NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389072 |
1nee   |
5312 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nee
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 642
_Distance_constraint_stats_list.Viol_count 1172
_Distance_constraint_stats_list.Viol_total 29136.906
_Distance_constraint_stats_list.Viol_max 16.013
_Distance_constraint_stats_list.Viol_rms 0.9197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1135
_Distance_constraint_stats_list.Viol_average_violations_only 1.2430
_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 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.073 0.051 16 0 "[ . 1 . 2]"
1 36 VAL 17.437 1.126 14 14 "[*** **** * -+.*** *]"
1 37 ILE 2.214 0.474 9 0 "[ . 1 . 2]"
1 38 GLN 0.051 0.025 2 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 80.170 3.545 10 20 [***-*****+**********]
1 42 THR 44.905 1.307 4 20 [*-*+****************]
1 43 PHE 3.811 0.326 5 0 "[ . 1 . 2]"
1 44 ILE 18.612 1.126 14 14 "[*** **** * -+.*** *]"
1 45 GLN 0.015 0.015 6 0 "[ . 1 . 2]"
1 46 ASN 0.303 0.071 20 0 "[ . 1 . 2]"
1 47 PHE 1.798 0.139 1 0 "[ . 1 . 2]"
1 48 ARG 0.206 0.123 8 0 "[ . 1 . 2]"
1 49 GLU 1.721 0.114 6 0 "[ . 1 . 2]"
1 50 VAL 0.049 0.049 14 0 "[ . 1 . 2]"
1 51 ALA 0.020 0.011 9 0 "[ . 1 . 2]"
1 52 ASP 0.990 0.099 19 0 "[ . 1 . 2]"
1 53 ALA 0.049 0.049 14 0 "[ . 1 . 2]"
1 54 LEU 9.364 0.214 4 0 "[ . 1 . 2]"
1 55 ASN 1.014 0.127 16 0 "[ . 1 . 2]"
1 56 ARG 0.483 0.068 1 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PRO 0.039 0.019 6 0 "[ . 1 . 2]"
1 59 GLN 0.341 0.079 3 0 "[ . 1 . 2]"
1 60 HIS 1.508 0.166 12 0 "[ . 1 . 2]"
1 61 LEU 2.996 0.237 2 0 "[ . 1 . 2]"
1 62 LEU 1.371 0.166 12 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 8.084 0.824 2 5 "[ +* .* *1 . - 2]"
1 65 LEU 2.715 0.220 6 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 289.976 3.762 20 20 [****************-**+]
1 70 GLY 0.055 0.025 13 0 "[ . 1 . 2]"
1 71 THR 17.705 0.996 8 19 "[*-*****+*** ********]"
1 72 ALA 21.994 0.667 19 20 [********-*********+*]
1 73 GLY 13.375 0.589 10 20 [****-****+**********]
1 74 ASN 1.965 0.153 17 0 "[ . 1 . 2]"
1 75 LEU 0.164 0.039 1 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 5.476 0.786 20 3 "[ * . 1 . - +]"
1 80 ALA 0.351 0.058 3 0 "[ . 1 . 2]"
1 81 ILE 0.511 0.326 5 0 "[ . 1 . 2]"
1 82 LEU 62.249 1.307 4 20 [*-*+****************]
1 83 GLN 9.731 0.667 19 7 "[ *.* -1 * .** +2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 1.464 0.416 13 0 "[ . 1 . 2]"
1 86 PHE 2.405 0.164 4 0 "[ . 1 . 2]"
1 87 THR 0.278 0.167 5 0 "[ . 1 . 2]"
1 88 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.126 0.036 14 0 "[ . 1 . 2]"
1 90 LEU 0.019 0.011 3 0 "[ . 1 . 2]"
1 91 ILE 206.356 3.762 20 20 [*****************-*+]
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 2.977 0.237 2 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 TYR 1.732 0.137 14 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 2.851 0.154 6 0 "[ . 1 . 2]"
1 102 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 CYS 1.119 0.154 6 0 "[ . 1 . 2]"
1 106 HIS 31.577 1.778 20 20 [***************-***+]
1 107 GLU 31.179 1.409 13 20 [************+***-***]
1 108 CYS 50.496 1.778 20 20 [********-**********+]
1 109 ASN 3.370 0.389 10 0 "[ . 1 . 2]"
1 112 ASP 6.228 1.918 17 4 "[ * . 1 . + -*]"
1 113 THR 9.294 1.918 17 4 "[ * . 1 . + -*]"
1 114 ARG 12.633 1.005 2 9 "[*+ *. 1- ** * **]"
1 115 ILE 12.280 1.005 2 8 "[*+ *. 1- ** **]"
1 116 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ARG 189.205 10.992 10 20 [*********+******-***]
1 118 GLU 3.558 0.280 15 0 "[ . 1 . 2]"
1 120 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 260.156 16.013 4 20 [***+**********-*****]
1 122 SER 0.226 0.074 3 0 "[ . 1 . 2]"
1 123 LEU 0.226 0.074 3 0 "[ . 1 . 2]"
1 124 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 CYS 10.963 0.588 7 14 "[* * - +**** ** ****]"
1 127 GLU 0.144 0.144 20 0 "[ . 1 . 2]"
1 128 ALA 469.407 15.963 17 20 [*******-********+***]
1 129 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 GLY 0.410 0.209 14 0 "[ . 1 . 2]"
