NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441442 |
2kb3   |
16038 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kb3
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 976
_Distance_constraint_stats_list.Viol_count 1604
_Distance_constraint_stats_list.Viol_total 1742.010
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 4 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 THR 0.009 0.009 14 0 "[ . 1 . 2 . 3]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.388 0.064 3 0 "[ . 1 . 2 . 3]"
1 10 PRO 0.547 0.069 6 0 "[ . 1 . 2 . 3]"
1 11 GLN 0.185 0.069 6 0 "[ . 1 . 2 . 3]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 GLU 0.262 0.065 11 0 "[ . 1 . 2 . 3]"
1 14 THR 0.070 0.040 19 0 "[ . 1 . 2 . 3]"
1 16 SER 0.050 0.024 26 0 "[ . 1 . 2 . 3]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 PHE 0.360 0.084 19 0 "[ . 1 . 2 . 3]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 ALA 0.857 0.193 11 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.881 0.193 11 0 "[ . 1 . 2 . 3]"
1 22 LEU 0.727 0.173 24 0 "[ . 1 . 2 . 3]"
1 23 LEU 1.425 0.092 18 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.215 0.063 15 0 "[ . 1 . 2 . 3]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 MET 0.004 0.004 6 0 "[ . 1 . 2 . 3]"
1 27 GLU 0.083 0.035 2 0 "[ . 1 . 2 . 3]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 THR 0.236 0.081 14 0 "[ . 1 . 2 . 3]"
1 38 GLY 1.303 0.208 13 0 "[ . 1 . 2 . 3]"
1 39 ALA 1.067 0.208 13 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.729 0.197 11 0 "[ . 1 . 2 . 3]"
1 41 ASN 2.468 0.197 11 0 "[ . 1 . 2 . 3]"
1 42 LEU 2.299 0.142 19 0 "[ . 1 . 2 . 3]"
1 43 PRO 1.253 0.143 28 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.607 0.143 28 0 "[ . 1 . 2 . 3]"
1 45 GLY 0.346 0.073 28 0 "[ . 1 . 2 . 3]"
1 46 SER 0.646 0.089 28 0 "[ . 1 . 2 . 3]"
1 47 ALA 1.018 0.089 28 0 "[ . 1 . 2 . 3]"
1 48 LEU 1.146 0.082 7 0 "[ . 1 . 2 . 3]"
1 49 LEU 0.441 0.067 20 0 "[ . 1 . 2 . 3]"
1 50 VAL 0.284 0.048 14 0 "[ . 1 . 2 . 3]"
1 51 VAL 1.974 0.088 3 0 "[ . 1 . 2 . 3]"
1 52 LYS 0.125 0.056 3 0 "[ . 1 . 2 . 3]"
1 53 ARG 1.828 0.088 3 0 "[ . 1 . 2 . 3]"
1 54 GLY 0.301 0.078 25 0 "[ . 1 . 2 . 3]"
1 55 PRO 0.092 0.037 4 0 "[ . 1 . 2 . 3]"
1 56 ASN 3.320 0.172 10 0 "[ . 1 . 2 . 3]"
1 57 ALA 1.053 0.082 10 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ALA 0.548 0.082 10 0 "[ . 1 . 2 . 3]"
1 60 ARG 0.023 0.012 4 0 "[ . 1 . 2 . 3]"
1 61 PHE 0.276 0.069 18 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.252 0.049 17 0 "[ . 1 . 2 . 3]"
1 63 LEU 0.505 0.062 13 0 "[ . 1 . 2 . 3]"
1 64 ASP 0.173 0.110 25 0 "[ . 1 . 2 . 3]"
1 65 GLN 2.916 0.238 10 0 "[ . 1 . 2 . 3]"
1 66 PRO 0.164 0.044 20 0 "[ . 1 . 2 . 3]"
1 67 THR 3.033 0.238 10 0 "[ . 1 . 2 . 3]"
1 68 THR 1.651 0.112 9 0 "[ . 1 . 2 . 3]"
1 69 THR 0.331 0.066 6 0 "[ . 1 . 2 . 3]"
1 70 ALA 1.749 0.090 25 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.056 0.042 25 0 "[ . 1 . 2 . 3]"
1 72 ARG 0.584 0.087 29 0 "[ . 1 . 2 . 3]"
1 73 HIS 1.191 0.144 1 0 "[ . 1 . 2 . 3]"
1 74 PRO 0.480 0.065 1 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.097 0.042 3 0 "[ . 1 . 2 . 3]"
1 76 SER 0.363 0.065 1 0 "[ . 1 . 2 . 3]"
1 77 ASP 0.196 0.066 6 0 "[ . 1 . 2 . 3]"
1 78 ILE 0.221 0.069 18 0 "[ . 1 . 2 . 3]"
1 79 PHE 0.056 0.042 25 0 "[ . 1 . 2 . 3]"
1 80 LEU 3.342 0.172 10 0 "[ . 1 . 2 . 3]"
1 81 ASP 0.563 0.076 30 0 "[ . 1 . 2 . 3]"
1 82 ASP 0.152 0.046 11 0 "[ . 1 . 2 . 3]"
1 83 VAL 0.027 0.027 20 0 "[ . 1 . 2 . 3]"
1 84 THR 0.120 0.042 9 0 "[ . 1 . 2 . 3]"
1 85 VAL 0.176 0.051 27 0 "[ . 1 . 2 . 3]"
1 86 SER 0.172 0.084 19 0 "[ . 1 . 2 . 3]"
1 87 ARG 0.293 0.057 17 0 "[ . 1 . 2 . 3]"
1 88 ARG 0.246 0.057 17 0 "[ . 1 . 2 . 3]"
1 89 HIS 1.951 0.129 17 0 "[ . 1 . 2 . 3]"
1 90 ALA 2.191 0.095 17 0 "[ . 1 . 2 . 3]"
1 91 GLU 1.142 0.101 28 0 "[ . 1 . 2 . 3]"
1 92 PHE 1.779 0.073 14 0 "[ . 1 . 2 . 3]"
1 93 ARG 1.867 0.120 3 0 "[ . 1 . 2 . 3]"
1 94 ILE 1.778 0.086 24 0 "[ . 1 . 2 . 3]"
1 95 ASN 0.427 0.040 25 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.236 0.030 13 0 "[ . 1 . 2 . 3]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 GLU 1.925 0.118 22 0 "[ . 1 . 2 . 3]"
1 99 PHE 1.129 0.068 2 0 "[ . 1 . 2 . 3]"
1 100 GLU 1.127 0.061 21 0 "[ . 1 . 2 . 3]"
1 101 VAL 1.369 0.117 1 0 "[ . 1 . 2 . 3]"
1 102 VAL 2.358 0.102 8 0 "[ . 1 . 2 . 3]"
1 103 ASP 1.274 0.095 17 0 "[ . 1 . 2 . 3]"
1 104 VAL 0.430 0.101 28 0 "[ . 1 . 2 . 3]"
1 105 GLY 0.002 0.002 6 0 "[ . 1 . 2 . 3]"
1 106 SER 0.002 0.002 6 0 "[ . 1 . 2 . 3]"
1 107 LEU 0.115 0.024 26 0 "[ . 1 . 2 . 3]"
1 108 ASN 0.031 0.022 14 0 "[ . 1 . 2 . 3]"
1 109 GLY 0.615 0.129 17 0 "[ . 1 . 2 . 3]"
1 110 THR 0.994 0.083 21 0 "[ . 1 . 2 . 3]"
1 111 TYR 1.350 0.082 9 0 "[ . 1 . 2 . 3]"
1 112 VAL 1.077 0.090 9 0 "[ . 1 . 2 . 3]"
1 113 ASN 0.628 0.149 6 0 "[ . 1 . 2 . 3]"
1 114 ARG 1.699 0.251 22 0 "[ . 1 . 2 . 3]"
1 115 GLU 0.687 0.064 8 0 "[ . 1 . 2 . 3]"
1 116 PRO 0.311 0.047 24 0 "[ . 1 . 2 . 3]"
1 117 ARG 1.186 0.140 19 0 "[ . 1 . 2 . 3]"
1 118 ASN 1.388 0.096 19 0 "[ . 1 . 2 . 3]"
1 119 ALA 1.913 0.140 19 0 "[ . 1 . 2 . 3]"
1 120 GLN 3.230 0.235 7 0 "[ . 1 . 2 . 3]"
1 121 VAL 1.683 0.235 7 0 "[ . 1 . 2 . 3]"
1 122 MET 0.881 0.167 15 0 "[ . 1 . 2 . 3]"
1 123 GLN 0.379 0.096 12 0 "[ . 1 . 2 . 3]"
1 124 THR 0.701 0.164 17 0 "[ . 1 . 2 . 3]"
1 125 GLY 0.050 0.050 24 0 "[ . 1 . 2 . 3]"
1 126 ASP 0.247 0.077 21 0 "[ . 1 . 2 . 3]"
1 127 GLU 1.110 0.149 6 0 "[ . 1 . 2 . 3]"
1 128 ILE 2.165 0.090 9 0 "[ . 1 . 2 . 3]"
1 129 GLN 1.031 0.076 3 0 "[ . 1 . 2 . 3]"
1 130 ILE 0.262 0.052 27 0 "[ . 1 . 2 . 3]"
1 131 GLY 0.551 0.123 22 0 "[ . 1 . 2 . 3]"
1 132 LYS 0.300 0.068 24 0 "[ . 1 . 2 . 3]"
1 133 PHE 1.715 0.076 30 0 "[ . 1 . 2 . 3]"
1 134 ARG 0.092 0.031 15 0 "[ . 1 . 2 . 3]"
1 135 LEU 1.596 0.075 3 0 "[ . 1 . 2 . 3]"
1 136 VAL 1.258 0.119 26 0 "[ . 1 . 2 . 3]"
1 137 PHE 0.140 0.059 5 0 "[ . 1 . 2 . 3]"
1 138 LEU 0.370 0.070 2 0 "[ . 1 . 2 . 3]"
1 139 ALA 0.451 0.070 2 0 "[ . 1 . 2 . 3]"
1 140 GLY 0.232 0.072 4 0 "[ . 1 . 2 . 3]"
1 141 PRO 0.862 0.080 7 0 "[ . 1 . 2 . 3]"
1 142 ALA 1.664 0.160 26 0 "[ . 1 . 2 . 3]"
1 143 GLU 2.392 0.160 26 0 "[ . 1 . 2 . 3]"
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 4 ASN HA 1 5 ASN H 3.530 . 3.530 2.215 1.941 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 7 THR H 1 7 THR HB 3.700 . 3.700 2.829 2.469 3.709 0.009 14 0 "[ . 1 . 2 . 3]" 1
3 1 8 PRO HA 1 9 GLU H 2.690 . 2.690 2.216 2.108 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 9 GLU H 1 9 GLU HB2 3.840 . 3.840 2.773 2.310 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 9 GLU H 1 9 GLU QB 3.850 . 3.850 2.511 2.282 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 9 GLU H 1 9 GLU HB3 3.840 . 3.840 3.417 2.724 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 9 GLU H 1 9 GLU QG 4.380 . 4.380 2.489 1.808 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 9 GLU H 1 10 PRO HD2 5.050 . 5.050 4.937 4.674 5.106 0.056 26 0 "[ . 1 . 2 . 3]" 1
9 1 9 GLU H 1 10 PRO QD 5.250 . 5.250 4.253 3.841 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 9 GLU H 1 10 PRO HD3 5.050 . 5.050 4.678 3.980 5.114 0.064 3 0 "[ . 1 . 2 . 3]" 1
11 1 10 PRO HA 1 11 GLN H 2.730 . 2.730 2.222 2.008 2.732 0.002 22 0 "[ . 1 . 2 . 3]" 1
12 1 10 PRO QB 1 11 GLN H 4.500 . 4.500 3.092 1.831 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 10 PRO HB2 1 11 GLN H 4.160 . 4.160 3.385 1.841 4.182 0.022 17 0 "[ . 1 . 2 . 3]" 1
14 1 10 PRO HB3 1 11 GLN H 4.160 . 4.160 3.724 2.559 4.229 0.069 6 0 "[ . 1 . 2 . 3]" 1
15 1 11 GLN H 1 11 GLN HB2 3.870 . 3.870 2.721 2.342 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 11 GLN H 1 11 GLN HB3 3.870 . 3.870 3.430 2.355 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 11 GLN H 1 11 GLN HG2 4.780 . 4.780 3.428 1.796 4.653 0.004 2 0 "[ . 1 . 2 . 3]" 1
18 1 11 GLN H 1 11 GLN QG 4.940 . 4.940 2.826 1.787 4.133 0.013 2 0 "[ . 1 . 2 . 3]" 1
19 1 11 GLN H 1 11 GLN HG3 4.780 . 4.780 3.415 2.388 4.789 0.009 23 0 "[ . 1 . 2 . 3]" 1
20 1 11 GLN H 1 12 VAL H 4.790 . 4.790 4.432 4.009 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 11 GLN HA 1 12 VAL H 2.660 . 2.660 2.292 2.060 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 11 GLN QB 1 12 VAL H 4.300 . 4.300 2.869 2.310 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 11 GLN QG 1 12 VAL H 5.670 . 5.670 3.929 2.136 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 11 GLN HG2 1 12 VAL H 5.500 . 5.500 4.398 2.188 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 11 GLN HG3 1 12 VAL H 5.500 . 5.500 4.589 2.931 5.328 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 12 VAL H 1 12 VAL HB 3.610 . 3.610 2.634 2.526 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 12 VAL H 1 12 VAL QG 4.100 . 4.100 2.564 2.413 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 12 VAL H 1 13 GLU H 4.480 . 4.480 4.285 4.080 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 12 VAL HA 1 13 GLU H 2.860 . 2.860 2.110 2.035 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 13 GLU H 1 13 GLU HB2 3.720 . 3.720 3.058 2.455 3.755 0.035 16 0 "[ . 1 . 2 . 3]" 1
31 1 13 GLU H 1 13 GLU HB3 3.720 . 3.720 3.070 2.596 3.785 0.065 11 0 "[ . 1 . 2 . 3]" 1
32 1 13 GLU H 1 14 THR H 4.550 . 4.550 4.250 4.009 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 13 GLU HA 1 14 THR H 2.820 . 2.820 2.325 2.093 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 13 GLU QB 1 14 THR H 4.500 . 4.500 3.152 2.152 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 13 GLU HB2 1 14 THR H 4.280 . 4.280 3.887 2.584 4.320 0.040 19 0 "[ . 1 . 2 . 3]" 1
36 1 13 GLU HB3 1 14 THR H 4.280 . 4.280 3.442 2.169 4.289 0.009 22 0 "[ . 1 . 2 . 3]" 1
37 1 13 GLU QG 1 14 THR H 4.830 . 4.830 3.024 2.091 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 14 THR H 1 14 THR HB 3.310 . 3.310 2.568 2.403 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 16 SER H 1 16 SER HB2 3.790 . 3.790 2.613 2.390 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 16 SER H 1 16 SER HB3 3.790 . 3.790 3.176 2.363 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 16 SER H 1 107 LEU QD 6.480 . 6.480 4.137 1.776 6.490 0.024 26 0 "[ . 1 . 2 . 3]" 1
42 1 16 SER HA 1 17 VAL H 2.810 . 2.810 2.289 2.143 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 16 SER QB 1 17 VAL H 4.670 . 4.670 3.158 2.706 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 16 SER HB2 1 17 VAL H 4.610 . 4.610 3.968 2.835 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 16 SER HB3 1 17 VAL H 4.610 . 4.610 3.386 2.769 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 17 VAL H 1 17 VAL HB 3.020 . 3.020 2.543 2.475 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 17 VAL H 1 18 PHE H 4.730 . 4.730 4.364 4.242 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 17 VAL H 1 107 LEU QD 7.020 . 7.020 4.687 3.362 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 17 VAL HA 1 18 PHE H 3.180 . 3.180 2.131 2.066 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 17 VAL HB 1 18 PHE H 4.660 . 4.660 4.235 4.064 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 17 VAL QG 1 18 PHE H 5.550 . 5.550 2.859 2.515 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 17 VAL QG 1 106 SER H 7.620 . 7.620 6.104 3.769 7.472 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 17 VAL MG1 1 18 PHE H 5.170 . 5.170 2.915 2.541 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 17 VAL MG2 1 18 PHE H 5.170 . 5.170 4.148 4.001 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 18 PHE H 1 19 ARG H 4.820 . 4.820 4.335 4.098 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 18 PHE HA 1 19 ARG H 3.150 . 3.150 2.136 1.991 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 18 PHE QD 1 19 ARG H 6.460 . 6.460 3.961 3.287 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 18 PHE QD 1 20 ALA H 7.180 . 7.180 4.168 2.764 6.562 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 18 PHE QD 1 131 GLY H 7.620 . 7.620 6.767 5.412 7.660 0.040 30 0 "[ . 1 . 2 . 3]" 1
60 1 18 PHE QE 1 85 VAL H 6.920 . 6.920 6.059 3.447 6.971 0.051 27 0 "[ . 1 . 2 . 3]" 1
61 1 18 PHE QE 1 86 SER QB 7.800 . 7.800 5.881 3.778 7.884 0.084 19 0 "[ . 1 . 2 . 3]" 1
62 1 18 PHE QE 1 131 GLY QA 7.000 . 7.000 3.746 2.179 5.867 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 19 ARG HA 1 20 ALA H 3.120 . 3.120 2.129 1.940 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 19 ARG QB 1 20 ALA H 4.850 . 4.850 3.497 2.782 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 19 ARG HB2 1 20 ALA H 4.690 . 4.690 4.068 2.951 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 19 ARG HB3 1 20 ALA H 4.690 . 4.690 3.967 2.835 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 20 ALA H 1 21 ASP H 4.490 . 4.490 4.030 1.737 4.514 0.063 9 0 "[ . 1 . 2 . 3]" 1
68 1 20 ALA HA 1 21 ASP H 3.170 . 3.170 2.645 2.130 3.363 0.193 11 0 "[ . 1 . 2 . 3]" 1
