4.175 . 6.550 4.237 4.237 4.237 . 0 0 "[ ]" 1
1866 1 86 GLN QB 1 88 VAL H 3.025 . 4.250 3.346 3.346 3.346 . 0 0 "[ ]" 1
1867 1 86 GLN QB 1 88 VAL HB 3.840 . 5.880 3.349 3.349 3.349 . 0 0 "[ ]" 1
1868 1 86 GLN QB 1 88 VAL QG 3.670 . 5.540 2.148 2.148 2.148 . 0 0 "[ ]" 1
1869 1 86 GLN HB2 1 88 VAL H 3.230 . 4.660 3.860 3.860 3.860 . 0 0 "[ ]" 1
1870 1 86 GLN HB2 1 88 VAL MG1 3.915 . 6.030 5.035 5.035 5.035 . 0 0 "[ ]" 1
1871 1 86 GLN HB2 1 88 VAL MG2 3.915 . 6.030 3.152 3.152 3.152 . 0 0 "[ ]" 1
1872 1 86 GLN HB3 1 88 VAL H 3.230 . 4.660 3.668 3.668 3.668 . 0 0 "[ ]" 1
1873 1 86 GLN HB3 1 88 VAL MG1 3.915 . 6.030 4.594 4.594 4.594 . 0 0 "[ ]" 1
1874 1 86 GLN HB3 1 88 VAL MG2 3.915 . 6.030 2.193 2.193 2.193 . 0 0 "[ ]" 1
1875 1 87 GLY H 1 88 VAL H 2.140 . 2.480 2.486 2.486 2.486 0.006 1 0 "[ ]" 1
1876 1 87 GLY H 1 88 VAL QG 4.695 . 7.590 3.984 3.984 3.984 . 0 0 "[ ]" 1
1877 1 88 VAL H 1 88 VAL HB 2.465 . 3.130 2.597 2.597 2.597 . 0 0 "[ ]" 1
1878 1 88 VAL HA 1 89 SER H 2.255 . 2.710 2.292 2.292 2.292 . 0 0 "[ ]" 1
1879 1 88 VAL HA 1 89 SER HA 3.100 . 4.400 4.430 4.430 4.430 0.030 1 0 "[ ]" 1
1880 1 88 VAL HA 1 89 SER QB 3.840 . 5.880 4.171 4.171 4.171 . 0 0 "[ ]" 1
1881 1 88 VAL HB 1 89 SER H 2.840 . 3.880 3.894 3.894 3.894 0.014 1 0 "[ ]" 1
1882 1 88 VAL QG 1 89 SER H 3.415 . 5.030 2.133 2.133 2.133 . 0 0 "[ ]" 1
1883 1 88 VAL QG 1 89 SER HA 4.655 . 7.510 3.738 3.738 3.738 . 0 0 "[ ]" 1
1884 1 88 VAL QG 1 89 SER QB 5.130 . 8.460 3.715 3.715 3.715 . 0 0 "[ ]" 1
1885 1 88 VAL QG 1 90 ILE HA 4.695 . 7.590 4.297 4.297 4.297 . 0 0 "[ ]" 1
1886 1 88 VAL QG 1 90 ILE QG 4.470 . 7.140 3.328 3.328 3.328 . 0 0 "[ ]" 1
1887 1 88 VAL MG1 1 89 SER H 3.915 . 6.030 2.142 2.142 2.142 . 0 0 "[ ]" 1
1888 1 88 VAL MG1 1 90 ILE HG12 5.475 . 9.150 3.693 3.693 3.693 . 0 0 "[ ]" 1
1889 1 88 VAL MG1 1 90 ILE HG13 5.475 . 9.150 3.869 3.869 3.869 . 0 0 "[ ]" 1
1890 1 88 VAL MG2 1 89 SER H 3.915 . 6.030 3.949 3.949 3.949 . 0 0 "[ ]" 1
1891 1 88 VAL MG2 1 90 ILE HG12 5.475 . 9.150 5.958 5.958 5.958 . 0 0 "[ ]" 1
1892 1 88 VAL MG2 1 90 ILE HG13 5.475 . 9.150 5.978 5.978 5.978 . 0 0 "[ ]" 1
1893 1 89 SER H 1 90 ILE H 3.270 . 4.740 4.565 4.565 4.565 . 0 0 "[ ]" 1