1 131 ALA 40.448 1.706 17 20 [****-***********+***]
1 132 LYS 0.384 0.226 7 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 LEU 1.787 0.894 16 1 "[ . 1 .+ 2]"
1 136 LYS 4.324 0.894 16 1 "[ . 1 .+ 2]"
1 137 ASN 214.877 14.317 17 20 [**********-*****+***]
1 138 VAL 660.129 16.013 4 20 [***+*-**************]
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 34 TYR H 1 34 TYR HA 3.000 . 4.100 2.826 2.273 2.933 . 0 0 "[ . 1 . 2]" 1
2 1 34 TYR H 1 34 TYR QB 2.600 . 3.500 3.139 2.364 3.331 . 0 0 "[ . 1 . 2]" 1
3 1 34 TYR HA 1 34 TYR HB2 2.700 . 3.600 2.472 2.354 2.817 . 0 0 "[ . 1 . 2]" 1
4 1 34 TYR HA 1 34 TYR HB3 2.700 . 3.600 2.444 2.217 2.569 . 0 0 "[ . 1 . 2]" 1
5 1 34 TYR HA 1 35 SER H 2.600 . 3.000 2.402 2.119 2.779 . 0 0 "[ . 1 . 2]" 1
6 1 35 SER CA 1 36 VAL H 2.600 . 3.000 2.537 2.519 2.559 . 0 0 "[ . 1 . 2]" 1
7 1 35 SER H 1 35 SER HB2 3.500 . 5.000 2.898 2.109 3.665 . 0 0 "[ . 1 . 2]" 1
8 1 35 SER H 1 35 SER HB3 3.800 . 5.600 3.149 2.292 3.617 . 0 0 "[ . 1 . 2]" 1
9 1 35 SER H 1 91 ILE HB 3.200 . 4.000 3.831 3.240 4.051 0.051 16 0 "[ . 1 . 2]" 1
10 1 35 SER HA 1 35 SER HB2 2.700 . 3.600 2.770 2.354 3.030 . 0 0 "[ . 1 . 2]" 1
11 1 35 SER HA 1 35 SER HB3 2.700 . 3.600 2.522 2.240 3.025 . 0 0 "[ . 1 . 2]" 1
12 1 35 SER HA 1 36 VAL MG2 4.000 . 5.000 3.030 2.786 3.372 . 0 0 "[ . 1 . 2]" 1
13 1 35 SER HA 1 43 PHE H 4.200 . 6.000 5.167 4.509 5.889 . 0 0 "[ . 1 . 2]" 1
14 1 35 SER HA 1 44 ILE HA 4.000 . 5.000 3.059 2.343 3.732 . 0 0 "[ . 1 . 2]" 1
15 1 35 SER HA 1 45 GLN H 3.200 . 6.000 3.770 3.281 4.433 . 0 0 "[ . 1 . 2]" 1
16 1 35 SER HA 1 91 ILE MD 4.000 . 5.000 4.384 3.971 4.731 . 0 0 "[ . 1 . 2]" 1
17 1 35 SER QB 1 36 VAL H 4.000 . 6.000 2.287 1.982 3.211 0.018 5 0 "[ . 1 . 2]" 1
18 1 35 SER QB 1 44 ILE HA 4.000 . 5.000 3.435 2.545 4.515 . 0 0 "[ . 1 . 2]" 1
19 1 35 SER QB 1 91 ILE MD 4.000 . 5.000 2.465 1.966 3.150 . 0 0 "[ . 1 . 2]" 1
20 1 35 SER HB2 1 36 VAL H 3.600 . 5.200 2.894 2.012 3.774 . 0 0 "[ . 1 . 2]" 1
21 1 35 SER HB3 1 36 VAL H 4.000 . 6.000 2.791 2.005 3.644 . 0 0 "[ . 1 . 2]" 1
22 1 35 SER HB3 1 44 ILE HA 3.400 . 4.800 3.809 2.570 4.803 0.003 11 0 "[ . 1 . 2]" 1
23 1 36 VAL H 1 36 VAL HA 2.800 . 3.800 2.937 2.919 2.946 . 0 0 "[ . 1 . 2]" 1
24 1 36 VAL H 1 36 VAL HB 3.200 . 4.500 3.406 3.196 3.756 . 0 0 "[ . 1 . 2]" 1
25 1 36 VAL H 1 36 VAL MG2 3.200 . 4.000 2.067 1.890 2.183 0.110 8 0 "[ . 1 . 2]" 1
26 1 36 VAL H 1 42 THR HG1 4.000 . 5.000 3.221 2.421 3.860 . 0 0 "[ . 1 . 2]" 1
27 1 36 VAL H 1 43 PHE H 3.200 . 4.500 2.911 2.370 3.592 . 0 0 "[ . 1 . 2]" 1
28 1 36 VAL H 1 43 PHE HB2 3.600 . 5.200 4.236 3.195 5.460 0.260 8 0 "[ . 1 . 2]" 1
29 1 36 VAL H 1 43 PHE QB 4.100 . 6.000 3.590 3.109 4.260 . 0 0 "[ . 1 . 2]" 1
30 1 36 VAL H 1 43 PHE HB3 4.300 . 6.000 4.304 3.167 5.427 . 0 0 "[ . 1 . 2]" 1
31 1 36 VAL H 1 44 ILE HA 3.200 . 4.000 3.924 3.535 4.339 0.339 17 0 "[ . 1 . 2]" 1
32 1 36 VAL HA 1 36 VAL HB 2.400 . 3.100 2.831 2.597 2.938 . 0 0 "[ . 1 . 2]" 1
33 1 36 VAL HA 1 36 VAL MG2 . . 3.100 2.969 2.839 3.166 0.066 14 0 "[ . 1 . 2]" 1
34 1 36 VAL HB 1 36 VAL MG2 2.100 . 2.700 2.109 2.078 2.130 . 0 0 "[ . 1 . 2]" 1
35 1 36 VAL HB 1 43 PHE H 4.000 . 5.000 3.681 3.132 4.092 . 0 0 "[ . 1 . 2]" 1
36 1 36 VAL HB 1 43 PHE HA 4.300 . 6.000 5.631 4.950 6.306 0.306 8 0 "[ . 1 . 2]" 1
37 1 36 VAL HB 1 43 PHE QB 4.000 . 5.000 2.815 2.296 3.612 . 0 0 "[ . 1 . 2]" 1
38 1 36 VAL HB 1 43 PHE HB3 4.300 . 6.000 3.658 2.323 5.207 . 0 0 "[ . 1 . 2]" 1
39 1 36 VAL HB 1 44 ILE H 3.500 . 6.000 6.680 6.087 7.126 1.126 14 14 "[*** **** * -+.*** *]" 1
40 1 36 VAL MG2 1 43 PHE H 4.000 . 5.000 3.163 2.136 4.011 . 0 0 "[ . 1 . 2]" 1
41 1 36 VAL MG2 1 43 PHE HA 4.000 . 5.000 4.237 3.674 4.841 . 0 0 "[ . 1 . 2]" 1
42 1 36 VAL MG2 1 43 PHE HB2 3.000 . 6.000 2.807 1.622 4.213 . 0 0 "[ . 1 . 2]" 1
43 1 36 VAL MG2 1 43 PHE QB 4.000 . 5.000 2.102 1.598 2.716 0.202 8 0 "[ . 1 . 2]" 1
44 1 36 VAL MG2 1 43 PHE HB3 3.600 . 6.000 2.560 1.607 3.584 . 0 0 "[ . 1 . 2]" 1
45 1 37 ILE H 1 37 ILE HB 2.600 . 3.400 2.775 2.393 3.571 0.171 15 0 "[ . 1 . 2]" 1
46 1 37 ILE H 1 37 ILE MD 3.200 . 4.000 3.255 1.819 4.121 0.121 11 0 "[ . 1 . 2]" 1