69 1 20 ALA MB 1 21 ASP H 4.490 . 4.490 2.316 1.770 3.701 0.030 6 0 "[ . 1 . 2 . 3]" 1
70 1 21 ASP H 1 21 ASP HB2 3.790 . 3.790 3.009 2.314 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 21 ASP H 1 21 ASP HB3 3.790 . 3.790 2.735 2.396 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 21 ASP H 1 22 LEU H 3.860 . 3.860 2.604 2.164 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 21 ASP H 1 22 LEU QB 5.390 . 5.390 4.627 4.160 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 21 ASP HA 1 22 LEU H 3.450 . 3.450 3.261 3.095 3.469 0.019 3 0 "[ . 1 . 2 . 3]" 1
75 1 21 ASP HA 1 23 LEU H 4.300 . 4.300 3.556 3.281 4.305 0.005 4 0 "[ . 1 . 2 . 3]" 1
76 1 21 ASP HB2 1 22 LEU H 4.640 . 4.640 4.096 3.259 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 21 ASP HB3 1 22 LEU H 4.640 . 4.640 3.901 2.681 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 22 LEU H 1 22 LEU MD1 5.280 . 5.280 3.285 1.829 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 22 LEU H 1 22 LEU MD2 5.280 . 5.280 3.225 1.740 3.996 0.060 12 0 "[ . 1 . 2 . 3]" 1
80 1 22 LEU H 1 22 LEU HG 3.490 . 3.490 2.421 1.819 3.663 0.173 24 0 "[ . 1 . 2 . 3]" 1
81 1 22 LEU QD 1 23 LEU H 6.670 . 6.670 2.880 1.902 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 22 LEU QD 1 111 TYR QE 8.660 . 8.660 2.532 1.915 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 22 LEU QD 1 114 ARG HA 6.930 . 6.930 6.030 3.270 7.022 0.092 25 0 "[ . 1 . 2 . 3]" 1
84 1 23 LEU H 1 23 LEU HB2 3.500 . 3.500 2.981 2.165 3.592 0.092 18 0 "[ . 1 . 2 . 3]" 1
85 1 23 LEU H 1 23 LEU QB 3.770 . 3.770 2.449 2.084 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 23 LEU H 1 23 LEU HB3 3.500 . 3.500 2.847 2.453 3.574 0.074 8 0 "[ . 1 . 2 . 3]" 1
87 1 23 LEU H 1 23 LEU MD1 5.290 . 5.290 3.633 2.611 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 23 LEU H 1 23 LEU MD2 5.290 . 5.290 3.440 1.825 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 23 LEU H 1 24 LYS H 3.630 . 3.630 2.555 2.316 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 23 LEU QB 1 24 LYS H 5.080 . 5.080 3.180 2.392 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 23 LEU QD 1 24 LYS H 6.330 . 6.330 3.243 2.065 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 23 LEU HG 1 24 LYS H 4.780 . 4.780 3.894 2.732 4.843 0.063 15 0 "[ . 1 . 2 . 3]" 1
93 1 24 LYS H 1 24 LYS HA 2.900 . 2.900 2.862 2.750 2.934 0.034 27 0 "[ . 1 . 2 . 3]" 1
94 1 24 LYS H 1 24 LYS HG2 5.100 . 5.100 3.791 2.154 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 24 LYS H 1 24 LYS HG3 5.100 . 5.100 3.618 2.119 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 24 LYS H 1 25 GLU H 3.870 . 3.870 2.387 2.031 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 24 LYS QB 1 25 GLU H 5.000 . 5.000 2.781 2.303 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 25 GLU H 1 25 GLU HB2 3.850 . 3.850 2.532 2.119 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 25 GLU H 1 25 GLU HB3 3.850 . 3.850 2.923 2.162 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 25 GLU H 1 25 GLU HG2 5.180 . 5.180 3.790 2.164 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 25 GLU H 1 25 GLU HG3 5.180 . 5.180 4.110 1.940 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 25 GLU QG 1 26 MET H 5.780 . 5.780 3.977 2.187 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 26 MET H 1 26 MET HB2 3.800 . 3.800 2.962 2.390 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 26 MET H 1 26 MET HB3 3.800 . 3.800 2.669 2.350 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 26 MET H 1 26 MET ME 5.170 . 5.170 4.127 3.166 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 26 MET H 1 26 MET HG2 5.130 . 5.130 3.682 2.104 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 26 MET H 1 26 MET HG3 5.130 . 5.130 3.804 2.141 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 26 MET HA 1 27 GLU H 3.580 . 3.580 3.463 3.221 3.584 0.004 6 0 "[ . 1 . 2 . 3]" 1
109 1 27 GLU H 1 27 GLU HB2 3.640 . 3.640 2.640 2.320 3.675 0.035 2 0 "[ . 1 . 2 . 3]" 1
110 1 27 GLU H 1 27 GLU HB3 3.640 . 3.640 2.938 2.367 3.660 0.020 6 0 "[ . 1 . 2 . 3]" 1
111 1 27 GLU H 1 27 GLU HG2 5.360 . 5.360 3.709 2.062 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 27 GLU H 1 27 GLU HG3 5.360 . 5.360 3.770 1.872 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 27 GLU HA 1 28 SER H 3.610 . 3.610 3.500 3.255 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 32 THR HA 1 33 ALA H 3.200 . 3.200 2.198 2.067 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 32 THR HB 1 33 ALA H 4.410 . 4.410 4.023 3.044 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 32 THR MG 1 33 ALA H 5.430 . 5.430 3.168 2.321 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 34 PRO HA 1 35 ALA H 3.050 . 3.050 2.221 2.114 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 35 ALA HA 1 36 SER H 3.310 . 3.310 2.274 2.117 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 35 ALA MB 1 36 SER H 4.850 . 4.850 2.764 2.274 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 36 SER HA 1 37 THR H 3.490 . 3.490 2.354 2.063 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 37 THR H 1 38 GLY H 4.570 . 4.570 3.630 1.899 4.583 0.013 28 0 "[ . 1 . 2 . 3]" 1
122 1 37 THR HA 1 38 GLY H 3.440 . 3.440 2.711 2.166 3.521 0.081 14 0 "[ . 1 . 2 . 3]" 1
123 1 37 THR MG 1 38 GLY H 5.290 . 5.290 3.369 2.096 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 38 GLY H 1 39 ALA H 3.740 . 3.740 2.420 1.787 3.948 0.208 13 0 "[ . 1 . 2 . 3]" 1
125 1 38 GLY H 1 39 ALA HA 4.590 . 4.590 4.484 3.421 4.681 0.091 22 0 "[ . 1 . 2 . 3]" 1
126 1 39 ALA H 1 40 GLU H 3.350 . 3.350 2.347 1.995 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 39 ALA MB 1 40 GLU H 4.530 . 4.530 2.770 2.354 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 39 ALA MB 1 41 ASN H 5.420 . 5.420 4.202 4.002 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 40 GLU H 1 40 GLU QG 4.230 . 4.230 2.273 1.788 3.289 0.012 13 0 "[ . 1 . 2 . 3]" 1
130 1 40 GLU H 1 41 ASN H 3.680 . 3.680 2.560 2.189 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 40 GLU HA 1 41 ASN H 3.630 . 3.630 3.236 3.017 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 40 GLU QB 1 41 ASN H 5.060 . 5.060 3.723 2.885 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 40 GLU HB2 1 41 ASN H 4.830 . 4.830 4.081 2.948 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 40 GLU HB3 1 41 ASN H 4.830 . 4.830 4.345 3.932 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 40 GLU QG 1 41 ASN H 5.040 . 5.040 3.334 2.616 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 40 GLU HG2 1 41 ASN H 4.890 . 4.890 3.770 2.951 5.087 0.197 11 0 "[ . 1 . 2 . 3]" 1
137 1 40 GLU HG3 1 41 ASN H 4.890 . 4.890 4.009 2.923 4.920 0.030 17 0 "[ . 1 . 2 . 3]" 1
138 1 41 ASN H 1 41 ASN HB2 3.970 . 3.970 2.695 2.197 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 41 ASN H 1 41 ASN HB3 3.970 . 3.970 3.136 2.368 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 41 ASN H 1 42 LEU H 3.630 . 3.630 2.192 1.972 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 41 ASN H 1 42 LEU QB 4.800 . 4.800 4.858 4.794 4.942 0.142 19 0 "[ . 1 . 2 . 3]" 1
142 1 41 ASN H 1 42 LEU QD 6.870 . 6.870 3.829 2.879 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 41 ASN HB2 1 42 LEU H 4.570 . 4.570 3.475 2.548 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 41 ASN HB3 1 42 LEU H 4.570 . 4.570 3.536 2.498 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 42 LEU H 1 42 LEU QB 3.250 . 3.250 3.197 2.719 3.306 0.056 4 0 "[ . 1 . 2 . 3]" 1
146 1 42 LEU H 1 42 LEU MD1 5.170 . 5.170 3.712 2.181 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 42 LEU H 1 42 LEU MD2 5.170 . 5.170 2.733 2.075 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 42 LEU H 1 42 LEU HG 4.820 . 4.820 3.777 2.659 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 42 LEU H 1 43 PRO QD 5.170 . 5.170 2.754 2.471 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 42 LEU H 1 43 PRO HG2 5.500 . 5.500 5.420 5.171 5.566 0.066 14 0 "[ . 1 . 2 . 3]" 1
151 1 42 LEU H 1 43 PRO HG3 5.500 . 5.500 5.041 4.261 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 42 LEU QD 1 46 SER H 6.530 . 6.530 4.782 3.167 5.716 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 43 PRO HA 1 45 GLY H 4.890 . 4.890 4.418 3.917 4.963 0.073 28 0 "[ . 1 . 2 . 3]" 1
154 1 43 PRO QB 1 44 ALA H 4.020 . 4.020 2.358 1.808 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 43 PRO HB2 1 44 ALA H 3.790 . 3.790 2.391 1.815 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 43 PRO HB3 1 44 ALA H 3.790 . 3.790 3.698 3.418 3.933 0.143 28 0 "[ . 1 . 2 . 3]" 1
157 1 43 PRO HD2 1 44 ALA H 4.380 . 4.380 3.162 2.125 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 43 PRO HD3 1 44 ALA H 4.380 . 4.380 4.144 3.635 4.480 0.100 30 0 "[ . 1 . 2 . 3]" 1
159 1 43 PRO QG 1 44 ALA H 3.600 . 3.600 2.290 1.916 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 43 PRO QG 1 45 GLY H 4.140 . 4.140 3.911 2.710 4.203 0.063 16 0 "[ . 1 . 2 . 3]" 1
161 1 43 PRO QG 1 46 SER H 5.270 . 5.270 4.746 3.342 5.306 0.036 27 0 "[ . 1 . 2 . 3]" 1
162 1 44 ALA H 1 45 GLY H 4.190 . 4.190 2.284 1.751 2.656 0.049 28 0 "[ . 1 . 2 . 3]" 1
163 1 44 ALA MB 1 45 GLY H 4.230 . 4.230 3.186 2.748 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 44 ALA MB 1 46 SER H 4.950 . 4.950 2.621 2.259 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 44 ALA MB 1 143 GLU H 5.430 . 5.430 4.260 3.135 5.447 0.017 7 0 "[ . 1 . 2 . 3]" 1
166 1 45 GLY H 1 46 SER H 3.210 . 3.210 2.551 2.201 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 46 SER H 1 46 SER HB2 4.180 . 4.180 2.796 2.549 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 46 SER H 1 46 SER HB3 4.180 . 4.180 3.611 2.531 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 46 SER H 1 47 ALA H 4.530 . 4.530 4.367 4.248 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 46 SER H 1 47 ALA MB 5.610 . 5.610 4.616 4.258 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 46 SER HA 1 47 ALA H 3.160 . 3.160 2.427 2.261 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 46 SER HB2 1 47 ALA H 3.640 . 3.640 3.527 2.427 3.729 0.089 28 0 "[ . 1 . 2 . 3]" 1
173 1 46 SER HB3 1 47 ALA H 3.640 . 3.640 2.790 2.407 3.679 0.039 2 0 "[ . 1 . 2 . 3]" 1
174 1 47 ALA H 1 48 LEU H 4.460 . 4.460 4.336 4.261 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 47 ALA H 1 48 LEU QD 7.170 . 7.170 5.008 4.445 5.643 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 47 ALA H 1 62 LEU HA 5.500 . 5.500 4.801 4.409 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 47 ALA H 1 62 LEU QD 7.570 . 7.570 3.981 2.711 5.617 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 47 ALA H 1 63 LEU H 3.970 . 3.970 3.372 2.976 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 47 ALA H 1 63 LEU QB 4.010 . 4.010 3.295 2.695 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 47 ALA H 1 63 LEU QD 6.250 . 6.250 4.079 3.429 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 47 ALA H 1 99 PHE QD 6.120 . 6.120 5.324 4.585 6.132 0.012 18 0 "[ . 1 . 2 . 3]" 1
182 1 47 ALA H 1 99 PHE QE 6.710 . 6.710 3.503 2.781 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 47 ALA HA 1 48 LEU H 3.070 . 3.070 2.367 2.252 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 47 ALA HA 1 140 GLY H 3.480 . 3.480 2.297 1.815 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 47 ALA MB 1 48 LEU H 4.250 . 4.250 2.527 2.422 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 47 ALA MB 1 63 LEU H 6.030 . 6.030 4.113 3.495 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 47 ALA MB 1 140 GLY H 4.630 . 4.630 3.383 2.396 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 47 ALA O 1 63 LEU H 2.300 . 2.300 1.859 1.738 2.187 0.062 13 0 "[ . 1 . 2 . 3]" 1
189 1 47 ALA O 1 63 LEU N 3.300 . 3.300 2.821 2.699 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 48 LEU H 1 48 LEU HB2 3.970 . 3.970 3.858 3.778 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 48 LEU H 1 48 LEU HB3 3.970 . 3.970 3.318 3.207 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 48 LEU H 1 48 LEU MD1 4.480 . 4.480 2.452 1.805 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 48 LEU H 1 48 LEU QD 4.940 . 4.940 2.324 1.793 3.141 0.007 11 0 "[ . 1 . 2 . 3]" 1
194 1 48 LEU H 1 48 LEU MD2 4.480 . 4.480 3.539 1.840 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 48 LEU H 1 48 LEU HG 4.110 . 4.110 3.395 2.290 4.192 0.082 7 0 "[ . 1 . 2 . 3]" 1
196 1 48 LEU H 1 62 LEU HA 4.800 . 4.800 4.613 4.337 4.822 0.022 2 0 "[ . 1 . 2 . 3]" 1
197 1 48 LEU H 1 63 LEU H 5.420 . 5.420 4.740 4.517 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 48 LEU H 1 137 PHE QD 7.200 . 7.200 4.840 3.887 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 48 LEU H 1 137 PHE QE 6.670 . 6.670 4.552 3.124 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 48 LEU H 1 138 LEU H 4.050 . 4.050 3.376 3.070 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 48 LEU H 1 138 LEU O 2.300 . 2.300 1.919 1.756 2.292 0.044 28 0 "[ . 1 . 2 . 3]" 1