1894 1 89 SER HA 1 90 ILE H 2.180 . 2.560 2.429 2.429 2.429 . 0 0 "[ ]" 1
1895 1 89 SER HA 1 90 ILE HA 3.245 . 4.690 4.531 4.531 4.531 . 0 0 "[ ]" 1
1896 1 89 SER HA 1 90 ILE QG 3.840 . 5.880 3.184 3.184 3.184 . 0 0 "[ ]" 1
1897 1 89 SER QB 1 90 ILE HA 3.840 . 5.880 3.984 3.984 3.984 . 0 0 "[ ]" 1
1898 1 89 SER QB 1 91 ARG QD 4.280 . 6.760 5.342 5.342 5.342 . 0 0 "[ ]" 1
1899 1 89 SER QB 1 91 ARG HG2 3.840 . 5.880 4.064 4.064 4.064 . 0 0 "[ ]" 1
1900 1 89 SER QB 1 91 ARG HG3 3.840 . 5.880 4.032 4.032 4.032 . 0 0 "[ ]" 1
1901 1 90 ILE H 1 90 ILE HB 2.410 . 3.020 2.839 2.839 2.839 . 0 0 "[ ]" 1
1902 1 90 ILE H 1 90 ILE MD 3.500 . 5.200 4.085 4.085 4.085 . 0 0 "[ ]" 1
1903 1 90 ILE H 1 90 ILE HG12 2.985 . 4.170 3.945 3.945 3.945 . 0 0 "[ ]" 1
1904 1 90 ILE H 1 90 ILE QG 2.895 . 3.990 2.768 2.768 2.768 . 0 0 "[ ]" 1
1905 1 90 ILE H 1 90 ILE HG13 2.985 . 4.170 2.827 2.827 2.827 . 0 0 "[ ]" 1
1906 1 90 ILE H 1 91 ARG H 3.025 . 4.250 3.953 3.953 3.953 . 0 0 "[ ]" 1
1907 1 90 ILE HA 1 90 ILE HG12 2.960 . 4.120 2.621 2.621 2.621 . 0 0 "[ ]" 1
1908 1 90 ILE HA 1 90 ILE QG 2.880 . 3.960 2.495 2.495 2.495 . 0 0 "[ ]" 1
1909 1 90 ILE HA 1 90 ILE HG13 2.960 . 4.120 3.130 3.130 3.130 . 0 0 "[ ]" 1
1910 1 90 ILE HA 1 91 ARG H 2.425 . 3.050 2.229 2.229 2.229 . 0 0 "[ ]" 1
1911 1 90 ILE HA 1 91 ARG HA 3.320 . 4.840 4.508 4.508 4.508 . 0 0 "[ ]" 1
1912 1 90 ILE HB 1 92 PHE QE 4.460 . 7.120 3.543 3.543 3.543 . 0 0 "[ ]" 1
1913 1 90 ILE MD 1 92 PHE QD 4.975 . 8.150 5.527 5.527 5.527 . 0 0 "[ ]" 1
1914 1 90 ILE MD 1 92 PHE QE 4.975 . 8.150 3.981 3.981 3.981 . 0 0 "[ ]" 1
1915 1 90 ILE MD 1 99 THR MG 4.430 . 7.060 3.633 3.633 3.633 . 0 0 "[ ]" 1
1916 1 90 ILE QG 1 91 ARG H 3.840 . 5.880 4.439 4.439 4.439 . 0 0 "[ ]" 1
1917 1 90 ILE MG 1 91 ARG H 3.305 . 4.810 3.196 3.196 3.196 . 0 0 "[ ]" 1
1918 1 90 ILE MG 1 91 ARG HA 3.915 . 6.030 4.299 4.299 4.299 . 0 0 "[ ]" 1
1919 1 90 ILE MG 1 92 PHE QD 4.845 . 7.890 3.723 3.723 3.723 . 0 0 "[ ]" 1
1920 1 90 ILE MG 1 99 THR MG 4.430 . 7.060 4.669 4.669 4.669 . 0 0 "[ ]" 1
1921 1 91 ARG H 1 91 ARG HB2 2.735 . 3.670 2.374 2.374 2.374 . 0 0 "[ ]" 1
1922 1 91 ARG H 1 91 ARG QB 2.625 . 3.450 2.344 2.344 2.344 . 0 0 "[ ]" 1
1923 1 91 ARG H 1 91 ARG HB3 2.735 . 3.670 3.607 3.607 3.607 . 0 0 "[ ]" 1