47 1 37 ILE H 1 37 ILE QG 3.200 . 4.000 3.172 1.883 4.106 0.106 8 0 "[ . 1 . 2]" 1
48 1 37 ILE H 1 38 GLN H 4.000 . 5.000 4.513 4.314 4.620 . 0 0 "[ . 1 . 2]" 1
49 1 37 ILE HA 1 37 ILE MD 4.000 . 5.000 3.336 1.835 4.160 0.165 20 0 "[ . 1 . 2]" 1
50 1 37 ILE HA 1 37 ILE QG 3.200 . 4.000 2.594 2.204 3.471 . 0 0 "[ . 1 . 2]" 1
51 1 37 ILE HA 1 38 GLN H 2.600 . 3.000 2.217 2.125 2.394 . 0 0 "[ . 1 . 2]" 1
52 1 37 ILE HA 1 42 THR HA 3.200 . 4.000 3.168 2.583 3.659 . 0 0 "[ . 1 . 2]" 1
53 1 37 ILE HA 1 42 THR HG1 4.000 . 5.000 4.494 3.778 5.474 0.474 9 0 "[ . 1 . 2]" 1
54 1 38 GLN H 1 38 GLN HB3 3.500 . 5.000 3.442 2.702 3.822 . 0 0 "[ . 1 . 2]" 1
55 1 38 GLN H 1 41 ARG H 4.000 . 5.000 2.981 2.649 3.467 . 0 0 "[ . 1 . 2]" 1
56 1 38 GLN H 1 42 THR HA 4.000 . 5.000 3.865 3.405 4.245 . 0 0 "[ . 1 . 2]" 1
57 1 38 GLN HA 1 41 ARG H 3.400 . 4.800 4.687 4.340 4.825 0.025 2 0 "[ . 1 . 2]" 1
58 1 39 GLY QA 1 40 ASN H 4.000 . 5.000 2.386 2.213 2.831 . 0 0 "[ . 1 . 2]" 1
59 1 39 GLY QA 1 41 ARG H 4.000 . 5.000 3.876 3.609 3.992 . 0 0 "[ . 1 . 2]" 1
60 1 39 GLY HA2 1 40 ASN H 4.300 . 6.000 3.405 2.298 3.557 . 0 0 "[ . 1 . 2]" 1
61 1 39 GLY HA2 1 41 ARG H 4.900 . 6.000 4.872 3.909 5.123 . 0 0 "[ . 1 . 2]" 1
62 1 39 GLY HA3 1 40 ASN H 2.900 . 4.000 2.559 2.239 3.570 . 0 0 "[ . 1 . 2]" 1
63 1 40 ASN H 1 40 ASN HB2 4.100 . 6.000 3.172 2.762 4.064 . 0 0 "[ . 1 . 2]" 1
64 1 40 ASN H 1 40 ASN HB3 3.700 . 5.400 3.498 2.882 3.994 . 0 0 "[ . 1 . 2]" 1
65 1 40 ASN H 1 41 ARG H 3.200 . 4.000 2.094 1.824 2.837 . 0 0 "[ . 1 . 2]" 1
66 1 40 ASN HA 1 40 ASN HB2 2.400 . 3.100 2.739 2.398 3.026 . 0 0 "[ . 1 . 2]" 1
67 1 40 ASN HA 1 40 ASN HB3 2.700 . 3.600 2.791 2.359 3.019 . 0 0 "[ . 1 . 2]" 1
68 1 40 ASN HA 1 41 ARG H 3.200 . 4.500 2.980 2.893 3.077 . 0 0 "[ . 1 . 2]" 1
69 1 40 ASN QB 1 41 ARG H 4.000 . 5.000 3.788 3.665 4.046 . 0 0 "[ . 1 . 2]" 1
70 1 40 ASN HB3 1 41 ARG H 3.700 . 5.400 4.212 3.925 4.627 . 0 0 "[ . 1 . 2]" 1
71 1 41 ARG H 1 41 ARG HB2 3.600 . 5.200 3.554 2.949 3.923 . 0 0 "[ . 1 . 2]" 1
72 1 41 ARG H 1 41 ARG HB3 3.000 . 4.100 3.618 3.265 3.929 . 0 0 "[ . 1 . 2]" 1
73 1 41 ARG H 1 41 ARG QG 3.200 . 4.000 2.346 1.969 3.044 . 0 0 "[ . 1 . 2]" 1
74 1 41 ARG H 1 83 GLN HA 3.300 . 6.000 4.744 4.586 5.096 . 0 0 "[ . 1 . 2]" 1
75 1 41 ARG HA 1 41 ARG HD2 4.100 . 6.000 4.687 4.205 5.430 . 0 0 "[ . 1 . 2]" 1
76 1 41 ARG HA 1 41 ARG QD 4.000 . 5.000 4.044 3.399 4.373 . 0 0 "[ . 1 . 2]" 1
77 1 41 ARG HA 1 41 ARG HD3 4.200 . 6.000 4.526 3.507 5.393 . 0 0 "[ . 1 . 2]" 1
78 1 41 ARG HA 1 41 ARG QG 4.000 . 4.600 3.158 2.620 3.432 . 0 0 "[ . 1 . 2]" 1
79 1 41 ARG HA 1 42 THR H 3.200 . 4.000 2.320 2.229 2.403 . 0 0 "[ . 1 . 2]" 1
80 1 41 ARG HA 1 69 LEU HA 6.000 . 6.000 7.190 6.941 7.299 1.299 1 20 [+**-****************] 1
81 1 41 ARG HA 1 83 GLN HA 4.000 . 5.000 1.966 1.791 2.305 0.009 20 0 "[ . 1 . 2]" 1
82 1 41 ARG HA 1 84 GLY H 3.200 . 4.000 2.579 2.222 2.954 . 0 0 "[ . 1 . 2]" 1
83 1 41 ARG HA 1 85 LYS HA 6.000 . 6.000 5.763 4.300 6.416 0.416 13 0 "[ . 1 . 2]" 1
84 1 41 ARG QG 1 69 LEU QB 6.000 . 6.000 8.741 6.815 9.545 3.545 10 20 [***-*****+**********] 1
85 1 42 THR H 1 42 THR HB 3.200 . 4.000 2.397 2.321 2.468 . 0 0 "[ . 1 . 2]" 1
86 1 42 THR H 1 42 THR HG1 4.000 . 5.000 4.554 4.467 4.639 . 0 0 "[ . 1 . 2]" 1
87 1 42 THR H 1 42 THR MG 4.200 . 6.000 3.074 2.874 3.292 . 0 0 "[ . 1 . 2]" 1
88 1 42 THR H 1 82 LEU H 3.200 . 4.500 3.771 3.480 3.979 . 0 0 "[ . 1 . 2]" 1
89 1 42 THR H 1 82 LEU QB 3.200 . 4.000 4.455 4.313 4.625 0.625 1 6 "[+- *. 1 * ** 2]" 1
90 1 42 THR H 1 82 LEU QD 4.000 . 5.000 2.509 1.938 3.277 . 0 0 "[ . 1 . 2]" 1
91 1 42 THR H 1 83 GLN HA 4.000 . 5.000 2.884 2.636 3.131 . 0 0 "[ . 1 . 2]" 1
92 1 42 THR H 1 84 GLY H 4.200 . 6.000 3.951 3.524 4.336 . 0 0 "[ . 1 . 2]" 1
93 1 42 THR HA 1 42 THR HG1 3.200 . 4.000 2.691 2.446 3.223 . 0 0 "[ . 1 . 2]" 1
94 1 42 THR HA 1 42 THR MG 2.600 . 3.400 3.070 2.960 3.137 . 0 0 "[ . 1 . 2]" 1
95 1 42 THR HA 1 43 PHE H 2.600 . 3.000 2.137 2.095 2.187 . 0 0 "[ . 1 . 2]" 1
96 1 42 THR HB 1 42 THR HG1 2.400 . 3.100 2.798 2.621 2.834 . 0 0 "[ . 1 . 2]" 1