202 1 48 LEU H 1 139 ALA HA 3.950 . 3.950 3.325 2.973 3.977 0.027 26 0 "[ . 1 . 2 . 3]" 1
203 1 48 LEU H 1 140 GLY H 4.170 . 4.170 3.758 3.174 4.242 0.072 4 0 "[ . 1 . 2 . 3]" 1
204 1 48 LEU HA 1 49 LEU H 2.930 . 2.930 2.251 2.102 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 48 LEU HA 1 62 LEU HA 2.400 . 2.400 2.167 1.900 2.449 0.049 17 0 "[ . 1 . 2 . 3]" 1
206 1 48 LEU HA 1 63 LEU H 3.930 . 3.930 2.779 2.347 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 48 LEU QB 1 49 LEU H 4.050 . 4.050 2.633 2.396 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 48 LEU QB 1 61 PHE H 5.220 . 5.220 3.521 3.066 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 48 LEU HB2 1 49 LEU H 3.940 . 3.940 2.684 2.427 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 48 LEU HB3 1 49 LEU H 3.940 . 3.940 3.830 3.689 3.964 0.024 27 0 "[ . 1 . 2 . 3]" 1
211 1 48 LEU QD 1 139 ALA H 7.570 . 7.570 4.552 4.130 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 48 LEU QD 1 140 GLY H 6.430 . 6.430 3.694 2.542 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 48 LEU N 1 138 LEU O 3.300 . 3.300 2.864 2.724 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 48 LEU O 1 138 LEU H 2.300 . 2.300 1.847 1.766 2.069 0.034 21 0 "[ . 1 . 2 . 3]" 1
215 1 48 LEU O 1 138 LEU N 3.300 . 3.300 2.813 2.734 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 49 LEU H 1 49 LEU MD1 5.360 . 5.360 3.517 2.023 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 49 LEU H 1 49 LEU MD2 5.360 . 5.360 2.959 1.793 3.984 0.007 17 0 "[ . 1 . 2 . 3]" 1
218 1 49 LEU H 1 49 LEU HG 3.930 . 3.930 2.788 2.136 3.997 0.067 20 0 "[ . 1 . 2 . 3]" 1
219 1 49 LEU H 1 61 PHE H 3.630 . 3.630 2.906 2.642 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 49 LEU H 1 61 PHE QB 5.160 . 5.160 3.653 3.359 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 49 LEU H 1 61 PHE QD 7.450 . 7.450 4.882 4.455 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 49 LEU H 1 61 PHE O 2.300 . 2.300 1.888 1.774 2.082 0.026 29 0 "[ . 1 . 2 . 3]" 1
223 1 49 LEU H 1 62 LEU HA 4.040 . 4.040 3.503 3.137 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 49 LEU H 1 63 LEU H 5.420 . 5.420 4.503 4.207 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 49 LEU H 1 137 PHE QD 6.640 . 6.640 4.572 3.895 5.421 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 49 LEU H 1 137 PHE QE 6.670 . 6.670 5.255 4.356 6.152 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 49 LEU HA 1 50 VAL H 3.280 . 3.280 2.147 2.053 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 49 LEU HA 1 136 VAL H 4.800 . 4.800 4.556 4.249 4.807 0.007 27 0 "[ . 1 . 2 . 3]" 1
229 1 49 LEU HA 1 137 PHE HA 2.400 . 2.400 2.285 2.078 2.459 0.059 5 0 "[ . 1 . 2 . 3]" 1
230 1 49 LEU HA 1 138 LEU H 4.400 . 4.400 2.893 2.507 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 49 LEU QB 1 50 VAL H 4.730 . 4.730 2.900 2.622 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 49 LEU HB2 1 50 VAL H 4.470 . 4.470 2.980 2.665 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 49 LEU HB3 1 50 VAL H 4.470 . 4.470 3.990 3.733 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 49 LEU QD 1 50 VAL H 6.840 . 6.840 3.858 3.118 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 49 LEU QD 1 61 PHE H 5.630 . 5.630 2.749 2.159 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 49 LEU QD 1 61 PHE QD 8.650 . 8.650 2.588 2.016 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 49 LEU QD 1 92 PHE QE 7.850 . 7.850 2.879 2.174 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 49 LEU MD1 1 61 PHE H 6.020 . 6.020 3.571 2.174 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 49 LEU MD2 1 61 PHE H 6.020 . 6.020 4.088 2.421 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 49 LEU HG 1 50 VAL H 5.070 . 5.070 4.652 3.860 5.095 0.025 14 0 "[ . 1 . 2 . 3]" 1
241 1 49 LEU N 1 61 PHE O 3.300 . 3.300 2.840 2.743 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 49 LEU O 1 61 PHE H 2.300 . 2.300 1.882 1.775 2.171 0.025 16 0 "[ . 1 . 2 . 3]" 1
243 1 49 LEU O 1 61 PHE N 3.300 . 3.300 2.838 2.751 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 50 VAL H 1 50 VAL HB 3.560 . 3.560 3.004 2.597 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 50 VAL H 1 135 LEU HA 5.140 . 5.140 4.559 4.341 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 50 VAL H 1 136 VAL H 3.600 . 3.600 2.933 2.762 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 50 VAL H 1 136 VAL QG 5.870 . 5.870 4.027 3.697 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 50 VAL H 1 136 VAL O 2.300 . 2.300 1.867 1.757 2.001 0.043 18 0 "[ . 1 . 2 . 3]" 1
249 1 50 VAL H 1 138 LEU H 4.800 . 4.800 4.356 3.865 4.809 0.009 29 0 "[ . 1 . 2 . 3]" 1
250 1 50 VAL H 1 138 LEU QD 7.120 . 7.120 3.793 2.854 5.933 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 50 VAL HA 1 51 VAL H 3.180 . 3.180 2.156 2.101 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 50 VAL HA 1 60 ARG H 5.100 . 5.100 4.661 4.531 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 50 VAL HA 1 60 ARG HA 2.400 . 2.400 2.127 1.957 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 50 VAL HA 1 61 PHE H 4.190 . 4.190 3.483 3.071 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 50 VAL HB 1 51 VAL H 4.360 . 4.360 4.122 4.013 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 50 VAL QG 1 51 VAL H 5.310 . 5.310 2.548 2.418 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 50 VAL QG 1 58 GLY H 6.320 . 6.320 3.362 3.033 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 50 VAL QG 1 59 ALA H 6.500 . 6.500 4.055 3.753 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 50 VAL QG 1 60 ARG H 6.910 . 6.910 4.058 3.669 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 50 VAL N 1 136 VAL O 3.300 . 3.300 2.833 2.737 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 50 VAL O 1 136 VAL H 2.300 . 2.300 1.822 1.752 1.922 0.048 14 0 "[ . 1 . 2 . 3]" 1
262 1 50 VAL O 1 136 VAL N 3.300 . 3.300 2.790 2.732 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 51 VAL H 1 51 VAL HB 3.570 . 3.570 2.608 2.555 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 51 VAL H 1 57 ALA HA 4.330 . 4.330 4.319 3.981 4.382 0.052 3 0 "[ . 1 . 2 . 3]" 1
265 1 51 VAL H 1 59 ALA H 4.260 . 4.260 3.817 3.419 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 51 VAL H 1 59 ALA MB 5.650 . 5.650 3.923 3.172 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 51 VAL H 1 59 ALA O 2.300 . 2.300 1.923 1.800 2.115 0.000 5 0 "[ . 1 . 2 . 3]" 1
268 1 51 VAL H 1 60 ARG HA 4.090 . 4.090 3.289 3.064 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 51 VAL HA 1 52 LYS H 3.610 . 3.610 2.068 2.019 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 51 VAL HA 1 53 ARG H 3.600 . 3.600 3.648 3.616 3.688 0.088 3 0 "[ . 1 . 2 . 3]" 1
271 1 51 VAL HA 1 135 LEU HA 2.400 . 2.400 2.266 2.044 2.429 0.029 12 0 "[ . 1 . 2 . 3]" 1
272 1 51 VAL HA 1 136 VAL H 4.000 . 4.000 3.586 3.319 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 51 VAL HB 1 57 ALA H 4.460 . 4.460 4.229 3.884 4.472 0.012 5 0 "[ . 1 . 2 . 3]" 1
274 1 51 VAL HB 1 58 GLY H 3.860 . 3.860 2.747 2.414 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 51 VAL HB 1 59 ALA H 3.610 . 3.610 2.929 2.598 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 51 VAL QG 1 52 LYS H 4.830 . 4.830 2.837 2.747 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 51 VAL QG 1 53 ARG H 4.620 . 4.620 2.550 2.364 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 51 VAL QG 1 54 GLY H 5.450 . 5.450 3.995 3.655 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 51 VAL QG 1 56 ASN H 5.260 . 5.260 3.251 2.789 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 51 VAL QG 1 57 ALA H 4.640 . 4.640 3.191 2.956 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 51 VAL QG 1 58 GLY H 5.050 . 5.050 3.464 3.268 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 51 VAL QG 1 59 ALA H 5.390 . 5.390 3.448 3.057 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 51 VAL QG 1 133 PHE QD 8.240 . 8.240 2.594 1.918 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 51 VAL QG 1 133 PHE QE 8.240 . 8.240 3.429 2.521 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 51 VAL N 1 59 ALA O 3.300 . 3.300 2.900 2.781 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 52 LYS H 1 52 LYS QD 5.400 . 5.400 4.207 3.577 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 52 LYS H 1 53 ARG H 3.570 . 3.570 2.182 2.072 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 52 LYS H 1 135 LEU HA 4.000 . 4.000 2.600 2.154 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 52 LYS H 1 135 LEU QD 6.350 . 6.350 3.745 3.135 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 52 LYS QB 1 136 VAL H 5.430 . 5.430 3.888 3.339 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 52 LYS HB2 1 53 ARG H 4.010 . 4.010 3.622 2.633 4.037 0.027 5 0 "[ . 1 . 2 . 3]" 1
292 1 52 LYS HB3 1 53 ARG H 4.010 . 4.010 3.004 2.496 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 52 LYS QD 1 136 VAL H 5.920 . 5.920 5.137 3.710 5.976 0.056 3 0 "[ . 1 . 2 . 3]" 1
294 1 53 ARG H 1 54 GLY H 4.510 . 4.510 4.223 4.130 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 53 ARG H 1 134 ARG H 3.600 . 3.600 3.009 2.543 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 53 ARG H 1 135 LEU HA 4.830 . 4.830 4.343 3.871 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 53 ARG HA 1 54 GLY H 2.950 . 2.950 2.212 2.106 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 53 ARG QB 1 54 GLY H 4.770 . 4.770 3.613 3.440 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 53 ARG QB 1 134 ARG H 5.470 . 5.470 2.672 1.788 3.758 0.012 8 0 "[ . 1 . 2 . 3]" 1
300 1 53 ARG QG 1 54 GLY H 4.630 . 4.630 2.634 2.300 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 53 ARG HG2 1 54 GLY H 4.290 . 4.290 3.568 2.397 4.325 0.035 23 0 "[ . 1 . 2 . 3]" 1
302 1 53 ARG HG3 1 54 GLY H 4.290 . 4.290 2.899 2.315 4.368 0.078 25 0 "[ . 1 . 2 . 3]" 1
303 1 54 GLY H 1 57 ALA H 4.550 . 4.550 4.041 3.738 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 54 GLY H 1 57 ALA MB 5.300 . 5.300 2.346 1.944 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 55 PRO HA 1 57 ALA H 3.860 . 3.860 3.785 3.645 3.897 0.037 4 0 "[ . 1 . 2 . 3]" 1
306 1 55 PRO QB 1 56 ASN H 4.740 . 4.740 2.635 2.275 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 55 PRO HB2 1 56 ASN H 4.510 . 4.510 2.676 2.294 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 55 PRO HB3 1 56 ASN H 4.510 . 4.510 3.992 3.755 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 55 PRO QG 1 56 ASN H 4.960 . 4.960 3.609 2.036 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 56 ASN H 1 56 ASN HB2 4.030 . 4.030 3.085 2.367 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 56 ASN H 1 56 ASN HB3 4.030 . 4.030 3.214 2.766 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 56 ASN H 1 57 ALA H 3.220 . 3.220 2.757 2.625 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 56 ASN H 1 57 ALA MB 5.380 . 5.380 4.264 4.119 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 56 ASN H 1 80 LEU HA 4.800 . 4.800 4.898 4.841 4.972 0.172 10 0 "[ . 1 . 2 . 3]" 1
315 1 56 ASN HA 1 57 ALA H 3.210 . 3.210 3.052 2.914 3.214 0.004 7 0 "[ . 1 . 2 . 3]" 1
316 1 56 ASN HB2 1 57 ALA H 4.690 . 4.690 4.220 3.763 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 56 ASN HB3 1 57 ALA H 4.690 . 4.690 4.508 3.977 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 56 ASN QD 1 80 LEU QD 7.400 . 7.400 2.613 1.749 3.920 0.051 6 0 "[ . 1 . 2 . 3]" 1
319 1 56 ASN QD 1 133 PHE HZ 5.670 . 5.670 5.025 2.966 5.721 0.051 23 0 "[ . 1 . 2 . 3]" 1
320 1 57 ALA H 1 57 ALA MB 3.630 . 3.630 2.250 2.231 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 57 ALA H 1 58 GLY H 4.700 . 4.700 4.574 4.517 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 57 ALA H 1 59 ALA H 4.720 . 4.720 4.708 4.537 4.802 0.082 10 0 "[ . 1 . 2 . 3]" 1
323 1 57 ALA HA 1 58 GLY H 3.370 . 3.370 2.154 2.087 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 57 ALA HA 1 59 ALA H 3.590 . 3.590 3.233 3.011 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 57 ALA MB 1 58 GLY H 4.640 . 4.640 2.834 2.649 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 58 GLY H 1 59 ALA H 3.470 . 3.470 2.528 2.371 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 59 ALA H 1 60 ARG H 4.710 . 4.710 4.523 4.441 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 59 ALA HA 1 60 ARG H 2.740 . 2.740 2.205 2.109 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 59 ALA MB 1 60 ARG H 4.110 . 4.110 2.804 2.471 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 60 ARG H 1 60 ARG HB2 4.060 . 4.060 3.757 2.656 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 60 ARG H 1 60 ARG HB3 4.060 . 4.060 3.188 2.632 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 60 ARG H 1 60 ARG QG 4.400 . 4.400 2.455 2.087 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 60 ARG H 1 61 PHE H 4.450 . 4.450 4.323 4.165 4.454 0.004 29 0 "[ . 1 . 2 . 3]" 1