1924 1 91 ARG H 1 91 ARG HD2 3.400 . 5.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
1925 1 91 ARG H 1 91 ARG HD3 3.400 . 5.000 4.853 4.853 4.853 . 0 0 "[ ]" 1
1926 1 91 ARG H 1 91 ARG HG2 3.350 . 4.900 3.265 3.265 3.265 . 0 0 "[ ]" 1
1927 1 91 ARG H 1 91 ARG QG 3.165 . 4.530 2.521 2.521 2.521 . 0 0 "[ ]" 1
1928 1 91 ARG H 1 91 ARG HG3 3.350 . 4.900 2.623 2.623 2.623 . 0 0 "[ ]" 1
1929 1 91 ARG H 1 92 PHE QD 4.460 . 7.120 5.615 5.615 5.615 . 0 0 "[ ]" 1
1930 1 91 ARG HA 1 91 ARG HD2 3.400 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
1931 1 91 ARG HA 1 91 ARG HD3 3.400 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
1932 1 91 ARG HA 1 91 ARG HG2 2.710 . 3.620 2.216 2.216 2.216 . 0 0 "[ ]" 1
1933 1 91 ARG HA 1 91 ARG QG 2.600 . 3.400 2.183 2.183 2.183 . 0 0 "[ ]" 1
1934 1 91 ARG HA 1 91 ARG HG3 2.710 . 3.620 3.286 3.286 3.286 . 0 0 "[ ]" 1
1935 1 91 ARG HA 1 92 PHE H 2.620 . 3.440 2.345 2.345 2.345 . 0 0 "[ ]" 1
1936 1 91 ARG HA 1 92 PHE QD 4.460 . 7.120 4.316 4.316 4.316 . 0 0 "[ ]" 1
1937 1 91 ARG QB 1 92 PHE H 3.165 . 4.530 2.714 2.714 2.714 . 0 0 "[ ]" 1
1938 1 91 ARG HB2 1 92 PHE H 3.295 . 4.790 3.932 3.932 3.932 . 0 0 "[ ]" 1
1939 1 91 ARG HB3 1 92 PHE H 3.295 . 4.790 2.766 2.766 2.766 . 0 0 "[ ]" 1
1940 1 92 PHE H 1 92 PHE HB2 2.945 . 4.090 2.575 2.575 2.575 . 0 0 "[ ]" 1
1941 1 92 PHE H 1 92 PHE HB3 2.985 . 4.170 3.755 3.755 3.755 . 0 0 "[ ]" 1
1942 1 92 PHE H 1 95 ASP H 3.100 . 4.400 4.470 4.470 4.470 0.070 1 0 "[ ]" 1
1943 1 92 PHE H 1 96 GLY QA 3.710 . 5.620 3.777 3.777 3.777 . 0 0 "[ ]" 1
1944 1 92 PHE H 1 97 ILE H 3.165 . 4.530 3.739 3.739 3.739 . 0 0 "[ ]" 1
1945 1 92 PHE HA 1 93 ILE H 2.570 . 3.340 2.184 2.184 2.184 . 0 0 "[ ]" 1
1946 1 92 PHE HB2 1 95 ASP H 3.190 . 4.580 3.353 3.353 3.353 . 0 0 "[ ]" 1
1947 1 92 PHE HB3 1 95 ASP H 3.295 . 4.790 3.278 3.278 3.278 . 0 0 "[ ]" 1
1948 1 92 PHE QD 1 93 ILE H 4.460 . 7.120 3.632 3.632 3.632 . 0 0 "[ ]" 1
1949 1 92 PHE QD 1 94 ASP H 4.460 . 7.120 4.266 4.266 4.266 . 0 0 "[ ]" 1
1950 1 92 PHE QD 1 95 ASP QB 4.900 . 8.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
1951 1 92 PHE QD 1 96 GLY QA 4.900 . 8.000 6.063 6.063 6.063 . 0 0 "[ ]" 1