97 1 42 THR HB 1 42 THR MG 2.400 . 3.100 2.101 2.081 2.121 . 0 0 "[ . 1 . 2]" 1
98 1 42 THR HB 1 43 PHE H 4.400 . 6.000 4.507 4.452 4.589 . 0 0 "[ . 1 . 2]" 1
99 1 42 THR HB 1 82 LEU H 4.000 . 5.000 4.737 4.451 4.987 . 0 0 "[ . 1 . 2]" 1
100 1 42 THR HB 1 82 LEU QB . . 3.800 4.960 4.717 5.107 1.307 4 20 [***+************-***] 1
101 1 42 THR HB 1 82 LEU QD 4.000 2.800 5.000 2.257 1.992 2.679 0.808 18 12 "[ * **** -* * . *+**]" 1
102 1 42 THR HB 1 91 ILE MD 4.000 . 5.000 4.557 4.097 4.942 . 0 0 "[ . 1 . 2]" 1
103 1 42 THR HG1 1 43 PHE H 3.200 . 4.000 3.515 3.112 4.007 0.007 9 0 "[ . 1 . 2]" 1
104 1 42 THR HG1 1 44 ILE HA 4.000 . 5.000 5.015 4.726 5.135 0.135 16 0 "[ . 1 . 2]" 1
105 1 42 THR HG1 1 82 LEU QD 4.000 . 5.000 4.049 3.885 4.291 . 0 0 "[ . 1 . 2]" 1
106 1 42 THR HG1 1 91 ILE MD 3.200 . 4.000 3.494 2.761 4.066 0.066 3 0 "[ . 1 . 2]" 1
107 1 42 THR MG 1 43 PHE H 2.800 . 3.800 3.390 3.242 3.566 . 0 0 "[ . 1 . 2]" 1
108 1 43 PHE H 1 43 PHE HB2 2.900 . 4.000 2.478 2.169 3.081 . 0 0 "[ . 1 . 2]" 1
109 1 43 PHE H 1 43 PHE QB 3.200 . 4.500 2.314 2.147 2.640 . 0 0 "[ . 1 . 2]" 1
110 1 43 PHE H 1 43 PHE HB3 3.000 . 4.100 3.134 2.320 3.702 . 0 0 "[ . 1 . 2]" 1
111 1 43 PHE H 1 43 PHE QD 4.000 . 5.000 3.315 1.996 4.277 . 0 0 "[ . 1 . 2]" 1
112 1 43 PHE HA 1 43 PHE HB2 2.900 . 3.900 2.785 2.344 3.020 . 0 0 "[ . 1 . 2]" 1
113 1 43 PHE HA 1 43 PHE HB3 2.600 . 3.500 2.777 2.372 3.023 . 0 0 "[ . 1 . 2]" 1
114 1 43 PHE HA 1 43 PHE QD 4.000 . 5.000 2.797 2.203 3.076 . 0 0 "[ . 1 . 2]" 1
115 1 43 PHE HA 1 44 ILE H 2.600 . 3.000 2.393 2.303 2.555 . 0 0 "[ . 1 . 2]" 1
116 1 43 PHE HA 1 81 ILE HA 4.000 . 5.000 2.112 1.857 2.415 . 0 0 "[ . 1 . 2]" 1
117 1 43 PHE HA 1 81 ILE HB 4.300 . 6.000 4.529 3.937 5.085 . 0 0 "[ . 1 . 2]" 1
118 1 43 PHE HA 1 81 ILE MD 4.000 . 5.000 3.968 1.915 4.881 . 0 0 "[ . 1 . 2]" 1
119 1 43 PHE HA 1 81 ILE HG12 4.000 . 6.000 2.963 1.994 4.364 0.006 10 0 "[ . 1 . 2]" 1
120 1 43 PHE HA 1 81 ILE QG 4.000 . 5.000 2.695 1.964 3.919 . 0 0 "[ . 1 . 2]" 1
121 1 43 PHE HA 1 82 LEU H 3.600 . 5.200 3.698 3.410 4.179 . 0 0 "[ . 1 . 2]" 1
122 1 43 PHE QB 1 44 ILE H 4.100 . 6.000 3.947 3.843 4.059 . 0 0 "[ . 1 . 2]" 1
123 1 43 PHE QB 1 79 ARG QB 4.000 . 5.000 4.823 4.042 5.177 0.177 8 0 "[ . 1 . 2]" 1
124 1 43 PHE QB 1 81 ILE HB 6.000 . 6.000 5.545 4.907 6.326 0.326 5 0 "[ . 1 . 2]" 1
125 1 43 PHE HB2 1 44 ILE H 4.000 . 6.000 4.583 4.414 4.686 . 0 0 "[ . 1 . 2]" 1
126 1 43 PHE HB3 1 44 ILE H 4.000 . 6.000 4.312 4.126 4.585 . 0 0 "[ . 1 . 2]" 1
127 1 44 ILE H 1 44 ILE HB 3.200 . 4.500 2.377 2.077 3.565 . 0 0 "[ . 1 . 2]" 1
128 1 44 ILE H 1 44 ILE MD 3.200 . 4.000 3.538 2.526 4.080 0.080 18 0 "[ . 1 . 2]" 1
129 1 44 ILE H 1 44 ILE HG12 3.600 . 5.200 4.430 3.260 4.732 . 0 0 "[ . 1 . 2]" 1
130 1 44 ILE H 1 44 ILE QG 3.200 . 4.000 3.709 3.172 4.081 0.081 8 0 "[ . 1 . 2]" 1
131 1 44 ILE H 1 80 ALA H 4.000 . 5.000 4.508 4.042 5.031 0.031 12 0 "[ . 1 . 2]" 1
132 1 44 ILE H 1 80 ALA MB 3.200 . 4.000 3.674 3.120 3.966 . 0 0 "[ . 1 . 2]" 1
133 1 44 ILE H 1 81 ILE HA 4.000 . 5.000 2.986 2.404 3.333 . 0 0 "[ . 1 . 2]" 1
134 1 44 ILE HA 1 44 ILE MD 4.000 . 5.000 2.960 1.854 4.189 . 0 0 "[ . 1 . 2]" 1
135 1 44 ILE HA 1 44 ILE HG12 3.200 . 4.500 3.317 2.646 3.729 . 0 0 "[ . 1 . 2]" 1
136 1 44 ILE HA 1 45 GLN H 2.600 . 3.000 2.131 2.078 2.182 . 0 0 "[ . 1 . 2]" 1
137 1 44 ILE HA 1 46 ASN H 4.200 . 6.000 3.792 3.568 3.966 . 0 0 "[ . 1 . 2]" 1
138 1 44 ILE HA 1 47 PHE H 4.000 . 5.000 5.039 4.889 5.109 0.109 6 0 "[ . 1 . 2]" 1
139 1 44 ILE HA 1 91 ILE MD 4.000 . 5.000 4.968 4.838 5.058 0.058 14 0 "[ . 1 . 2]" 1
140 1 44 ILE QG 1 45 GLN H 3.200 . 4.000 3.222 2.475 3.614 . 0 0 "[ . 1 . 2]" 1
141 1 44 ILE QG 1 46 ASN H 3.200 . 4.000 3.697 2.670 4.071 0.071 20 0 "[ . 1 . 2]" 1
142 1 44 ILE QG 1 47 PHE H 3.200 . 4.000 3.520 2.453 4.139 0.139 1 0 "[ . 1 . 2]" 1
143 1 45 GLN H 1 46 ASN H 3.300 . 4.700 2.038 1.885 2.397 0.015 6 0 "[ . 1 . 2]" 1
144 1 45 GLN HA 1 46 ASN H 4.000 . 5.000 3.512 3.467 3.543 . 0 0 "[ . 1 . 2]" 1
145 1 45 GLN HA 1 47 PHE H 4.700 . 6.000 3.972 3.681 4.238 . 0 0 "[ . 1 . 2]" 1