334 1 60 ARG HA 1 61 PHE H 3.050 . 3.050 2.184 2.075 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 60 ARG QB 1 61 PHE H 4.480 . 4.480 2.920 2.579 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 60 ARG HB2 1 61 PHE H 4.200 . 4.200 3.035 2.617 4.207 0.007 20 0 "[ . 1 . 2 . 3]" 1
337 1 60 ARG HB3 1 61 PHE H 4.200 . 4.200 4.002 3.168 4.212 0.012 4 0 "[ . 1 . 2 . 3]" 1
338 1 60 ARG QG 1 61 PHE H 5.610 . 5.610 3.971 2.707 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 60 ARG HG2 1 61 PHE H 5.500 . 5.500 4.836 2.957 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 60 ARG HG3 1 61 PHE H 5.500 . 5.500 4.301 3.139 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 61 PHE H 1 61 PHE HB2 3.990 . 3.990 2.704 2.531 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 61 PHE H 1 61 PHE HB3 3.990 . 3.990 3.766 3.451 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 61 PHE H 1 61 PHE QD 5.590 . 5.590 3.014 2.655 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 61 PHE H 1 62 LEU H 4.640 . 4.640 4.315 4.125 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 61 PHE H 1 78 ILE MG 5.830 . 5.830 5.273 4.602 5.899 0.069 18 0 "[ . 1 . 2 . 3]" 1
346 1 61 PHE HA 1 62 LEU H 3.240 . 3.240 2.190 2.080 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 61 PHE QB 1 62 LEU H 4.560 . 4.560 2.999 2.752 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 61 PHE HB2 1 62 LEU H 4.460 . 4.460 4.004 2.811 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 61 PHE HB3 1 62 LEU H 4.460 . 4.460 3.130 2.817 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 61 PHE QD 1 62 LEU H 6.410 . 6.410 4.090 3.876 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 61 PHE QD 1 78 ILE MG 7.550 . 7.550 2.969 2.395 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 61 PHE QE 1 78 ILE MD 7.150 . 7.150 4.177 2.268 5.670 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 61 PHE QE 1 80 LEU QD 9.050 . 9.050 3.692 2.365 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 62 LEU H 1 62 LEU QB 3.730 . 3.730 2.598 2.250 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 62 LEU H 1 62 LEU MD1 5.450 . 5.450 3.879 1.788 4.522 0.012 9 0 "[ . 1 . 2 . 3]" 1
356 1 62 LEU H 1 62 LEU MD2 5.450 . 5.450 3.369 1.778 4.306 0.022 2 0 "[ . 1 . 2 . 3]" 1
357 1 62 LEU H 1 63 LEU H 4.740 . 4.740 4.440 4.309 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 62 LEU HA 1 63 LEU H 3.110 . 3.110 2.165 2.064 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 62 LEU QB 1 63 LEU H 5.030 . 5.030 3.281 2.686 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 63 LEU H 1 63 LEU QB 3.140 . 3.140 2.465 2.323 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 63 LEU H 1 63 LEU MD1 4.960 . 4.960 3.441 2.062 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 63 LEU H 1 63 LEU MD2 4.960 . 4.960 2.737 1.952 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 63 LEU HA 1 64 ASP H 3.110 . 3.110 2.111 2.030 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 63 LEU QB 1 64 ASP H 3.840 . 3.840 3.469 3.160 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 63 LEU QB 1 65 GLN H 4.150 . 4.150 3.564 2.629 4.183 0.033 8 0 "[ . 1 . 2 . 3]" 1
366 1 63 LEU QD 1 64 ASP H 5.990 . 5.990 3.791 3.522 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 63 LEU QD 1 65 GLN H 6.430 . 6.430 4.197 3.749 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 64 ASP H 1 65 GLN H 3.160 . 3.160 1.988 1.790 2.880 0.010 7 0 "[ . 1 . 2 . 3]" 1
369 1 64 ASP H 1 65 GLN QB 4.400 . 4.400 3.975 3.437 4.510 0.110 25 0 "[ . 1 . 2 . 3]" 1
370 1 64 ASP H 1 65 GLN QG 5.140 . 5.140 3.322 2.321 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 65 GLN H 1 65 GLN HB2 4.100 . 4.100 3.691 2.462 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 65 GLN H 1 65 GLN QB 3.460 . 3.460 2.976 2.425 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 65 GLN H 1 65 GLN HB3 4.100 . 4.100 3.174 2.954 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 65 GLN H 1 65 GLN HG2 3.980 . 3.980 2.521 1.809 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 65 GLN H 1 65 GLN QG 4.300 . 4.300 2.417 1.797 3.002 0.003 28 0 "[ . 1 . 2 . 3]" 1
376 1 65 GLN H 1 65 GLN HG3 3.980 . 3.980 3.440 2.525 4.008 0.028 3 0 "[ . 1 . 2 . 3]" 1
377 1 65 GLN H 1 66 PRO QD 5.620 . 5.620 4.357 4.185 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 65 GLN H 1 94 ILE MG 5.430 . 5.430 5.051 3.743 5.516 0.086 24 0 "[ . 1 . 2 . 3]" 1
379 1 65 GLN QB 1 67 THR H 3.620 . 3.620 2.769 1.926 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 65 GLN HB2 1 67 THR H 4.370 . 4.370 2.833 2.657 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 65 GLN HB3 1 67 THR H 4.370 . 4.370 4.348 1.951 4.494 0.124 9 0 "[ . 1 . 2 . 3]" 1
382 1 65 GLN QE 1 68 THR HA 4.870 . 4.870 3.592 2.253 4.881 0.011 14 0 "[ . 1 . 2 . 3]" 1
383 1 65 GLN QG 1 67 THR H 4.730 . 4.730 2.834 2.255 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 65 GLN HG2 1 67 THR H 4.420 . 4.420 3.758 2.670 4.486 0.066 4 0 "[ . 1 . 2 . 3]" 1
385 1 65 GLN HG3 1 67 THR H 4.420 . 4.420 3.267 2.268 4.658 0.238 10 0 "[ . 1 . 2 . 3]" 1
386 1 66 PRO HA 1 94 ILE H 4.000 . 4.000 3.083 2.559 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 66 PRO QB 1 67 THR H 3.650 . 3.650 3.129 2.694 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 66 PRO O 1 94 ILE H 2.300 . 2.300 1.913 1.759 2.344 0.044 20 0 "[ . 1 . 2 . 3]" 1
389 1 66 PRO O 1 94 ILE N 3.300 . 3.300 2.856 2.732 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 67 THR H 1 67 THR HB 3.080 . 3.080 2.908 2.768 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 67 THR H 1 68 THR H 4.490 . 4.490 4.079 3.985 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 67 THR HA 1 68 THR H 3.120 . 3.120 2.132 2.064 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 67 THR HA 1 93 ARG HA 2.400 . 2.400 2.386 2.216 2.520 0.120 3 0 "[ . 1 . 2 . 3]" 1
394 1 67 THR HB 1 68 THR H 4.570 . 4.570 4.218 4.129 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 67 THR MG 1 68 THR H 4.500 . 4.500 2.814 2.680 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 68 THR H 1 68 THR HB 3.840 . 3.840 2.615 2.444 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 68 THR H 1 91 GLU QB 5.850 . 5.850 4.255 3.420 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 68 THR H 1 92 PHE H 4.100 . 4.100 3.051 2.704 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 68 THR H 1 92 PHE QB 4.370 . 4.370 3.088 2.351 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 68 THR H 1 92 PHE QD 7.570 . 7.570 4.497 3.906 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 68 THR H 1 92 PHE O 2.300 . 2.300 1.800 1.741 1.852 0.059 8 0 "[ . 1 . 2 . 3]" 1
402 1 68 THR H 1 93 ARG HA 4.000 . 4.000 3.396 2.896 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 68 THR H 1 93 ARG QG 4.810 . 4.810 4.221 3.394 4.922 0.112 9 0 "[ . 1 . 2 . 3]" 1
404 1 68 THR H 1 94 ILE H 4.800 . 4.800 4.634 4.272 4.818 0.018 24 0 "[ . 1 . 2 . 3]" 1
405 1 68 THR HA 1 69 THR H 3.180 . 3.180 2.236 2.150 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 68 THR HB 1 92 PHE H 4.280 . 4.280 3.157 2.687 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 68 THR MG 1 69 THR H 4.270 . 4.270 2.970 2.482 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 68 THR MG 1 77 ASP H 5.090 . 5.090 3.865 2.979 5.110 0.020 10 0 "[ . 1 . 2 . 3]" 1
409 1 68 THR MG 1 78 ILE H 5.230 . 5.230 3.204 2.751 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 68 THR MG 1 92 PHE H 5.360 . 5.360 4.068 2.836 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 68 THR N 1 92 PHE O 3.300 . 3.300 2.757 2.715 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 68 THR O 1 92 PHE H 2.300 . 2.300 1.767 1.727 1.797 0.073 14 0 "[ . 1 . 2 . 3]" 1
413 1 68 THR O 1 92 PHE N 3.300 . 3.300 2.734 2.701 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 69 THR H 1 77 ASP H 4.210 . 4.210 2.944 2.608 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 69 THR H 1 77 ASP HB2 4.070 . 4.070 3.103 2.269 4.136 0.066 6 0 "[ . 1 . 2 . 3]" 1
416 1 69 THR H 1 77 ASP HB3 4.070 . 4.070 3.138 1.888 4.109 0.039 5 0 "[ . 1 . 2 . 3]" 1
417 1 69 THR HA 1 70 ALA H 3.140 . 3.140 2.247 2.159 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 69 THR HA 1 91 GLU HA 2.800 . 2.800 2.431 2.111 2.803 0.003 13 0 "[ . 1 . 2 . 3]" 1
419 1 69 THR HA 1 92 PHE H 3.600 . 3.600 3.395 2.946 3.632 0.032 25 0 "[ . 1 . 2 . 3]" 1
420 1 69 THR HB 1 70 ALA H 4.190 . 4.190 3.829 2.852 4.230 0.040 26 0 "[ . 1 . 2 . 3]" 1
421 1 69 THR HB 1 77 ASP H 4.250 . 4.250 3.065 2.119 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 69 THR MG 1 70 ALA H 4.910 . 4.910 2.801 2.341 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 70 ALA H 1 71 GLY H 4.790 . 4.790 4.345 4.292 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 70 ALA H 1 90 ALA H 4.570 . 4.570 3.292 2.962 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 70 ALA H 1 90 ALA O 2.300 . 2.300 1.859 1.774 2.075 0.026 7 0 "[ . 1 . 2 . 3]" 1
426 1 70 ALA H 1 91 GLU HA 3.600 . 3.600 2.922 2.610 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 70 ALA H 1 91 GLU QB 5.070 . 5.070 3.872 2.872 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 70 ALA H 1 92 PHE H 4.780 . 4.780 4.448 4.165 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 70 ALA H 1 92 PHE QE 7.480 . 7.480 4.486 3.406 5.406 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 70 ALA HA 1 71 GLY H 3.410 . 3.410 2.148 2.089 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 70 ALA HA 1 76 SER QB 4.880 . 4.880 2.925 2.469 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 70 ALA HA 1 78 ILE H 4.000 . 4.000 3.184 2.410 4.022 0.022 13 0 "[ . 1 . 2 . 3]" 1
433 1 70 ALA MB 1 71 GLY H 4.580 . 4.580 2.920 2.693 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 70 ALA MB 1 90 ALA H 5.080 . 5.080 2.995 2.167 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 70 ALA MB 1 92 PHE QE 6.750 . 6.750 2.096 1.912 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 70 ALA N 1 90 ALA O 3.300 . 3.300 2.804 2.751 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 70 ALA O 1 90 ALA H 2.300 . 2.300 2.326 2.087 2.390 0.090 25 0 "[ . 1 . 2 . 3]" 1
438 1 70 ALA O 1 90 ALA N 3.300 . 3.300 3.291 3.055 3.368 0.068 14 0 "[ . 1 . 2 . 3]" 1
439 1 71 GLY H 1 76 SER QB 4.480 . 4.480 2.873 2.302 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 71 GLY H 1 79 PHE HA 4.560 . 4.560 3.638 2.434 4.602 0.042 25 0 "[ . 1 . 2 . 3]" 1
441 1 71 GLY H 1 80 LEU H 4.400 . 4.400 3.442 2.477 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 71 GLY H 1 80 LEU QD 6.580 . 6.580 3.270 2.107 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 72 ARG H 1 72 ARG HG2 5.220 . 5.220 3.941 2.112 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 72 ARG H 1 72 ARG HG3 5.220 . 5.220 4.237 2.201 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 72 ARG H 1 73 HIS H 4.650 . 4.650 4.318 4.088 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 72 ARG H 1 85 VAL QG 6.920 . 6.920 4.298 2.402 5.909 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 72 ARG HA 1 80 LEU H 4.400 . 4.400 3.655 2.666 4.450 0.050 6 0 "[ . 1 . 2 . 3]" 1
448 1 72 ARG QB 1 73 HIS H 4.650 . 4.650 3.440 2.583 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 72 ARG HB2 1 73 HIS H 4.410 . 4.410 3.967 2.672 4.448 0.038 20 0 "[ . 1 . 2 . 3]" 1
450 1 72 ARG HB3 1 73 HIS H 4.410 . 4.410 3.942 2.619 4.436 0.026 27 0 "[ . 1 . 2 . 3]" 1
451 1 72 ARG QG 1 73 HIS H 5.120 . 5.120 3.342 2.247 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 72 ARG HG2 1 73 HIS H 4.950 . 4.950 3.777 2.361 5.037 0.087 29 0 "[ . 1 . 2 . 3]" 1
453 1 72 ARG HG3 1 73 HIS H 4.950 . 4.950 3.981 2.642 5.000 0.050 6 0 "[ . 1 . 2 . 3]" 1
454 1 73 HIS H 1 73 HIS HD2 4.820 . 4.820 4.273 2.883 4.964 0.144 1 0 "[ . 1 . 2 . 3]" 1
455 1 73 HIS H 1 74 PRO QD 4.200 . 4.200 4.019 3.402 4.237 0.037 22 0 "[ . 1 . 2 . 3]" 1
456 1 73 HIS QB 1 76 SER H 5.140 . 5.140 3.290 2.145 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 74 PRO HA 1 76 SER H 3.860 . 3.860 3.736 3.207 3.925 0.065 1 0 "[ . 1 . 2 . 3]" 1
458 1 75 GLU H 1 75 GLU HB2 4.060 . 4.060 2.831 2.320 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 75 GLU H 1 75 GLU HB3 4.060 . 4.060 3.353 2.335 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 75 GLU H 1 75 GLU HG2 4.230 . 4.230 2.994 1.837 4.270 0.040 3 0 "[ . 1 . 2 . 3]" 1
461 1 75 GLU H 1 75 GLU QG 4.480 . 4.480 2.525 1.825 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 75 GLU H 1 75 GLU HG3 4.230 . 4.230 3.292 2.092 4.272 0.042 3 0 "[ . 1 . 2 . 3]" 1