1952 1 92 PHE QD 1 97 ILE H 4.460 . 7.120 4.895 4.895 4.895 . 0 0 "[ ]" 1
1953 1 92 PHE QD 1 97 ILE HB 4.460 . 7.120 5.390 5.390 5.390 . 0 0 "[ ]" 1
1954 1 92 PHE QD 1 99 THR MG 4.975 . 8.150 4.633 4.633 4.633 . 0 0 "[ ]" 1
1955 1 92 PHE QE 1 99 THR MG 4.975 . 8.150 2.867 2.867 2.867 . 0 0 "[ ]" 1
1956 1 92 PHE O 1 95 ASP H 2.000 . 2.300 2.074 2.074 2.074 . 0 0 "[ ]" 1
1957 1 92 PHE O 1 95 ASP N 3.000 2.700 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
1958 1 93 ILE HB 1 94 ASP H 3.335 . 4.870 4.150 4.150 4.150 . 0 0 "[ ]" 1
1959 1 93 ILE MD 1 94 ASP H 3.915 . 6.030 4.608 4.608 4.608 . 0 0 "[ ]" 1
1960 1 93 ILE MD 1 94 ASP HA 3.915 . 6.030 4.958 4.958 4.958 . 0 0 "[ ]" 1
1961 1 93 ILE QG 1 94 ASP H 3.840 . 5.880 3.925 3.925 3.925 . 0 0 "[ ]" 1
1962 1 93 ILE QG 1 94 ASP HA 3.840 . 5.880 3.802 3.802 3.802 . 0 0 "[ ]" 1
1963 1 93 ILE MG 1 94 ASP H 3.915 . 6.030 2.402 2.402 2.402 . 0 0 "[ ]" 1
1964 1 93 ILE MG 1 94 ASP HA 3.835 . 5.870 3.254 3.254 3.254 . 0 0 "[ ]" 1
1965 1 94 ASP H 1 95 ASP H 2.660 . 3.520 2.689 2.689 2.689 . 0 0 "[ ]" 1
1966 1 95 ASP H 1 96 GLY H 2.385 . 2.970 1.988 1.988 1.988 . 0 0 "[ ]" 1
1967 1 95 ASP HA 1 96 GLY QA 3.615 . 5.430 4.272 4.272 4.272 . 0 0 "[ ]" 1
1968 1 95 ASP QB 1 96 GLY H 3.160 . 4.520 2.473 2.473 2.473 . 0 0 "[ ]" 1
1969 1 95 ASP QB 1 96 GLY QA 4.105 . 6.410 3.869 3.869 3.869 . 0 0 "[ ]" 1
1970 1 95 ASP QB 1 97 ILE H 3.160 . 4.520 2.364 2.364 2.364 . 0 0 "[ ]" 1
1971 1 95 ASP QB 1 97 ILE MD 4.350 . 6.900 3.845 3.845 3.845 . 0 0 "[ ]" 1
1972 1 96 GLY H 1 97 ILE H 2.570 . 3.340 2.325 2.325 2.325 . 0 0 "[ ]" 1
1973 1 96 GLY H 1 97 ILE QG 3.775 . 5.750 3.796 3.796 3.796 . 0 0 "[ ]" 1
1974 1 96 GLY QA 1 97 ILE HA 3.840 . 5.880 4.036 4.036 4.036 . 0 0 "[ ]" 1
1975 1 96 GLY QA 1 97 ILE MD 4.350 . 6.900 5.079 5.079 5.079 . 0 0 "[ ]" 1
1976 1 96 GLY QA 1 97 ILE HG12 3.840 . 5.880 3.911 3.911 3.911 . 0 0 "[ ]" 1
1977 1 96 GLY QA 1 97 ILE HG13 3.840 . 5.880 4.980 4.980 4.980 . 0 0 "[ ]" 1
1978 1 97 ILE H 1 97 ILE HA 2.345 . 2.890 2.977 2.977 2.977 0.087 1 0 "[ ]" 1
1979 1 97 ILE H 1 97 ILE MD 3.915 . 6.030 3.671 3.671 3.671 . 0 0 "[ ]" 1
1980 1 97 ILE H 1 97 ILE HG12 2.605 . 3.410 1.995 1.995 1.995 . 0 0 "[ ]" 1
1981 1 97 ILE H 1 97 ILE QG 2.475 . 3.150 1.918 1.918 1.918 . 0 0 "[ ]" 1