146 1 46 ASN H 1 46 ASN HA 2.900 . 4.000 2.934 2.916 2.945 . 0 0 "[ . 1 . 2]" 1
147 1 46 ASN H 1 46 ASN HB2 3.300 . 4.700 2.495 2.229 3.713 . 0 0 "[ . 1 . 2]" 1
148 1 46 ASN H 1 46 ASN HB3 3.500 . 5.000 3.523 3.059 3.765 . 0 0 "[ . 1 . 2]" 1
149 1 46 ASN H 1 47 PHE H 3.200 . 4.000 3.108 2.932 3.292 . 0 0 "[ . 1 . 2]" 1
150 1 46 ASN H 1 47 PHE HA 4.400 . 6.000 4.511 4.404 4.644 . 0 0 "[ . 1 . 2]" 1
151 1 46 ASN HA 1 46 ASN HB2 2.500 . 3.300 2.944 2.493 3.028 . 0 0 "[ . 1 . 2]" 1
152 1 46 ASN HA 1 46 ASN QB 2.600 . 3.500 2.423 2.189 2.540 . 0 0 "[ . 1 . 2]" 1
153 1 46 ASN HA 1 46 ASN HB3 2.500 . 3.300 2.599 2.348 2.886 . 0 0 "[ . 1 . 2]" 1
154 1 46 ASN HA 1 47 PHE H 3.200 . 4.000 2.706 2.554 2.798 . 0 0 "[ . 1 . 2]" 1
155 1 46 ASN HA 1 48 ARG H 4.100 . 6.000 3.216 3.033 3.687 . 0 0 "[ . 1 . 2]" 1
156 1 46 ASN HA 1 49 GLU QB 4.000 . 5.000 4.127 3.805 4.408 . 0 0 "[ . 1 . 2]" 1
157 1 46 ASN HA 1 49 GLU HB3 3.300 . 4.700 4.595 4.135 4.733 0.033 20 0 "[ . 1 . 2]" 1
158 1 46 ASN QB 1 49 GLU QB 4.000 . 5.000 2.193 1.872 2.422 . 0 0 "[ . 1 . 2]" 1
159 1 46 ASN QB 1 49 GLU HG3 6.000 . 6.000 4.667 3.805 5.262 . 0 0 "[ . 1 . 2]" 1
160 1 46 ASN HB2 1 49 GLU HB3 3.000 . 4.100 3.436 2.219 4.082 . 0 0 "[ . 1 . 2]" 1
161 1 46 ASN HB3 1 49 GLU HB3 2.900 . 3.900 2.397 2.087 3.659 . 0 0 "[ . 1 . 2]" 1
162 1 46 ASN HB3 1 49 GLU HG3 6.000 . 6.000 4.954 4.385 5.462 . 0 0 "[ . 1 . 2]" 1
163 1 47 PHE H 1 47 PHE HA 2.800 . 3.800 2.724 2.710 2.732 . 0 0 "[ . 1 . 2]" 1
164 1 47 PHE H 1 47 PHE HB2 3.100 . 4.300 3.151 2.165 3.619 . 0 0 "[ . 1 . 2]" 1
165 1 47 PHE H 1 47 PHE QB 3.200 . 4.000 2.449 2.123 2.751 . 0 0 "[ . 1 . 2]" 1
166 1 47 PHE H 1 47 PHE HB3 2.500 . 3.300 2.707 2.436 3.061 . 0 0 "[ . 1 . 2]" 1
167 1 47 PHE H 1 48 ARG H 3.200 . 4.000 2.881 2.841 2.985 . 0 0 "[ . 1 . 2]" 1
168 1 47 PHE HA 1 47 PHE QB 2.900 . 3.900 2.262 2.154 2.494 . 0 0 "[ . 1 . 2]" 1
169 1 47 PHE HA 1 47 PHE HB3 2.800 . 3.800 2.601 2.295 3.027 . 0 0 "[ . 1 . 2]" 1
170 1 47 PHE HA 1 48 ARG H 3.700 . 5.400 3.489 3.452 3.557 . 0 0 "[ . 1 . 2]" 1
171 1 47 PHE HA 1 50 VAL H 3.500 . 5.000 3.960 3.746 4.184 . 0 0 "[ . 1 . 2]" 1
172 1 47 PHE HA 1 50 VAL HB 4.000 . 5.000 2.873 2.506 4.218 . 0 0 "[ . 1 . 2]" 1
173 1 48 ARG H 1 48 ARG HA 2.800 . 3.800 2.855 2.802 2.893 . 0 0 "[ . 1 . 2]" 1
174 1 48 ARG H 1 48 ARG QB 2.600 . 3.000 2.213 2.079 2.707 . 0 0 "[ . 1 . 2]" 1
175 1 48 ARG H 1 48 ARG HB3 2.400 . 3.100 2.841 2.521 3.135 0.035 16 0 "[ . 1 . 2]" 1
176 1 48 ARG HA 1 48 ARG QB 2.400 . 3.100 2.448 2.160 2.530 . 0 0 "[ . 1 . 2]" 1
177 1 48 ARG HA 1 48 ARG HB3 2.400 . 3.100 2.941 2.328 3.022 . 0 0 "[ . 1 . 2]" 1
178 1 48 ARG HA 1 48 ARG HD2 2.900 . 4.000 3.366 2.227 4.030 0.030 8 0 "[ . 1 . 2]" 1
179 1 48 ARG HA 1 48 ARG QD 4.000 . 5.000 2.836 2.010 3.902 . 0 0 "[ . 1 . 2]" 1
180 1 48 ARG HA 1 48 ARG HG3 2.900 . 4.000 2.923 2.049 4.123 0.123 8 0 "[ . 1 . 2]" 1
181 1 48 ARG HA 1 51 ALA H 3.300 . 4.700 3.826 3.451 4.204 . 0 0 "[ . 1 . 2]" 1
182 1 48 ARG HA 1 51 ALA MB 4.000 . 5.000 2.848 2.308 3.488 . 0 0 "[ . 1 . 2]" 1
183 1 48 ARG HA 1 52 ASP H 3.900 . 5.800 4.294 4.078 4.536 . 0 0 "[ . 1 . 2]" 1
184 1 49 GLU H 1 50 VAL H 3.200 . 4.000 2.596 2.461 2.775 . 0 0 "[ . 1 . 2]" 1
185 1 49 GLU HA 1 49 GLU QB 2.400 . 3.100 2.423 2.158 2.522 . 0 0 "[ . 1 . 2]" 1
186 1 49 GLU HA 1 49 GLU HB3 2.300 . 2.900 2.977 2.837 3.014 0.114 6 0 "[ . 1 . 2]" 1
187 1 49 GLU HA 1 49 GLU HG3 3.100 . 4.300 2.608 2.086 3.590 . 0 0 "[ . 1 . 2]" 1
188 1 49 GLU HA 1 50 VAL H 3.400 . 4.900 3.536 3.494 3.576 . 0 0 "[ . 1 . 2]" 1
189 1 49 GLU HA 1 51 ALA H 3.800 . 5.600 4.341 4.080 4.566 . 0 0 "[ . 1 . 2]" 1
190 1 49 GLU HA 1 52 ASP H 3.000 . 4.200 3.657 3.495 4.033 . 0 0 "[ . 1 . 2]" 1
191 1 49 GLU HA 1 52 ASP HB2 3.000 . 4.100 3.403 2.705 4.129 0.029 8 0 "[ . 1 . 2]" 1
192 1 49 GLU HA 1 52 ASP QB 4.000 . 5.000 3.108 2.626 3.626 . 0 0 "[ . 1 . 2]" 1
193 1 49 GLU HA 1 52 ASP HB3 3.100 . 4.300 3.709 3.224 4.343 0.043 6 0 "[ . 1 . 2]" 1
194 1 49 GLU HA 1 53 ALA H 3.600 . 5.200 4.162 3.830 4.351 . 0 0 "[ . 1 . 2]" 1
195 1 50 VAL H 1 50 VAL HA 3.000 . 4.100 2.802 2.763 2.846 . 0 0 "[ . 1 . 2]" 1