463 1 75 GLU H 1 76 SER H 3.360 . 3.360 2.460 2.238 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 75 GLU QB 1 76 SER H 4.930 . 4.930 3.366 2.507 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 75 GLU HB2 1 76 SER H 4.650 . 4.650 3.622 2.551 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 75 GLU HB3 1 76 SER H 4.650 . 4.650 4.153 2.764 4.665 0.015 19 0 "[ . 1 . 2 . 3]" 1
467 1 76 SER H 1 76 SER HB2 4.160 . 4.160 2.727 2.391 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 76 SER H 1 76 SER HB3 4.160 . 4.160 3.400 2.562 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 76 SER H 1 77 ASP H 4.610 . 4.610 4.432 4.244 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 76 SER HA 1 77 ASP H 3.330 . 3.330 2.184 2.067 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 76 SER QB 1 77 ASP H 4.910 . 4.910 3.151 2.678 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 76 SER HB2 1 77 ASP H 4.650 . 4.650 3.936 2.935 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 76 SER HB3 1 77 ASP H 4.650 . 4.650 3.461 2.738 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 77 ASP H 1 77 ASP HB2 3.790 . 3.790 2.517 2.281 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 77 ASP H 1 77 ASP HB3 3.790 . 3.790 2.721 2.477 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 77 ASP HB2 1 78 ILE H 4.220 . 4.220 3.661 2.334 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 77 ASP HB3 1 78 ILE H 4.220 . 4.220 2.704 2.359 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 78 ILE H 1 78 ILE HB 4.000 . 4.000 3.150 2.570 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 78 ILE H 1 78 ILE MD 5.160 . 5.160 3.621 3.181 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 78 ILE H 1 78 ILE HG12 4.750 . 4.750 2.581 2.137 4.814 0.064 18 0 "[ . 1 . 2 . 3]" 1
481 1 78 ILE H 1 78 ILE QG 4.990 . 4.990 2.413 2.087 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 78 ILE HA 1 79 PHE H 3.070 . 3.070 2.121 1.987 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 78 ILE HB 1 79 PHE H 4.540 . 4.540 3.873 3.028 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 78 ILE MD 1 79 PHE H 5.690 . 5.690 4.328 2.376 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 78 ILE HG12 1 79 PHE H 5.500 . 5.500 5.193 4.786 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 78 ILE MG 1 79 PHE H 5.150 . 5.150 3.483 2.696 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 79 PHE H 1 80 LEU H 4.740 . 4.740 4.335 4.190 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 79 PHE HA 1 80 LEU H 3.470 . 3.470 2.094 2.025 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 79 PHE QB 1 80 LEU H 5.390 . 5.390 3.765 2.741 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 79 PHE QD 1 80 LEU H 6.040 . 6.040 3.668 3.205 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 79 PHE QE 1 81 ASP QB 7.000 . 7.000 2.844 2.100 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 80 LEU H 1 80 LEU MD1 5.250 . 5.250 3.799 2.491 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 80 LEU H 1 80 LEU MD2 5.250 . 5.250 3.503 2.369 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 80 LEU H 1 80 LEU HG 4.390 . 4.390 3.180 2.512 4.420 0.030 30 0 "[ . 1 . 2 . 3]" 1
495 1 80 LEU HA 1 81 ASP H 3.220 . 3.220 2.197 2.082 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 80 LEU QB 1 81 ASP H 4.770 . 4.770 3.072 2.874 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 80 LEU HB2 1 81 ASP H 4.540 . 4.540 4.037 3.857 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 80 LEU HB3 1 81 ASP H 4.540 . 4.540 3.187 2.954 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 80 LEU QD 1 81 ASP H 6.360 . 6.360 3.774 3.573 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 80 LEU QD 1 92 PHE HZ 5.730 . 5.730 4.537 3.546 5.456 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 80 LEU QD 1 133 PHE QE 8.250 . 8.250 2.458 1.815 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 80 LEU QD 1 133 PHE HZ 6.130 . 6.130 3.360 2.361 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 80 LEU HG 1 81 ASP H 5.420 . 5.420 5.196 4.340 5.453 0.033 22 0 "[ . 1 . 2 . 3]" 1
504 1 81 ASP H 1 82 ASP H 4.550 . 4.550 4.307 4.103 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 81 ASP H 1 133 PHE QE 6.110 . 6.110 3.660 2.636 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 81 ASP H 1 133 PHE HZ 3.600 . 3.600 3.120 1.789 3.676 0.076 30 0 "[ . 1 . 2 . 3]" 1
507 1 81 ASP HA 1 82 ASP H 3.410 . 3.410 2.100 2.014 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 81 ASP QB 1 82 ASP H 5.150 . 5.150 3.686 3.069 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 82 ASP H 1 83 VAL H 4.630 . 4.630 4.318 4.074 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 82 ASP H 1 133 PHE QE 6.770 . 6.770 4.662 3.118 5.543 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 82 ASP H 1 133 PHE HZ 5.340 . 5.340 4.703 3.831 5.386 0.046 11 0 "[ . 1 . 2 . 3]" 1
512 1 82 ASP HA 1 83 VAL H 3.020 . 3.020 2.611 2.212 3.047 0.027 20 0 "[ . 1 . 2 . 3]" 1
513 1 82 ASP HA 1 84 THR H 4.760 . 4.760 4.341 3.981 4.777 0.017 5 0 "[ . 1 . 2 . 3]" 1
514 1 82 ASP QB 1 83 VAL H 4.600 . 4.600 2.854 1.837 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 82 ASP QB 1 84 THR H 4.950 . 4.950 2.918 2.438 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 83 VAL H 1 83 VAL HB 3.960 . 3.960 2.548 2.467 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 83 VAL H 1 83 VAL QG 3.860 . 3.860 2.073 1.922 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 83 VAL H 1 84 THR H 3.960 . 3.960 2.401 2.089 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 83 VAL HB 1 84 THR H 5.140 . 5.140 2.778 2.504 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 83 VAL QG 1 84 THR H 4.630 . 4.630 3.323 3.177 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 84 THR H 1 85 VAL H 4.530 . 4.530 4.125 2.397 4.572 0.042 9 0 "[ . 1 . 2 . 3]" 1
522 1 84 THR MG 1 85 VAL H 4.450 . 4.450 2.796 1.790 4.298 0.010 2 0 "[ . 1 . 2 . 3]" 1
523 1 85 VAL H 1 85 VAL HB 3.490 . 3.490 2.597 2.430 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 86 SER HA 1 88 ARG H 4.830 . 4.830 3.891 3.354 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 86 SER QB 1 88 ARG H 5.160 . 5.160 3.669 2.663 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 87 ARG H 1 87 ARG HG2 4.360 . 4.360 2.291 1.783 3.866 0.017 23 0 "[ . 1 . 2 . 3]" 1
527 1 87 ARG H 1 87 ARG HG3 4.360 . 4.360 3.029 1.757 4.031 0.043 13 0 "[ . 1 . 2 . 3]" 1
528 1 87 ARG H 1 88 ARG H 3.980 . 3.980 2.668 2.283 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 87 ARG QB 1 88 ARG H 4.680 . 4.680 3.369 2.107 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 87 ARG HB2 1 88 ARG H 4.530 . 4.530 3.637 2.123 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 87 ARG HB3 1 88 ARG H 4.530 . 4.530 4.036 3.543 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 87 ARG HE 1 88 ARG H 5.130 . 5.130 4.628 3.473 5.187 0.057 17 0 "[ . 1 . 2 . 3]" 1
533 1 87 ARG QG 1 88 ARG H 4.500 . 4.500 2.351 1.908 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 87 ARG HG2 1 88 ARG H 4.240 . 4.240 3.056 2.366 4.281 0.041 13 0 "[ . 1 . 2 . 3]" 1
535 1 87 ARG HG3 1 88 ARG H 4.240 . 4.240 2.580 1.992 4.258 0.018 26 0 "[ . 1 . 2 . 3]" 1
536 1 88 ARG H 1 88 ARG QD 5.450 . 5.450 4.617 3.269 5.441 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 88 ARG H 1 88 ARG HG2 5.160 . 5.160 4.103 2.993 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 88 ARG H 1 88 ARG HG3 5.160 . 5.160 4.039 2.872 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 88 ARG HA 1 89 HIS H 3.560 . 3.560 2.191 2.066 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 88 ARG QB 1 104 VAL QG 7.800 . 7.800 2.301 1.788 3.484 0.012 20 0 "[ . 1 . 2 . 3]" 1
541 1 88 ARG QG 1 104 VAL QG 7.000 . 7.000 3.094 1.866 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 89 HIS H 1 90 ALA H 3.740 . 3.740 2.293 2.149 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 89 HIS QB 1 90 ALA H 4.540 . 4.540 2.405 2.256 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 89 HIS HB2 1 90 ALA H 4.300 . 4.300 3.785 3.501 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 89 HIS HB3 1 90 ALA H 4.300 . 4.300 2.433 2.281 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 89 HIS HD2 1 109 GLY H 5.200 . 5.200 4.559 2.850 5.329 0.129 17 0 "[ . 1 . 2 . 3]" 1
547 1 89 HIS HD2 1 110 THR H 4.930 . 4.930 4.831 3.899 5.013 0.083 21 0 "[ . 1 . 2 . 3]" 1
548 1 89 HIS HE2 1 108 ASN QB 5.680 . 5.680 3.476 2.140 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 89 HIS HE2 1 110 THR HB 5.000 . 5.000 3.992 3.522 5.025 0.025 18 0 "[ . 1 . 2 . 3]" 1
550 1 89 HIS HE2 1 130 ILE MD 5.830 . 5.830 4.641 2.554 5.560 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 89 HIS HE2 1 131 GLY H 4.800 . 4.800 4.496 3.552 4.923 0.123 22 0 "[ . 1 . 2 . 3]" 1
552 1 90 ALA H 1 91 GLU H 4.540 . 4.540 4.276 4.175 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 90 ALA H 1 104 VAL QG 6.630 . 6.630 3.532 3.090 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 90 ALA HA 1 91 GLU H 3.350 . 3.350 2.283 2.139 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 90 ALA HA 1 103 ASP HA 2.400 . 2.400 2.344 1.968 2.495 0.095 17 0 "[ . 1 . 2 . 3]" 1
556 1 90 ALA HA 1 104 VAL H 3.600 . 3.600 2.548 2.100 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 90 ALA MB 1 91 GLU H 4.360 . 4.360 2.522 2.365 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 90 ALA MB 1 102 VAL H 5.690 . 5.690 3.902 3.577 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 90 ALA MB 1 103 ASP H 5.660 . 5.660 4.457 3.942 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 90 ALA MB 1 104 VAL H 5.290 . 5.290 3.653 3.250 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 91 GLU H 1 91 GLU HB2 4.150 . 4.150 3.636 2.647 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 91 GLU H 1 91 GLU HB3 4.150 . 4.150 3.258 2.548 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 91 GLU H 1 91 GLU QG 5.100 . 5.100 2.703 2.091 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 91 GLU H 1 101 VAL QG 5.180 . 5.180 3.646 3.186 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 91 GLU H 1 102 VAL H 3.750 . 3.750 3.091 2.777 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 91 GLU H 1 102 VAL O 2.300 . 2.300 1.831 1.773 1.951 0.027 30 0 "[ . 1 . 2 . 3]" 1
567 1 91 GLU H 1 103 ASP HA 3.600 . 3.600 3.533 2.969 3.683 0.083 26 0 "[ . 1 . 2 . 3]" 1
568 1 91 GLU H 1 104 VAL H 4.530 . 4.530 4.295 3.843 4.631 0.101 28 0 "[ . 1 . 2 . 3]" 1
569 1 91 GLU H 1 104 VAL MG1 5.570 . 5.570 3.729 2.962 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 91 GLU H 1 104 VAL MG2 5.570 . 5.570 3.795 2.849 5.617 0.047 6 0 "[ . 1 . 2 . 3]" 1
571 1 91 GLU HA 1 92 PHE H 3.310 . 3.310 2.143 2.069 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 91 GLU QB 1 92 PHE H 4.540 . 4.540 2.964 2.406 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 91 GLU HB2 1 92 PHE H 4.330 . 4.330 3.178 2.445 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 91 GLU HB3 1 92 PHE H 4.330 . 4.330 3.866 3.063 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 91 GLU QG 1 92 PHE H 5.380 . 5.380 3.824 2.601 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 91 GLU QG 1 102 VAL H 5.430 . 5.430 3.682 2.814 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 91 GLU N 1 102 VAL O 3.300 . 3.300 2.802 2.745 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 91 GLU O 1 102 VAL H 2.300 . 2.300 1.834 1.775 2.009 0.025 14 0 "[ . 1 . 2 . 3]" 1
579 1 91 GLU O 1 102 VAL N 3.300 . 3.300 2.812 2.750 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 92 PHE H 1 92 PHE QB 3.530 . 3.530 2.492 2.357 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 92 PHE HA 1 93 ARG H 3.220 . 3.220 2.123 2.067 2.168 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 92 PHE HA 1 100 GLU H 4.810 . 4.810 4.582 4.242 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 92 PHE HA 1 101 VAL HA 2.400 . 2.400 2.340 2.154 2.442 0.042 15 0 "[ . 1 . 2 . 3]" 1
584 1 92 PHE HA 1 102 VAL H 3.600 . 3.600 3.354 2.956 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 92 PHE QB 1 93 ARG H 3.870 . 3.870 3.285 3.000 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 92 PHE QB 1 100 GLU H 4.850 . 4.850 4.682 4.129 4.900 0.050 23 0 "[ . 1 . 2 . 3]" 1
587 1 92 PHE QD 1 101 VAL HA 6.120 . 6.120 3.539 2.247 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 92 PHE QE 1 101 VAL QG 6.640 . 6.640 2.415 2.010 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 93 ARG H 1 93 ARG HB2 3.940 . 3.940 2.620 2.377 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 93 ARG H 1 93 ARG HB3 3.940 . 3.940 3.567 2.583 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 93 ARG H 1 93 ARG QG 4.790 . 4.790 2.938 2.425 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 93 ARG H 1 94 ILE H 4.810 . 4.810 4.310 4.196 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 93 ARG H 1 100 GLU H 3.820 . 3.820 3.141 2.962 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 93 ARG H 1 100 GLU O 2.300 . 2.300 1.807 1.739 1.924 0.061 21 0 "[ . 1 . 2 . 3]" 1