1982 1 97 ILE H 1 97 ILE HG13 2.605 . 3.410 2.484 2.484 2.484 . 0 0 "[ ]" 1
1983 1 97 ILE H 1 98 SER H 3.400 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
1984 1 97 ILE HA 1 97 ILE HG12 2.905 . 4.010 3.629 3.629 3.629 . 0 0 "[ ]" 1
1985 1 97 ILE HA 1 97 ILE HG13 2.905 . 4.010 3.754 3.754 3.754 . 0 0 "[ ]" 1
1986 1 97 ILE HB 1 98 SER H 2.775 . 3.750 1.987 1.987 1.987 . 0 0 "[ ]" 1
1987 1 97 ILE HB 1 100 ASP QB 3.840 . 5.880 3.569 3.569 3.569 . 0 0 "[ ]" 1
1988 1 97 ILE MD 1 97 ILE MG 3.180 . 4.560 1.717 1.717 1.717 0.083 1 0 "[ ]" 1
1989 1 97 ILE HG12 1 98 SER H 3.400 . 5.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
1990 1 97 ILE HG12 1 100 ASP QB 3.840 . 5.880 5.125 5.125 5.125 . 0 0 "[ ]" 1
1991 1 97 ILE HG13 1 98 SER H 3.400 . 5.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
1992 1 97 ILE HG13 1 100 ASP QB 3.840 . 5.880 4.061 4.061 4.061 . 0 0 "[ ]" 1
1993 1 97 ILE MG 1 98 SER H 3.535 . 5.270 3.298 3.298 3.298 . 0 0 "[ ]" 1
1994 1 98 SER H 1 99 THR H 3.385 . 4.970 4.443 4.443 4.443 . 0 0 "[ ]" 1
1995 1 98 SER QB 1 99 THR H 3.150 . 4.500 1.997 1.997 1.997 . 0 0 "[ ]" 1
1996 1 98 SER QB 1 99 THR HB 3.840 . 5.880 4.376 4.376 4.376 . 0 0 "[ ]" 1
1997 1 98 SER QB 1 100 ASP H 3.385 . 4.970 4.001 4.001 4.001 . 0 0 "[ ]" 1
1998 1 98 SER QB 1 100 ASP QB 4.275 . 6.750 4.214 4.214 4.214 . 0 0 "[ ]" 1
1999 1 99 THR H 1 99 THR HB 2.880 . 3.960 2.673 2.673 2.673 . 0 0 "[ ]" 1
2000 1 99 THR H 1 99 THR MG 3.145 . 4.490 2.107 2.107 2.107 . 0 0 "[ ]" 1
2001 1 99 THR H 1 100 ASP QB 3.840 . 5.880 5.183 5.183 5.183 . 0 0 "[ ]" 1
2002 1 99 THR HB 1 100 ASP H 3.400 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
2003 1 99 THR HB 1 102 GLU QB 3.840 . 5.880 3.939 3.939 3.939 . 0 0 "[ ]" 1
2004 1 99 THR HB 1 102 GLU QG 3.840 . 5.880 4.187 4.187 4.187 . 0 0 "[ ]" 1
2005 1 99 THR MG 1 100 ASP H 3.460 . 5.120 3.992 3.992 3.992 . 0 0 "[ ]" 1
2006 1 99 THR MG 1 100 ASP HA 3.915 . 6.030 4.010 4.010 4.010 . 0 0 "[ ]" 1
2007 1 99 THR MG 1 100 ASP QB 4.350 . 6.900 4.943 4.943 4.943 . 0 0 "[ ]" 1
2008 1 99 THR MG 1 101 GLY H 3.915 . 6.030 3.572 3.572 3.572 . 0 0 "[ ]" 1
2009 1 99 THR MG 1 101 GLY QA 4.350 . 6.900 5.118 5.118 5.118 . 0 0 "[ ]" 1