196 1 50 VAL H 1 50 VAL HB 2.600 . 3.000 2.613 2.162 2.822 . 0 0 "[ . 1 . 2]" 1
197 1 50 VAL H 1 50 VAL MG1 3.200 . 4.000 3.620 2.405 3.774 . 0 0 "[ . 1 . 2]" 1
198 1 50 VAL H 1 51 ALA H 3.200 . 4.000 2.684 2.566 2.797 . 0 0 "[ . 1 . 2]" 1
199 1 50 VAL HA 1 50 VAL HB 3.000 . 4.100 2.964 2.491 3.029 . 0 0 "[ . 1 . 2]" 1
200 1 50 VAL HA 1 50 VAL MG1 . . 3.600 2.443 2.189 3.199 . 0 0 "[ . 1 . 2]" 1
201 1 50 VAL HA 1 51 ALA H 3.600 . 5.200 3.537 3.495 3.561 . 0 0 "[ . 1 . 2]" 1
202 1 50 VAL HA 1 53 ALA H 4.000 . 5.000 4.131 3.908 4.407 . 0 0 "[ . 1 . 2]" 1
203 1 50 VAL HA 1 53 ALA MB 4.000 . 5.000 3.298 2.842 3.829 . 0 0 "[ . 1 . 2]" 1
204 1 50 VAL HB 1 50 VAL MG1 2.300 . 2.900 2.109 2.081 2.130 . 0 0 "[ . 1 . 2]" 1
205 1 50 VAL HB 1 61 LEU MD2 4.000 . 5.000 4.224 3.210 4.894 . 0 0 "[ . 1 . 2]" 1
206 1 50 VAL MG1 1 53 ALA MB 4.000 . 5.000 4.329 3.839 5.049 0.049 14 0 "[ . 1 . 2]" 1
207 1 50 VAL MG1 1 61 LEU MD1 4.000 . 5.000 3.675 2.540 4.174 . 0 0 "[ . 1 . 2]" 1
208 1 50 VAL MG1 1 61 LEU MD2 4.000 . 5.000 3.255 2.393 3.954 . 0 0 "[ . 1 . 2]" 1
209 1 51 ALA H 1 51 ALA HA 3.000 . 4.100 2.804 2.766 2.849 . 0 0 "[ . 1 . 2]" 1
210 1 51 ALA H 1 51 ALA MB 2.600 . 3.000 2.206 2.060 2.285 . 0 0 "[ . 1 . 2]" 1
211 1 51 ALA H 1 52 ASP H 3.200 . 4.000 2.744 2.605 3.014 . 0 0 "[ . 1 . 2]" 1
212 1 51 ALA HA 1 51 ALA MB 2.400 . 3.100 2.107 2.078 2.123 . 0 0 "[ . 1 . 2]" 1
213 1 51 ALA HA 1 52 ASP H 3.700 . 5.500 3.525 3.471 3.572 . 0 0 "[ . 1 . 2]" 1
214 1 51 ALA HA 1 54 LEU H 3.500 . 5.000 4.009 3.574 4.501 . 0 0 "[ . 1 . 2]" 1
215 1 51 ALA HA 1 54 LEU QB 4.000 . 5.000 3.063 2.380 3.705 . 0 0 "[ . 1 . 2]" 1
216 1 51 ALA HA 1 61 LEU QB 4.000 . 5.000 3.529 2.810 3.911 . 0 0 "[ . 1 . 2]" 1
217 1 51 ALA HA 1 61 LEU MD2 4.000 . 5.000 2.094 1.862 2.372 . 0 0 "[ . 1 . 2]" 1
218 1 51 ALA MB 1 58 PRO HA 3.200 . 4.000 3.265 2.182 3.715 . 0 0 "[ . 1 . 2]" 1
219 1 51 ALA MB 1 58 PRO QB 3.200 . 4.000 3.767 2.944 4.011 0.011 9 0 "[ . 1 . 2]" 1
220 1 51 ALA MB 1 61 LEU MD1 4.000 . 5.000 2.507 1.877 3.023 . 0 0 "[ . 1 . 2]" 1
221 1 51 ALA MB 1 61 LEU MD2 4.000 . 5.000 2.394 1.864 2.818 . 0 0 "[ . 1 . 2]" 1
222 1 52 ASP H 1 52 ASP HA 2.700 . 3.600 2.802 2.734 2.888 . 0 0 "[ . 1 . 2]" 1
223 1 52 ASP H 1 53 ALA H 3.200 . 4.000 3.019 2.767 3.190 . 0 0 "[ . 1 . 2]" 1
224 1 52 ASP H 1 53 ALA HA 4.800 . 6.000 5.487 5.284 5.632 . 0 0 "[ . 1 . 2]" 1
225 1 52 ASP HA 1 52 ASP HB2 2.700 . 3.600 2.671 2.513 2.876 . 0 0 "[ . 1 . 2]" 1
226 1 52 ASP HA 1 52 ASP HB3 2.500 . 3.300 2.967 2.829 3.023 . 0 0 "[ . 1 . 2]" 1
227 1 52 ASP HA 1 53 ALA H 3.300 . 4.600 3.578 3.558 3.599 . 0 0 "[ . 1 . 2]" 1
228 1 52 ASP HA 1 54 LEU H 3.700 . 5.400 4.755 4.389 5.050 . 0 0 "[ . 1 . 2]" 1
229 1 52 ASP HA 1 55 ASN H 2.700 . 3.600 3.612 3.533 3.699 0.099 19 0 "[ . 1 . 2]" 1
230 1 52 ASP HA 1 56 ARG H 3.100 . 4.300 4.223 3.047 4.368 0.068 1 0 "[ . 1 . 2]" 1
231 1 53 ALA H 1 53 ALA HA 2.700 . 3.600 2.737 2.711 2.767 . 0 0 "[ . 1 . 2]" 1
232 1 53 ALA H 1 53 ALA MB 2.600 . 3.000 2.141 2.015 2.239 . 0 0 "[ . 1 . 2]" 1
233 1 53 ALA H 1 54 LEU H 3.200 . 4.000 3.016 2.835 3.210 . 0 0 "[ . 1 . 2]" 1
234 1 53 ALA HA 1 53 ALA MB 2.200 . 2.800 2.100 2.075 2.120 . 0 0 "[ . 1 . 2]" 1
235 1 53 ALA HA 1 54 LEU H 3.400 . 4.900 3.579 3.544 3.602 . 0 0 "[ . 1 . 2]" 1
236 1 54 LEU H 1 54 LEU QB 3.200 . 4.000 2.140 2.097 2.171 . 0 0 "[ . 1 . 2]" 1
237 1 54 LEU H 1 54 LEU HB3 2.700 . 3.600 2.205 2.158 2.248 . 0 0 "[ . 1 . 2]" 1
238 1 54 LEU H 1 54 LEU MD1 3.200 . 4.000 4.168 4.091 4.214 0.214 4 0 "[ . 1 . 2]" 1
239 1 54 LEU H 1 54 LEU MD2 4.000 . 5.000 4.199 4.137 4.246 . 0 0 "[ . 1 . 2]" 1
240 1 54 LEU H 1 54 LEU HG 3.200 . 4.000 4.151 4.110 4.196 0.196 7 0 "[ . 1 . 2]" 1
241 1 54 LEU H 1 55 ASN H 3.200 . 4.000 2.596 2.466 2.668 . 0 0 "[ . 1 . 2]" 1
242 1 54 LEU H 1 55 ASN HB2 5.000 . 6.000 5.114 4.900 5.506 . 0 0 "[ . 1 . 2]" 1
243 1 54 LEU H 1 55 ASN QB 4.700 . 6.000 4.792 4.571 4.895 . 0 0 "[ . 1 . 2]" 1
244 1 54 LEU H 1 55 ASN HB3 5.000 . 6.000 5.858 4.883 6.127 0.127 16 0 "[ . 1 . 2]" 1
245 1 54 LEU QB 1 55 ASN QB 6.000 . 6.000 3.834 3.710 3.953 . 0 0 "[ . 1 . 2]" 1