595 1 93 ARG H 1 101 VAL HA 3.600 . 3.600 3.352 2.998 3.642 0.042 29 0 "[ . 1 . 2 . 3]" 1
596 1 93 ARG H 1 101 VAL QG 6.300 . 6.300 4.145 3.667 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 93 ARG H 1 102 VAL H 4.240 . 4.240 4.126 3.754 4.286 0.046 2 0 "[ . 1 . 2 . 3]" 1
598 1 93 ARG H 1 102 VAL QG 6.740 . 6.740 3.860 3.327 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 93 ARG HA 1 94 ILE H 3.220 . 3.220 2.116 2.049 2.168 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 93 ARG QB 1 94 ILE H 4.650 . 4.650 3.166 2.685 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 93 ARG QB 1 100 GLU H 5.330 . 5.330 3.625 3.088 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 93 ARG QG 1 94 ILE H 5.960 . 5.960 3.930 2.491 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 93 ARG N 1 100 GLU O 3.300 . 3.300 2.768 2.712 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 93 ARG O 1 100 GLU H 2.300 . 2.300 1.828 1.750 1.990 0.050 19 0 "[ . 1 . 2 . 3]" 1
605 1 93 ARG O 1 100 GLU N 3.300 . 3.300 2.803 2.723 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 94 ILE H 1 94 ILE HB 3.640 . 3.640 2.586 2.418 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 94 ILE H 1 94 ILE MD 4.800 . 4.800 2.630 2.113 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 94 ILE H 1 95 ASN H 4.380 . 4.380 4.155 4.077 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 94 ILE HA 1 95 ASN H 2.930 . 2.930 2.118 2.004 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 94 ILE HA 1 98 GLU H 4.630 . 4.630 4.536 4.286 4.682 0.052 24 0 "[ . 1 . 2 . 3]" 1
611 1 94 ILE HA 1 99 PHE HA 2.400 . 2.400 2.430 2.370 2.468 0.068 2 0 "[ . 1 . 2 . 3]" 1
612 1 94 ILE HA 1 100 GLU H 4.070 . 4.070 3.342 3.052 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 94 ILE HB 1 95 ASN H 4.920 . 4.920 4.272 4.073 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 94 ILE QG 1 95 ASN H 6.100 . 6.100 4.333 4.055 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 94 ILE MG 1 95 ASN H 5.320 . 5.320 2.983 2.675 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 95 ASN H 1 95 ASN HB2 3.900 . 3.900 3.267 2.681 3.924 0.024 28 0 "[ . 1 . 2 . 3]" 1
617 1 95 ASN H 1 95 ASN HB3 3.900 . 3.900 3.027 2.508 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 95 ASN H 1 96 GLU H 4.540 . 4.540 4.124 4.035 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 95 ASN H 1 97 GLY H 4.540 . 4.540 4.008 3.808 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 95 ASN H 1 98 GLU H 3.420 . 3.420 3.099 2.916 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 95 ASN H 1 98 GLU QB 4.870 . 4.870 3.439 2.941 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 95 ASN H 1 98 GLU O 2.300 . 2.300 1.878 1.763 2.030 0.037 6 0 "[ . 1 . 2 . 3]" 1
623 1 95 ASN H 1 99 PHE HA 4.190 . 4.190 3.650 3.413 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 95 ASN H 1 99 PHE QD 7.180 . 7.180 5.402 4.270 5.689 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 95 ASN H 1 100 GLU H 4.650 . 4.650 4.320 3.805 4.690 0.040 25 0 "[ . 1 . 2 . 3]" 1
626 1 95 ASN HA 1 96 GLU H 2.920 . 2.920 2.083 2.017 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 95 ASN HA 1 97 GLY H 4.230 . 4.230 3.827 3.529 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 95 ASN QB 1 98 GLU H 5.580 . 5.580 4.372 3.801 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 95 ASN HB2 1 96 GLU H 4.280 . 4.280 4.053 3.135 4.310 0.030 13 0 "[ . 1 . 2 . 3]" 1
630 1 95 ASN HB3 1 96 GLU H 4.280 . 4.280 4.074 3.249 4.303 0.023 24 0 "[ . 1 . 2 . 3]" 1
631 1 95 ASN N 1 98 GLU O 3.300 . 3.300 2.816 2.736 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 96 GLU H 1 96 GLU HA 2.840 . 2.840 2.255 2.207 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 96 GLU H 1 96 GLU QG 4.710 . 4.710 3.017 2.477 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 96 GLU H 1 97 GLY H 3.740 . 3.740 2.777 2.675 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 96 GLU HA 1 97 GLY H 3.290 . 3.290 2.784 2.581 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 96 GLU HA 1 98 GLU H 4.420 . 4.420 4.345 4.260 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 96 GLU QB 1 97 GLY H 4.940 . 4.940 3.850 3.815 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 97 GLY H 1 98 GLU H 3.420 . 3.420 2.667 2.553 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 97 GLY H 1 98 GLU QG 6.220 . 6.220 4.506 4.301 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 98 GLU H 1 98 GLU HG2 3.530 . 3.530 3.290 2.323 3.604 0.074 12 0 "[ . 1 . 2 . 3]" 1
641 1 98 GLU H 1 98 GLU HG3 3.530 . 3.530 2.817 2.359 3.648 0.118 22 0 "[ . 1 . 2 . 3]" 1
642 1 98 GLU H 1 99 PHE H 4.650 . 4.650 4.447 4.349 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 98 GLU H 1 99 PHE QD 7.390 . 7.390 5.351 4.579 5.742 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 98 GLU HA 1 99 PHE H 3.020 . 3.020 2.218 2.102 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 98 GLU QB 1 99 PHE H 4.460 . 4.460 2.836 2.557 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 98 GLU HB2 1 99 PHE H 4.190 . 4.190 3.876 3.615 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 98 GLU HB3 1 99 PHE H 4.190 . 4.190 2.917 2.614 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 98 GLU QG 1 99 PHE H 5.320 . 5.320 4.199 3.981 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 99 PHE H 1 99 PHE HB2 3.960 . 3.960 2.571 2.386 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 99 PHE H 1 99 PHE HB3 3.960 . 3.960 3.682 3.611 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 99 PHE H 1 99 PHE QD 5.390 . 5.390 2.473 2.260 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 99 PHE H 1 121 VAL QG 4.790 . 4.790 3.342 2.500 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 99 PHE HA 1 100 GLU H 3.030 . 3.030 2.208 2.118 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 99 PHE QD 1 100 GLU H 7.090 . 7.090 4.638 4.401 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 99 PHE QD 1 137 PHE QE 7.840 . 7.840 3.363 2.671 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 99 PHE O 1 122 MET H 2.300 . 2.300 1.895 1.772 2.256 0.028 22 0 "[ . 1 . 2 . 3]" 1
657 1 99 PHE O 1 122 MET N 3.300 . 3.300 2.846 2.705 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 100 GLU H 1 100 GLU HG2 4.080 . 4.080 2.590 2.185 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 100 GLU H 1 100 GLU QG 4.310 . 4.310 2.347 2.121 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 100 GLU H 1 100 GLU HG3 4.080 . 4.080 3.006 2.703 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 100 GLU H 1 101 VAL H 4.660 . 4.660 4.353 4.219 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 100 GLU H 1 121 VAL HA 5.110 . 5.110 4.826 4.479 5.160 0.050 1 0 "[ . 1 . 2 . 3]" 1
663 1 100 GLU H 1 121 VAL QG 5.670 . 5.670 4.573 4.042 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 100 GLU HA 1 101 VAL H 3.180 . 3.180 2.174 2.077 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 100 GLU HA 1 121 VAL H 4.860 . 4.860 4.735 4.372 4.913 0.053 26 0 "[ . 1 . 2 . 3]" 1
666 1 100 GLU HA 1 122 MET H 3.560 . 3.560 2.725 2.194 3.571 0.011 21 0 "[ . 1 . 2 . 3]" 1
667 1 100 GLU QB 1 101 VAL H 4.490 . 4.490 2.929 2.704 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 100 GLU HB2 1 101 VAL H 4.160 . 4.160 3.162 2.759 4.172 0.012 21 0 "[ . 1 . 2 . 3]" 1
669 1 100 GLU HB3 1 101 VAL H 4.160 . 4.160 3.867 2.904 4.171 0.011 2 0 "[ . 1 . 2 . 3]" 1
670 1 101 VAL H 1 101 VAL HB 3.850 . 3.850 2.612 2.509 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 101 VAL H 1 101 VAL QG 4.030 . 4.030 2.402 2.177 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 101 VAL H 1 102 VAL QG 6.460 . 6.460 3.996 3.776 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 101 VAL H 1 119 ALA HA 4.800 . 4.800 4.656 4.422 4.800 0.000 3 0 "[ . 1 . 2 . 3]" 1
674 1 101 VAL H 1 120 GLN O 2.300 . 2.300 1.789 1.734 1.901 0.066 19 0 "[ . 1 . 2 . 3]" 1
675 1 101 VAL H 1 121 VAL HA 3.600 . 3.600 3.371 3.032 3.602 0.002 1 0 "[ . 1 . 2 . 3]" 1
676 1 101 VAL H 1 121 VAL MG1 6.530 . 6.530 5.125 4.793 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 101 VAL H 1 121 VAL QG 5.680 . 5.680 4.370 3.890 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 101 VAL H 1 121 VAL MG2 6.530 . 6.530 4.744 4.109 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 101 VAL H 1 122 MET H 3.960 . 3.960 3.852 3.578 4.077 0.117 1 0 "[ . 1 . 2 . 3]" 1
680 1 101 VAL H 1 122 MET ME 5.860 . 5.860 4.703 3.174 5.950 0.090 28 0 "[ . 1 . 2 . 3]" 1
681 1 101 VAL HA 1 102 VAL H 3.220 . 3.220 2.149 2.068 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 101 VAL HB 1 102 VAL H 5.160 . 5.160 4.129 3.973 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 101 VAL HB 1 120 GLN H 3.890 . 3.890 3.278 2.898 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 101 VAL QG 1 102 VAL H 4.230 . 4.230 2.790 2.662 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 101 VAL QG 1 120 GLN H 5.420 . 5.420 3.853 3.605 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 101 VAL QG 1 122 MET H 5.280 . 5.280 3.640 3.145 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 101 VAL MG1 1 102 VAL H 5.400 . 5.400 2.834 2.714 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 101 VAL MG2 1 102 VAL H 5.400 . 5.400 4.174 3.851 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 101 VAL N 1 120 GLN O 3.300 . 3.300 2.761 2.702 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 101 VAL O 1 120 GLN H 2.300 . 2.300 1.931 1.855 2.019 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 101 VAL O 1 120 GLN N 3.300 . 3.300 2.860 2.747 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 102 VAL H 1 102 VAL HB 3.760 . 3.760 3.104 2.606 3.796 0.036 19 0 "[ . 1 . 2 . 3]" 1
693 1 102 VAL HA 1 103 ASP H 3.160 . 3.160 2.113 2.008 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 102 VAL HA 1 119 ALA H 4.850 . 4.850 4.828 4.476 4.952 0.102 8 0 "[ . 1 . 2 . 3]" 1
695 1 102 VAL HA 1 119 ALA HA 2.400 . 2.400 2.294 2.122 2.421 0.021 10 0 "[ . 1 . 2 . 3]" 1
696 1 102 VAL HA 1 120 GLN H 3.600 . 3.600 3.625 3.550 3.690 0.090 29 0 "[ . 1 . 2 . 3]" 1
697 1 102 VAL HB 1 103 ASP H 4.360 . 4.360 3.761 2.941 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 102 VAL QG 1 119 ALA H 7.370 . 7.370 4.835 4.264 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 102 VAL QG 1 120 GLN H 6.090 . 6.090 3.728 3.289 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 102 VAL MG1 1 103 ASP H 5.230 . 5.230 3.195 2.600 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 102 VAL MG2 1 103 ASP H 5.230 . 5.230 4.057 3.812 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 103 ASP H 1 103 ASP HB2 3.740 . 3.740 2.849 2.300 3.789 0.049 24 0 "[ . 1 . 2 . 3]" 1
703 1 103 ASP H 1 103 ASP HB3 3.740 . 3.740 2.410 2.122 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 103 ASP H 1 104 VAL H 4.660 . 4.660 4.463 4.319 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 103 ASP H 1 119 ALA HA 3.600 . 3.600 3.217 2.896 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 103 ASP H 1 119 ALA MB 4.950 . 4.950 3.825 3.023 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 103 ASP H 1 120 GLN H 5.160 . 5.160 5.008 4.740 5.249 0.089 24 0 "[ . 1 . 2 . 3]" 1
708 1 103 ASP HA 1 104 VAL H 3.300 . 3.300 2.149 2.053 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 103 ASP HA 1 105 GLY H 4.510 . 4.510 3.565 3.277 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 104 VAL H 1 104 VAL MG1 4.740 . 4.740 2.930 2.288 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 104 VAL H 1 104 VAL MG2 4.740 . 4.740 2.233 2.001 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 104 VAL H 1 105 GLY H 3.730 . 3.730 2.082 1.803 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 104 VAL HB 1 105 GLY H 4.540 . 4.540 4.349 4.046 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 104 VAL QG 1 105 GLY H 5.950 . 5.950 3.144 2.640 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 104 VAL MG1 1 105 GLY H 5.440 . 5.440 4.248 3.404 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 104 VAL MG2 1 105 GLY H 5.440 . 5.440 3.272 2.672 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 105 GLY H 1 106 SER H 3.850 . 3.850 2.725 1.798 3.486 0.002 6 0 "[ . 1 . 2 . 3]" 1
718 1 105 GLY H 1 106 SER QB 5.830 . 5.830 4.573 3.550 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 106 SER H 1 107 LEU H 4.620 . 4.620 3.167 2.551 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 107 LEU H 1 107 LEU MD1 5.590 . 5.590 3.384 1.785 4.351 0.015 8 0 "[ . 1 . 2 . 3]" 1