2010 1 99 THR MG 1 102 GLU H 3.915 . 6.030 4.359 4.359 4.359 . 0 0 "[ ]" 1
2011 1 99 THR MG 1 102 GLU QB 4.355 . 6.910 2.816 2.816 2.816 . 0 0 "[ ]" 1
2012 1 99 THR MG 1 102 GLU QG 4.350 . 6.900 1.947 1.947 1.947 . 0 0 "[ ]" 1
2013 1 100 ASP H 1 100 ASP QB 2.745 . 3.690 2.255 2.255 2.255 . 0 0 "[ ]" 1
2014 1 100 ASP HA 1 101 GLY QA 3.655 . 5.510 4.000 4.000 4.000 . 0 0 "[ ]" 1
2015 1 100 ASP QB 1 101 GLY QA 4.275 . 6.750 4.216 4.216 4.216 . 0 0 "[ ]" 1
2016 1 101 GLY QA 1 102 GLU HA 3.710 . 5.620 4.017 4.017 4.017 . 0 0 "[ ]" 1
2017 1 101 GLY QA 1 102 GLU QB 4.280 . 6.760 4.383 4.383 4.383 . 0 0 "[ ]" 1
2018 1 101 GLY QA 1 102 GLU QG 4.275 . 6.750 3.999 3.999 3.999 . 0 0 "[ ]" 1
2019 1 102 GLU QG 1 103 MET H 3.840 . 5.880 4.158 4.158 4.158 . 0 0 "[ ]" 1
2020 1 103 MET H 1 103 MET HA 2.360 . 2.920 2.973 2.973 2.973 0.053 1 0 "[ ]" 1
2021 1 103 MET H 1 103 MET HG2 3.255 . 4.710 4.457 4.457 4.457 . 0 0 "[ ]" 1
2022 1 103 MET H 1 103 MET HG3 3.255 . 4.710 3.167 3.167 3.167 . 0 0 "[ ]" 1
2023 1 103 MET H 1 104 GLY QA 3.500 . 5.200 4.615 4.615 4.615 . 0 0 "[ ]" 1
2024 1 103 MET HA 1 103 MET QG 2.905 . 4.010 2.398 2.398 2.398 . 0 0 "[ ]" 1
2025 1 103 MET HA 1 104 GLY QA 3.840 . 5.880 3.987 3.987 3.987 . 0 0 "[ ]" 1
2026 1 104 GLY H 1 105 LYS H 2.595 . 3.390 3.306 3.306 3.306 . 0 0 "[ ]" 1
2027 1 105 LYS H 1 105 LYS QB 2.780 . 3.760 2.373 2.373 2.373 . 0 0 "[ ]" 1
2028 1 105 LYS H 1 105 LYS QD 3.840 . 5.880 3.657 3.657 3.657 . 0 0 "[ ]" 1
2029 1 105 LYS H 1 105 LYS QE 3.840 . 5.880 4.863 4.863 4.863 . 0 0 "[ ]" 1
2030 1 105 LYS H 1 105 LYS QG 3.840 . 5.880 2.312 2.312 2.312 . 0 0 "[ ]" 1
2031 1 105 LYS HA 1 105 LYS QD 3.355 . 4.910 4.141 4.141 4.141 . 0 0 "[ ]" 1
2032 1 105 LYS HA 1 105 LYS QE 3.840 . 5.880 3.877 3.877 3.877 . 0 0 "[ ]" 1
2033 1 105 LYS QB 1 105 LYS QE 3.245 . 4.690 2.138 2.138 2.138 . 0 0 "[ ]" 1
2034 1 105 LYS HB2 1 105 LYS QD 2.540 . 3.280 2.320 2.320 2.320 . 0 0 "[ ]" 1
2035 1 105 LYS HB2 1 105 LYS QE 3.540 . 5.280 3.262 3.262 3.262 . 0 0 "[ ]" 1
2036 1 105 LYS HB3 1 105 LYS QD 2.540 . 3.280 2.885 2.885 2.885 . 0 0 "[ ]" 1
2037 1 105 LYS HB3 1 105 LYS QE 3.540 . 5.280 2.167 2.167 2.167 . 0 0 "[ ]" 1
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