246 1 54 LEU HB3 1 54 LEU MD1 2.900 . 3.900 3.165 3.154 3.183 . 0 0 "[ . 1 . 2]" 1
247 1 54 LEU HB3 1 55 ASN HB3 6.000 . 6.000 5.235 4.328 5.639 . 0 0 "[ . 1 . 2]" 1
248 1 54 LEU MD2 1 86 PHE HA 5.000 2.800 6.000 6.075 5.927 6.164 0.164 4 0 "[ . 1 . 2]" 1
249 1 54 LEU MD2 1 86 PHE QB 4.000 . 5.000 5.016 4.868 5.098 0.098 1 0 "[ . 1 . 2]" 1
250 1 55 ASN H 1 55 ASN HA 2.400 . 3.100 2.802 2.692 2.911 . 0 0 "[ . 1 . 2]" 1
251 1 55 ASN H 1 55 ASN HB2 3.400 . 4.800 3.175 2.846 3.560 . 0 0 "[ . 1 . 2]" 1
252 1 55 ASN H 1 55 ASN QB 3.300 . 4.700 2.944 2.720 3.105 . 0 0 "[ . 1 . 2]" 1
253 1 55 ASN H 1 55 ASN HB3 3.100 . 4.300 3.551 2.908 3.848 . 0 0 "[ . 1 . 2]" 1
254 1 55 ASN H 1 56 ARG H 3.200 . 4.000 3.571 3.102 3.759 . 0 0 "[ . 1 . 2]" 1
255 1 55 ASN HA 1 56 ARG H 2.700 . 3.600 2.235 2.132 3.529 . 0 0 "[ . 1 . 2]" 1
256 1 55 ASN QB 1 56 ARG H 4.000 . 6.000 3.711 2.056 3.891 . 0 0 "[ . 1 . 2]" 1
257 1 55 ASN HB2 1 56 ARG H 3.500 . 5.000 4.547 3.488 4.649 . 0 0 "[ . 1 . 2]" 1
258 1 55 ASN HB3 1 56 ARG H 3.700 . 5.400 3.949 2.071 4.183 . 0 0 "[ . 1 . 2]" 1
259 1 56 ARG HA 1 57 ASP H 2.800 . 3.800 3.517 3.429 3.576 . 0 0 "[ . 1 . 2]" 1
260 1 57 ASP H 1 57 ASP HA 3.000 . 4.100 2.888 2.793 2.942 . 0 0 "[ . 1 . 2]" 1
261 1 58 PRO HA 1 58 PRO HB3 2.700 . 3.600 2.301 2.286 2.306 . 0 0 "[ . 1 . 2]" 1
262 1 58 PRO HA 1 61 LEU QB 4.000 . 5.000 3.028 2.695 3.485 . 0 0 "[ . 1 . 2]" 1
263 1 58 PRO HA 1 61 LEU HB3 3.600 . 5.200 3.741 3.000 4.309 . 0 0 "[ . 1 . 2]" 1
264 1 58 PRO HA 1 61 LEU MD2 4.000 . 5.000 4.510 3.974 5.019 0.019 6 0 "[ . 1 . 2]" 1
265 1 59 GLN H 1 59 GLN HB2 2.400 . 3.100 2.206 2.057 2.766 . 0 0 "[ . 1 . 2]" 1
266 1 59 GLN H 1 59 GLN QB 2.600 . 3.000 2.174 2.036 2.675 . 0 0 "[ . 1 . 2]" 1
267 1 59 GLN H 1 59 GLN HB3 2.600 . 3.500 3.364 2.883 3.571 0.071 8 0 "[ . 1 . 2]" 1
268 1 59 GLN H 1 59 GLN HG2 3.000 . 4.200 3.704 2.273 4.279 0.079 3 0 "[ . 1 . 2]" 1
269 1 59 GLN H 1 59 GLN QG 3.200 . 4.000 3.095 2.017 3.805 . 0 0 "[ . 1 . 2]" 1
270 1 59 GLN H 1 59 GLN HG3 3.700 . 5.400 3.483 2.028 4.345 . 0 0 "[ . 1 . 2]" 1
271 1 59 GLN H 1 60 HIS H 3.200 . 4.000 2.676 2.586 2.774 . 0 0 "[ . 1 . 2]" 1
272 1 60 HIS H 1 60 HIS HA 2.800 . 3.800 2.845 2.798 2.867 . 0 0 "[ . 1 . 2]" 1
273 1 60 HIS H 1 60 HIS QB 2.600 . 3.000 2.150 2.047 2.962 . 0 0 "[ . 1 . 2]" 1
274 1 60 HIS H 1 60 HIS HB3 2.500 . 3.300 3.132 2.705 3.400 0.100 16 0 "[ . 1 . 2]" 1
275 1 60 HIS H 1 61 LEU H 3.200 . 4.000 2.733 2.525 2.852 . 0 0 "[ . 1 . 2]" 1
276 1 60 HIS HA 1 60 HIS QB 3.100 . 4.300 2.503 2.148 2.542 . 0 0 "[ . 1 . 2]" 1
277 1 60 HIS HA 1 60 HIS HB3 2.900 . 3.900 2.871 2.222 3.016 . 0 0 "[ . 1 . 2]" 1
278 1 60 HIS HA 1 61 LEU H 3.200 . 4.500 3.540 3.442 3.583 . 0 0 "[ . 1 . 2]" 1
279 1 60 HIS HA 1 62 LEU H 3.100 . 4.300 4.358 4.171 4.466 0.166 12 0 "[ . 1 . 2]" 1
280 1 60 HIS HA 1 63 LYS H 3.000 . 4.100 3.543 3.338 3.731 . 0 0 "[ . 1 . 2]" 1
281 1 60 HIS QB 1 61 LEU H 3.100 . 4.300 2.332 2.042 3.008 . 0 0 "[ . 1 . 2]" 1
282 1 60 HIS QB 1 62 LEU H 4.400 . 6.000 4.545 4.356 4.877 . 0 0 "[ . 1 . 2]" 1
283 1 60 HIS HB3 1 61 LEU H 3.200 . 4.500 2.497 2.062 3.903 . 0 0 "[ . 1 . 2]" 1
284 1 60 HIS HB3 1 62 LEU H 4.600 . 6.000 4.953 4.664 5.828 . 0 0 "[ . 1 . 2]" 1
285 1 61 LEU H 1 61 LEU HG 3.500 . 5.000 4.124 3.905 4.352 . 0 0 "[ . 1 . 2]" 1
286 1 61 LEU H 1 62 LEU H 3.200 . 4.000 2.851 2.364 2.960 . 0 0 "[ . 1 . 2]" 1
287 1 61 LEU HA 1 61 LEU QB 3.200 . 4.500 2.501 2.419 2.542 . 0 0 "[ . 1 . 2]" 1
288 1 61 LEU HA 1 61 LEU MD1 3.200 . 4.000 3.091 2.785 3.314 . 0 0 "[ . 1 . 2]" 1
289 1 61 LEU HA 1 61 LEU MD2 4.000 . 5.000 3.448 3.213 3.646 . 0 0 "[ . 1 . 2]" 1
290 1 61 LEU HA 1 64 PHE H 3.400 . 4.900 3.573 3.415 3.783 . 0 0 "[ . 1 . 2]" 1
291 1 61 LEU QB 1 61 LEU HG 3.200 . 4.400 2.528 2.503 2.538 . 0 0 "[ . 1 . 2]" 1
292 1 61 LEU HB3 1 61 LEU MD1 2.900 . 4.000 2.923 2.773 3.080 . 0 0 "[ . 1 . 2]" 1
293 1 61 LEU MD1 1 95 ILE HA 5.000 2.800 6.000 6.115 5.864 6.237 0.237 2 0 "[ . 1 . 2]" 1
294 1 61 LEU MD1 1 95 ILE MD 4.000 . 5.000 4.371 3.371 5.074 0.074 2 0 "[ . 1 . 2]" 1