721 1 107 LEU H 1 107 LEU MD2 5.590 . 5.590 3.199 1.779 4.303 0.021 30 0 "[ . 1 . 2 . 3]" 1
722 1 107 LEU H 1 108 ASN H 4.270 . 4.270 2.423 1.848 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 107 LEU QB 1 108 ASN H 4.860 . 4.860 2.858 2.016 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 107 LEU HB2 1 108 ASN H 4.670 . 4.670 3.378 2.634 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 107 LEU HB3 1 108 ASN H 4.670 . 4.670 3.491 2.029 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 108 ASN H 1 109 GLY H 3.650 . 3.650 2.192 1.778 2.486 0.022 14 0 "[ . 1 . 2 . 3]" 1
727 1 108 ASN QB 1 109 GLY H 4.650 . 4.650 3.123 2.860 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 108 ASN HB2 1 109 GLY H 4.320 . 4.320 3.710 2.982 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 108 ASN HB3 1 109 GLY H 4.320 . 4.320 3.622 2.932 4.330 0.010 16 0 "[ . 1 . 2 . 3]" 1
730 1 109 GLY H 1 110 THR H 3.860 . 3.860 3.132 2.158 3.898 0.038 29 0 "[ . 1 . 2 . 3]" 1
731 1 109 GLY H 1 110 THR HA 5.390 . 5.390 4.868 4.415 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 110 THR H 1 110 THR HB 3.790 . 3.790 2.538 2.442 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 110 THR HA 1 111 TYR H 3.360 . 3.360 2.207 2.124 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 110 THR MG 1 111 TYR H 4.690 . 4.690 2.755 2.470 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 111 TYR H 1 128 ILE HA 4.800 . 4.800 4.702 4.227 4.882 0.082 9 0 "[ . 1 . 2 . 3]" 1
736 1 111 TYR H 1 129 GLN H 3.600 . 3.600 3.194 2.521 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 111 TYR H 1 129 GLN QB 5.280 . 5.280 3.555 2.351 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 111 TYR H 1 129 GLN O 2.300 . 2.300 2.138 1.834 2.352 0.052 23 0 "[ . 1 . 2 . 3]" 1
739 1 111 TYR HA 1 112 VAL H 3.250 . 3.250 2.150 2.061 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 111 TYR HA 1 117 ARG H 3.950 . 3.950 3.132 2.612 3.957 0.007 3 0 "[ . 1 . 2 . 3]" 1
741 1 111 TYR QB 1 112 VAL H 4.710 . 4.710 3.097 2.796 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 111 TYR QB 1 129 GLN H 4.860 . 4.860 2.915 2.253 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 111 TYR HB2 1 112 VAL H 4.630 . 4.630 4.129 3.931 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 111 TYR HB2 1 129 GLN H 4.650 . 4.650 3.044 2.293 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 111 TYR HB3 1 112 VAL H 4.630 . 4.630 3.203 2.856 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 111 TYR HB3 1 129 GLN H 4.650 . 4.650 3.969 2.615 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 111 TYR QD 1 112 VAL H 6.590 . 6.590 4.149 3.678 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 111 TYR QD 1 115 GLU H 6.400 . 6.400 4.146 3.245 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 111 TYR QD 1 117 ARG H 6.940 . 6.940 4.562 3.284 5.769 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 111 TYR QD 1 129 GLN H 7.190 . 7.190 4.617 3.615 5.573 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 111 TYR QE 1 112 VAL H 7.630 . 7.630 6.160 5.334 6.589 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 111 TYR N 1 129 GLN O 3.300 . 3.300 3.042 2.744 3.307 0.007 1 0 "[ . 1 . 2 . 3]" 1
753 1 111 TYR O 1 129 GLN H 2.300 . 2.300 1.805 1.724 1.967 0.076 3 0 "[ . 1 . 2 . 3]" 1
754 1 111 TYR O 1 129 GLN N 3.300 . 3.300 2.760 2.697 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 112 VAL H 1 112 VAL HB 3.770 . 3.770 2.712 2.570 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 112 VAL H 1 115 GLU H 3.860 . 3.860 2.948 2.807 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 112 VAL H 1 115 GLU O 2.300 . 2.300 1.835 1.736 1.962 0.064 8 0 "[ . 1 . 2 . 3]" 1
758 1 112 VAL HA 1 113 ASN H 3.410 . 3.410 2.177 2.073 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 112 VAL HA 1 128 ILE HA 2.400 . 2.400 2.372 2.146 2.490 0.090 9 0 "[ . 1 . 2 . 3]" 1
760 1 112 VAL HA 1 129 GLN H 4.490 . 4.490 3.406 3.081 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 112 VAL QG 1 113 ASN H 4.450 . 4.450 2.673 2.313 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 112 VAL QG 1 113 ASN QD 7.390 . 7.390 3.516 1.799 5.128 0.001 5 0 "[ . 1 . 2 . 3]" 1
763 1 112 VAL QG 1 115 GLU H 6.360 . 6.360 4.356 4.216 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 112 VAL QG 1 120 GLN QE 6.990 . 6.990 3.093 1.790 4.300 0.010 26 0 "[ . 1 . 2 . 3]" 1
765 1 112 VAL QG 1 127 GLU H 5.310 . 5.310 4.059 3.242 5.311 0.001 6 0 "[ . 1 . 2 . 3]" 1
766 1 112 VAL QG 1 129 GLN H 5.470 . 5.470 4.004 3.523 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 112 VAL MG1 1 113 ASN H 5.390 . 5.390 2.710 2.325 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 112 VAL MG2 1 113 ASN H 5.390 . 5.390 4.130 4.014 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 112 VAL N 1 115 GLU O 3.300 . 3.300 2.768 2.710 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 112 VAL O 1 115 GLU H 2.300 . 2.300 2.054 1.915 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 112 VAL O 1 115 GLU N 3.300 . 3.300 2.979 2.846 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 113 ASN H 1 114 ARG H 4.400 . 4.400 2.671 2.541 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 113 ASN H 1 127 GLU H 4.570 . 4.570 3.270 2.761 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 113 ASN H 1 127 GLU HB2 5.410 . 5.410 4.501 3.437 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 113 ASN H 1 127 GLU QB 5.530 . 5.530 4.200 3.339 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 113 ASN H 1 127 GLU HB3 5.410 . 5.410 5.149 4.115 5.559 0.149 6 0 "[ . 1 . 2 . 3]" 1
777 1 113 ASN H 1 128 ILE HA 4.400 . 4.400 3.387 2.914 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 113 ASN HA 1 127 GLU H 4.470 . 4.470 3.178 2.086 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 113 ASN QB 1 114 ARG H 5.190 . 5.190 3.850 3.765 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 113 ASN QB 1 115 GLU H 5.150 . 5.150 3.511 2.899 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 113 ASN QD 1 126 ASP HA 4.870 . 4.870 3.230 2.230 4.913 0.043 30 0 "[ . 1 . 2 . 3]" 1
782 1 113 ASN QD 1 127 GLU H 5.300 . 5.300 3.542 1.845 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 114 ARG H 1 114 ARG HG2 4.400 . 4.400 3.851 2.911 4.651 0.251 22 0 "[ . 1 . 2 . 3]" 1
784 1 114 ARG H 1 114 ARG QG 4.730 . 4.730 3.011 2.631 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 114 ARG H 1 114 ARG HG3 4.400 . 4.400 3.334 2.706 4.608 0.208 21 0 "[ . 1 . 2 . 3]" 1
786 1 114 ARG H 1 115 GLU H 3.890 . 3.890 2.805 2.641 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 115 GLU H 1 115 GLU HB2 3.760 . 3.760 2.511 2.274 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 115 GLU H 1 115 GLU HB3 3.760 . 3.760 3.671 3.525 3.779 0.019 1 0 "[ . 1 . 2 . 3]" 1
789 1 115 GLU H 1 115 GLU QG 4.640 . 4.640 2.828 2.495 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 115 GLU H 1 116 PRO HD2 5.070 . 5.070 4.925 4.754 5.117 0.047 24 0 "[ . 1 . 2 . 3]" 1
791 1 115 GLU H 1 116 PRO QD 5.280 . 5.280 4.312 4.133 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 115 GLU H 1 116 PRO HD3 5.070 . 5.070 4.794 4.363 5.074 0.004 22 0 "[ . 1 . 2 . 3]" 1
793 1 116 PRO HA 1 117 ARG H 2.800 . 2.800 2.189 2.131 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 117 ARG H 1 117 ARG QD 5.630 . 5.630 4.578 4.072 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 117 ARG HA 1 118 ASN H 3.460 . 3.460 2.248 2.144 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 117 ARG QB 1 119 ALA H 5.890 . 5.890 4.036 2.385 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 117 ARG QD 1 118 ASN H 4.800 . 4.800 2.840 2.282 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 117 ARG QD 1 119 ALA H 4.710 . 4.710 3.427 2.765 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 117 ARG HD2 1 118 ASN H 4.560 . 4.560 3.772 2.298 4.595 0.035 23 0 "[ . 1 . 2 . 3]" 1
800 1 117 ARG HD2 1 119 ALA H 4.370 . 4.370 3.910 3.118 4.457 0.087 13 0 "[ . 1 . 2 . 3]" 1
801 1 117 ARG HD3 1 118 ASN H 4.560 . 4.560 3.052 2.333 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 117 ARG HD3 1 119 ALA H 4.370 . 4.370 3.933 2.792 4.510 0.140 19 0 "[ . 1 . 2 . 3]" 1
803 1 117 ARG QG 1 118 ASN H 4.760 . 4.760 3.021 1.871 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 117 ARG QG 1 119 ALA H 5.260 . 5.260 3.334 2.220 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 117 ARG HG2 1 118 ASN H 4.450 . 4.450 4.172 1.890 4.494 0.044 28 0 "[ . 1 . 2 . 3]" 1
806 1 117 ARG HG3 1 118 ASN H 4.450 . 4.450 3.260 1.985 4.520 0.070 9 0 "[ . 1 . 2 . 3]" 1
807 1 118 ASN H 1 118 ASN HB2 4.020 . 4.020 2.690 2.379 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 118 ASN H 1 118 ASN HB3 4.020 . 4.020 3.353 2.402 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 118 ASN H 1 119 ALA H 3.300 . 3.300 2.186 1.765 2.652 0.035 29 0 "[ . 1 . 2 . 3]" 1
810 1 118 ASN QB 1 119 ALA H 4.060 . 4.060 2.567 2.105 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 118 ASN HB2 1 119 ALA H 3.670 . 3.670 2.984 2.167 3.766 0.096 19 0 "[ . 1 . 2 . 3]" 1
812 1 118 ASN HB3 1 119 ALA H 3.670 . 3.670 3.294 2.118 3.745 0.075 29 0 "[ . 1 . 2 . 3]" 1
813 1 119 ALA H 1 120 GLN H 4.580 . 4.580 4.221 4.063 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 119 ALA HA 1 120 GLN H 3.080 . 3.080 2.170 2.100 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 119 ALA MB 1 120 GLN H 4.320 . 4.320 2.933 2.817 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 119 ALA MB 1 121 VAL H 6.530 . 6.530 5.256 4.901 5.633 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 120 GLN HA 1 121 VAL H 2.850 . 2.850 2.222 2.152 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 120 GLN QB 1 121 VAL H 5.150 . 5.150 3.560 2.420 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 120 GLN QE 1 121 VAL H 4.870 . 4.870 3.283 2.075 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 120 GLN QE 1 121 VAL MG1 7.230 . 7.230 4.615 3.775 5.542 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 120 GLN QE 1 121 VAL QG 7.390 . 7.390 4.098 3.145 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 120 GLN QE 1 121 VAL MG2 7.230 . 7.230 4.604 3.365 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 120 GLN HE21 1 121 VAL H 4.200 . 4.200 3.706 2.118 4.302 0.102 10 0 "[ . 1 . 2 . 3]" 1
824 1 120 GLN HE22 1 121 VAL H 4.200 . 4.200 3.822 2.979 4.435 0.235 7 0 "[ . 1 . 2 . 3]" 1
825 1 120 GLN QG 1 121 VAL H 4.500 . 4.500 3.064 1.773 3.671 0.027 14 0 "[ . 1 . 2 . 3]" 1
826 1 121 VAL H 1 121 VAL HB 2.940 . 2.940 2.546 2.495 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 121 VAL H 1 121 VAL QG 3.940 . 3.940 2.268 2.032 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 121 VAL HA 1 122 MET H 3.190 . 3.190 2.179 2.093 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 121 VAL QG 1 122 MET H 4.050 . 4.050 2.690 2.421 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 122 MET H 1 122 MET HB2 4.070 . 4.070 2.815 2.186 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 122 MET H 1 122 MET HB3 4.070 . 4.070 2.824 2.333 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 122 MET H 1 122 MET ME 5.290 . 5.290 4.295 3.370 5.457 0.167 15 0 "[ . 1 . 2 . 3]" 1
833 1 122 MET H 1 122 MET HG2 5.060 . 5.060 3.787 1.917 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 122 MET H 1 122 MET HG3 5.060 . 5.060 3.964 2.223 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 122 MET HA 1 123 GLN H 2.950 . 2.950 2.137 2.042 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 122 MET ME 1 123 GLN H 6.370 . 6.370 4.599 3.264 6.264 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 123 GLN H 1 123 GLN HB2 3.790 . 3.790 2.994 2.213 3.812 0.022 4 0 "[ . 1 . 2 . 3]" 1
838 1 123 GLN H 1 123 GLN HB3 3.790 . 3.790 3.370 2.117 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 123 GLN H 1 123 GLN HG2 4.350 . 4.350 3.268 1.970 4.446 0.096 12 0 "[ . 1 . 2 . 3]" 1
840 1 123 GLN H 1 123 GLN QG 4.690 . 4.690 2.613 1.927 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 123 GLN H 1 123 GLN HG3 4.350 . 4.350 3.081 2.031 4.442 0.092 16 0 "[ . 1 . 2 . 3]" 1
842 1 123 GLN H 1 126 ASP QB 5.100 . 5.100 2.803 2.148 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 123 GLN HA 1 124 THR H 2.830 . 2.830 2.335 2.116 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 123 GLN QB 1 124 THR H 4.140 . 4.140 2.711 2.449 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 123 GLN QG 1 124 THR H 4.450 . 4.450 3.864 2.248 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 124 THR H 1 124 THR HB 3.090 . 3.090 2.724 2.507 3.254 0.164 17 0 "[ . 1 . 2 . 3]" 1
847 1 124 THR H 1 124 THR MG 4.250 . 4.250 2.249 1.816 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 124 THR H 1 125 GLY H 4.810 . 4.810 4.522 4.369 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 124 THR H 1 137 PHE QD 6.040 . 6.040 3.992 3.131 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 124 THR H 1 137 PHE QE 6.680 . 6.680 3.884 3.078 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 124 THR HA 1 125 GLY H 3.300 . 3.300 2.162 2.095 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 124 THR HA 1 126 ASP H 3.750 . 3.750 3.261 3.010 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 124 THR HA 1 139 ALA H 4.530 . 4.530 3.672 2.330 4.584 0.054 26 0 "[ . 1 . 2 . 3]" 1
854 1 124 THR HB 1 139 ALA H 4.380 . 4.380 3.032 1.981 4.444 0.064 12 0 "[ . 1 . 2 . 3]" 1
855 1 124 THR MG 1 125 GLY H 5.170 . 5.170 3.846 2.886 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 124 THR MG 1 126 ASP H 6.070 . 6.070 4.875 4.552 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 125 GLY H 1 126 ASP H 3.380 . 3.380 2.357 2.197 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 125 GLY H 1 136 VAL QG 5.290 . 5.290 3.764 3.087 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 125 GLY H 1 137 PHE H 4.440 . 4.440 4.087 3.668 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 125 GLY H 1 137 PHE QD 6.450 . 6.450 3.522 2.949 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 125 GLY H 1 138 LEU HA 4.040 . 4.040 2.792 2.420 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 125 GLY H 1 138 LEU QD 6.180 . 6.180 3.095 2.193 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 125 GLY H 1 139 ALA H 4.980 . 4.980 4.367 3.762 5.030 0.050 24 0 "[ . 1 . 2 . 3]" 1
864 1 126 ASP H 1 126 ASP HB2 3.610 . 3.610 2.522 2.262 3.687 0.077 21 0 "[ . 1 . 2 . 3]" 1
865 1 126 ASP H 1 126 ASP QB 3.890 . 3.890 2.329 2.185 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 126 ASP H 1 126 ASP HB3 3.610 . 3.610 3.028 2.400 3.638 0.028 17 0 "[ . 1 . 2 . 3]" 1
867 1 126 ASP H 1 127 GLU H 4.660 . 4.660 4.558 4.465 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 126 ASP H 1 137 PHE H 4.800 . 4.800 3.968 3.561 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 126 ASP H 1 137 PHE QB 5.180 . 5.180 3.288 2.911 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 126 ASP H 1 137 PHE QD 6.200 . 6.200 3.559 2.965 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 126 ASP HA 1 127 GLU H 3.090 . 3.090 2.261 2.131 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 126 ASP QB 1 127 GLU H 4.930 . 4.930 3.085 2.322 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 126 ASP O 1 137 PHE H 2.300 . 2.300 1.962 1.788 2.241 0.012 1 0 "[ . 1 . 2 . 3]" 1
874 1 126 ASP O 1 137 PHE N 3.300 . 3.300 2.937 2.767 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 127 GLU H 1 127 GLU HB2 3.860 . 3.860 3.179 2.453 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 127 GLU H 1 127 GLU HB3 3.860 . 3.860 3.381 2.218 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 127 GLU H 1 127 GLU HG2 4.160 . 4.160 3.258 2.022 4.301 0.141 1 0 "[ . 1 . 2 . 3]" 1
878 1 127 GLU H 1 127 GLU HG3 4.160 . 4.160 3.012 2.177 4.182 0.022 1 0 "[ . 1 . 2 . 3]" 1
879 1 127 GLU H 1 128 ILE H 4.660 . 4.660 4.320 4.174 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 127 GLU HA 1 128 ILE H 3.360 . 3.360 2.113 2.008 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 127 GLU HA 1 136 VAL HA 2.400 . 2.400 2.350 2.153 2.519 0.119 26 0 "[ . 1 . 2 . 3]" 1
882 1 127 GLU QB 1 128 ILE H 4.610 . 4.610 2.997 2.593 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 127 GLU HB2 1 128 ILE H 4.390 . 4.390 3.551 2.639 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 127 GLU HB3 1 128 ILE H 4.390 . 4.390 3.577 2.802 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 127 GLU QG 1 128 ILE H 5.700 . 5.700 4.039 2.951 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 127 GLU HG2 1 128 ILE H 5.500 . 5.500 4.610 3.955 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 127 GLU HG3 1 128 ILE H 5.500 . 5.500 4.673 2.986 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 128 ILE H 1 128 ILE HB 4.010 . 4.010 2.637 2.485 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 128 ILE H 1 128 ILE MD 5.460 . 5.460 3.544 1.977 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 128 ILE H 1 128 ILE HG12 4.370 . 4.370 3.730 2.396 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 128 ILE H 1 128 ILE QG 4.590 . 4.590 2.652 2.099 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 128 ILE H 1 129 GLN H 4.640 . 4.640 4.290 4.172 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 128 ILE H 1 135 LEU H 4.800 . 4.800 3.075 2.816 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 128 ILE H 1 135 LEU O 2.300 . 2.300 1.804 1.745 1.911 0.055 29 0 "[ . 1 . 2 . 3]" 1
895 1 128 ILE H 1 136 VAL QG 5.620 . 5.620 4.041 3.569 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 128 ILE H 1 137 PHE H 4.800 . 4.800 4.319 4.014 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 128 ILE HA 1 129 GLN H 3.420 . 3.420 2.143 2.048 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 128 ILE MG 1 129 GLN H 4.690 . 4.690 2.707 2.513 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 128 ILE N 1 135 LEU O 3.300 . 3.300 2.764 2.712 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 128 ILE O 1 135 LEU H 2.300 . 2.300 1.802 1.742 2.021 0.058 12 0 "[ . 1 . 2 . 3]" 1
901 1 128 ILE O 1 135 LEU N 3.300 . 3.300 2.771 2.704 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 129 GLN HA 1 130 ILE H 3.580 . 3.580 2.087 1.987 2.212 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 129 GLN HA 1 134 ARG HA 2.800 . 2.800 2.366 1.889 2.831 0.031 15 0 "[ . 1 . 2 . 3]" 1
904 1 129 GLN QE 1 132 LYS HA 5.270 . 5.270 3.384 1.934 5.319 0.049 24 0 "[ . 1 . 2 . 3]" 1
905 1 130 ILE H 1 130 ILE MD 5.410 . 5.410 3.619 2.303 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 130 ILE H 1 130 ILE QG 5.060 . 5.060 2.994 2.300 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 130 ILE H 1 131 GLY H 4.650 . 4.650 4.053 3.897 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 130 ILE H 1 133 PHE O 2.300 . 2.300 1.970 1.776 2.344 0.044 9 0 "[ . 1 . 2 . 3]" 1
909 1 130 ILE MG 1 131 GLY H 5.440 . 5.440 3.163 2.501 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 130 ILE N 1 133 PHE O 3.300 . 3.300 2.883 2.721 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 130 ILE O 1 133 PHE H 2.300 . 2.300 1.959 1.748 2.334 0.052 27 0 "[ . 1 . 2 . 3]" 1
912 1 130 ILE O 1 133 PHE N 3.300 . 3.300 2.907 2.678 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 131 GLY H 1 132 LYS H 4.800 . 4.800 4.152 3.740 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 132 LYS H 1 132 LYS HB2 4.180 . 4.180 3.662 2.520 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 132 LYS H 1 132 LYS HB3 4.180 . 4.180 3.328 2.850 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 132 LYS H 1 132 LYS HG2 4.010 . 4.010 2.597 1.866 4.024 0.014 12 0 "[ . 1 . 2 . 3]" 1
917 1 132 LYS H 1 132 LYS HG3 4.010 . 4.010 3.156 2.162 4.069 0.059 10 0 "[ . 1 . 2 . 3]" 1
918 1 132 LYS H 1 133 PHE H 3.950 . 3.950 2.060 1.732 2.436 0.068 24 0 "[ . 1 . 2 . 3]" 1
919 1 132 LYS HB2 1 133 PHE H 4.830 . 4.830 4.245 3.532 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 132 LYS HB3 1 133 PHE H 4.830 . 4.830 4.470 4.200 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 132 LYS QG 1 133 PHE H 4.770 . 4.770 3.488 2.595 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 133 PHE H 1 133 PHE HB2 3.760 . 3.760 3.143 2.308 3.824 0.064 30 0 "[ . 1 . 2 . 3]" 1
923 1 133 PHE H 1 133 PHE HB3 3.760 . 3.760 3.419 3.003 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 133 PHE H 1 133 PHE QD 5.530 . 5.530 2.642 2.056 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 133 PHE H 1 134 ARG H 4.640 . 4.640 4.457 4.332 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 133 PHE QB 1 134 ARG H 5.040 . 5.040 2.595 1.990 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 133 PHE HB2 1 134 ARG H 4.740 . 4.740 3.147 2.003 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 133 PHE HB3 1 134 ARG H 4.740 . 4.740 3.327 2.460 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 134 ARG H 1 134 ARG HG2 5.420 . 5.420 3.569 2.014 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 134 ARG H 1 134 ARG HG3 5.420 . 5.420 3.930 2.451 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 134 ARG HA 1 135 LEU H 3.610 . 3.610 2.115 1.950 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 135 LEU H 1 135 LEU MD1 5.300 . 5.300 2.979 2.323 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 135 LEU H 1 135 LEU MD2 5.300 . 5.300 3.906 2.268 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 135 LEU H 1 135 LEU HG 4.500 . 4.500 3.669 2.388 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 135 LEU HA 1 136 VAL H 3.290 . 3.290 2.203 2.132 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 135 LEU QB 1 136 VAL H 4.520 . 4.520 2.937 2.847 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 135 LEU QD 1 136 VAL H 6.390 . 6.390 4.026 3.522 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 135 LEU HG 1 136 VAL H 5.060 . 5.060 4.655 4.079 5.135 0.075 3 0 "[ . 1 . 2 . 3]" 1
939 1 136 VAL H 1 136 VAL HB 3.360 . 3.360 2.680 2.593 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 136 VAL H 1 137 PHE H 4.480 . 4.480 4.335 4.249 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 136 VAL H 1 138 LEU QD 7.210 . 7.210 4.779 3.820 6.621 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 136 VAL HA 1 137 PHE H 3.370 . 3.370 2.149 2.082 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 136 VAL HB 1 137 PHE H 4.420 . 4.420 4.102 3.883 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 136 VAL QG 1 137 PHE H 4.540 . 4.540 2.637 2.349 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 136 VAL QG 1 138 LEU H 5.700 . 5.700 4.304 3.984 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 137 PHE H 1 137 PHE HB2 4.030 . 4.030 2.775 2.582 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 137 PHE H 1 137 PHE HB3 4.030 . 4.030 2.411 2.262 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 137 PHE H 1 138 LEU QD 7.540 . 7.540 3.951 3.198 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 137 PHE HA 1 138 LEU H 3.110 . 3.110 2.174 2.096 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 137 PHE QB 1 138 LEU H 4.900 . 4.900 3.819 3.690 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 137 PHE HB2 1 138 LEU H 4.570 . 4.570 4.307 4.142 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 137 PHE HB3 1 138 LEU H 4.570 . 4.570 4.270 4.097 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 137 PHE QD 1 138 LEU H 6.020 . 6.020 3.649 3.181 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 138 LEU H 1 138 LEU MD1 5.430 . 5.430 3.630 2.073 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 138 LEU H 1 138 LEU MD2 5.430 . 5.430 3.590 1.969 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 138 LEU H 1 138 LEU HG 4.940 . 4.940 3.897 3.029 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 138 LEU H 1 139 ALA H 4.700 . 4.700 4.331 4.202 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 138 LEU HA 1 139 ALA H 3.130 . 3.130 2.220 2.077 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 138 LEU QD 1 139 ALA H 5.940 . 5.940 3.560 2.315 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 138 LEU HG 1 139 ALA H 5.060 . 5.060 4.643 2.544 5.130 0.070 2 0 "[ . 1 . 2 . 3]" 1
961 1 139 ALA H 1 140 GLY H 4.800 . 4.800 4.458 4.191 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 139 ALA HA 1 140 GLY H 3.160 . 3.160 2.194 2.088 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 139 ALA MB 1 140 GLY H 4.490 . 4.490 2.991 2.381 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 140 GLY H 1 141 PRO HD2 5.500 . 5.500 3.994 1.751 5.348 0.049 2 0 "[ . 1 . 2 . 3]" 1
965 1 140 GLY H 1 141 PRO HD3 5.500 . 5.500 3.983 1.906 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 141 PRO HA 1 142 ALA H 2.770 . 2.770 2.197 1.975 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 141 PRO QB 1 143 GLU H 4.890 . 4.890 3.099 1.890 4.959 0.069 22 0 "[ . 1 . 2 . 3]" 1
968 1 141 PRO HB2 1 142 ALA H 3.450 . 3.450 3.186 2.682 3.512 0.062 13 0 "[ . 1 . 2 . 3]" 1
969 1 141 PRO HB3 1 142 ALA H 3.450 . 3.450 3.296 2.937 3.530 0.080 7 0 "[ . 1 . 2 . 3]" 1
970 1 142 ALA H 1 143 GLU H 3.250 . 3.250 2.839 1.791 3.410 0.160 26 0 "[ . 1 . 2 . 3]" 1
971 1 142 ALA HA 1 143 GLU H 2.970 . 2.970 2.593 2.135 3.086 0.116 21 0 "[ . 1 . 2 . 3]" 1
972 1 142 ALA MB 1 143 GLU H 4.880 . 4.880 3.591 3.178 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 143 GLU H 1 143 GLU HB2 3.310 . 3.310 2.747 2.183 3.468 0.158 9 0 "[ . 1 . 2 . 3]" 1
974 1 143 GLU H 1 143 GLU HB3 3.310 . 3.310 2.832 2.353 3.451 0.141 27 0 "[ . 1 . 2 . 3]" 1
975 1 143 GLU H 1 143 GLU HG2 5.310 . 5.310 3.936 1.939 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 143 GLU H 1 143 GLU HG3 5.310 . 5.310 4.103 2.182 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
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