295 1 61 LEU MD2 1 95 ILE MD 4.000 . 5.000 4.887 3.825 5.096 0.096 4 0 "[ . 1 . 2]" 1
296 1 62 LEU H 1 63 LYS H 3.200 . 4.000 2.782 2.515 2.913 . 0 0 "[ . 1 . 2]" 1
297 1 63 LYS H 1 64 PHE H 3.200 . 4.000 2.699 2.577 2.811 . 0 0 "[ . 1 . 2]" 1
298 1 64 PHE H 1 64 PHE HA 2.800 . 3.800 2.833 2.758 2.873 . 0 0 "[ . 1 . 2]" 1
299 1 64 PHE H 1 64 PHE HB2 2.700 . 3.600 2.115 2.066 2.208 . 0 0 "[ . 1 . 2]" 1
300 1 64 PHE H 1 64 PHE QB 2.800 . 3.800 2.089 2.044 2.148 . 0 0 "[ . 1 . 2]" 1
301 1 64 PHE H 1 64 PHE HB3 2.600 . 3.400 3.275 2.937 3.445 0.045 16 0 "[ . 1 . 2]" 1
302 1 64 PHE H 1 64 PHE QD 4.000 . 5.000 3.480 2.937 4.101 . 0 0 "[ . 1 . 2]" 1
303 1 64 PHE H 1 65 LEU H 3.200 . 4.000 2.638 2.480 2.804 . 0 0 "[ . 1 . 2]" 1
304 1 64 PHE H 1 69 LEU QD 5.000 2.800 6.000 6.399 6.119 6.824 0.824 2 5 "[ +* .* *1 . - 2]" 1
305 1 65 LEU H 1 65 LEU HA 2.800 . 3.800 2.785 2.773 2.800 . 0 0 "[ . 1 . 2]" 1
306 1 65 LEU H 1 66 LEU H 3.200 . 4.000 2.846 2.725 2.998 . 0 0 "[ . 1 . 2]" 1
307 1 65 LEU H 1 91 ILE QG 5.000 2.800 6.000 6.136 6.052 6.220 0.220 6 0 "[ . 1 . 2]" 1
308 1 65 LEU HA 1 68 GLU H 3.500 . 5.000 3.852 3.411 4.306 . 0 0 "[ . 1 . 2]" 1
309 1 66 LEU H 1 67 ARG H 3.200 . 4.000 2.536 2.385 2.788 . 0 0 "[ . 1 . 2]" 1
310 1 67 ARG H 1 67 ARG HB2 2.200 . 2.800 2.234 2.095 2.525 . 0 0 "[ . 1 . 2]" 1
311 1 67 ARG H 1 67 ARG QB 2.600 . 3.000 2.181 2.072 2.380 . 0 0 "[ . 1 . 2]" 1
312 1 67 ARG H 1 68 GLU H 3.200 . 4.000 2.687 2.450 2.928 . 0 0 "[ . 1 . 2]" 1
313 1 68 GLU H 1 69 LEU H 3.600 . 5.300 2.267 2.033 2.862 . 0 0 "[ . 1 . 2]" 1
314 1 69 LEU H 1 69 LEU HA 2.800 . 3.800 2.826 2.761 2.912 . 0 0 "[ . 1 . 2]" 1
315 1 69 LEU H 1 69 LEU QD 3.200 . 4.000 2.524 2.251 2.857 . 0 0 "[ . 1 . 2]" 1
316 1 69 LEU H 1 69 LEU HG 2.600 . 6.000 4.049 1.632 4.492 . 0 0 "[ . 1 . 2]" 1
317 1 69 LEU H 1 70 GLY H 3.600 2.800 4.400 4.222 3.887 4.425 0.025 13 0 "[ . 1 . 2]" 1
318 1 69 LEU H 1 71 THR H 4.400 . 6.000 5.376 5.058 5.782 . 0 0 "[ . 1 . 2]" 1
319 1 69 LEU H 1 91 ILE QG 4.000 . 5.000 8.130 6.808 8.762 3.762 20 20 [***********-*******+] 1
320 1 69 LEU HA 1 69 LEU QD 4.000 . 4.000 2.224 1.946 3.411 0.054 10 0 "[ . 1 . 2]" 1
321 1 69 LEU HA 1 70 GLY H 3.200 . 4.000 2.231 2.153 2.388 . 0 0 "[ . 1 . 2]" 1
322 1 69 LEU QD 1 70 GLY H 4.000 2.800 5.000 3.946 3.712 4.607 . 0 0 "[ . 1 . 2]" 1
323 1 69 LEU QD 1 91 ILE H 4.000 . 5.000 6.737 5.868 7.266 2.266 14 20 [*************+***-**] 1
324 1 69 LEU QD 1 91 ILE HA 4.000 . 5.000 7.849 6.869 8.455 3.455 14 20 [***********-*+******] 1
325 1 69 LEU QD 1 91 ILE MD 4.000 . 5.000 4.579 3.697 4.927 . 0 0 "[ . 1 . 2]" 1
326 1 69 LEU HG 1 70 GLY H 3.500 . 5.000 4.446 3.962 5.006 0.006 4 0 "[ . 1 . 2]" 1
327 1 69 LEU HG 1 91 ILE MD 4.000 . 5.000 7.445 6.183 7.872 2.872 10 20 [*********+*-********] 1
328 1 70 GLY H 1 70 GLY HA3 2.600 . 3.500 2.323 2.302 2.360 . 0 0 "[ . 1 . 2]" 1
329 1 70 GLY H 1 71 THR H 3.200 . 4.000 2.686 2.404 3.336 . 0 0 "[ . 1 . 2]" 1
330 1 71 THR H 1 71 THR HA 3.000 . 4.200 2.933 2.908 2.944 . 0 0 "[ . 1 . 2]" 1
331 1 71 THR H 1 71 THR HB 3.200 . 4.000 3.761 3.649 3.859 . 0 0 "[ . 1 . 2]" 1
332 1 71 THR H 1 71 THR HG1 3.200 . 4.000 3.269 2.768 3.841 . 0 0 "[ . 1 . 2]" 1
333 1 71 THR H 1 71 THR MG 3.000 . 6.000 2.265 1.837 2.699 . 0 0 "[ . 1 . 2]" 1
334 1 71 THR HA 1 71 THR HB 2.400 . 3.100 2.318 2.233 2.378 . 0 0 "[ . 1 . 2]" 1
335 1 71 THR HA 1 71 THR HG1 . . 3.800 3.458 3.305 3.610 . 0 0 "[ . 1 . 2]" 1
336 1 71 THR HA 1 72 ALA H 3.200 . 4.000 2.463 2.448 2.483 . 0 0 "[ . 1 . 2]" 1
337 1 71 THR HB 1 71 THR HG1 2.400 . 3.100 2.428 2.113 2.826 . 0 0 "[ . 1 . 2]" 1
338 1 71 THR HB 1 71 THR MG 2.400 . 3.100 2.101 2.068 2.119 . 0 0 "[ . 1 . 2]" 1
339 1 71 THR HB 1 72 ALA H 3.200 . 4.500 2.493 2.316 2.832 . 0 0 "[ . 1 . 2]" 1
340 1 71 THR HG1 1 72 ALA H 2.600 . 3.000 2.975 2.708 3.163 0.163 5 0 "[ . 1 . 2]" 1
341 1 71 THR HG1 1 82 LEU QB 5.000 2.800 6.000 5.537 5.094 5.841 . 0 0 "[ . 1 . 2]" 1
342 1 71 THR HG1 1 82 LEU QD 3.200 . 4.000 4.846 4.316 4.996 0.996 8 19 "[*-*****+*** ********]" 1
343 1 71 THR MG 1 72 ALA H 3.000 . 6.000 3.935 3.803 4.036 . 0 0 "[ . 1 . 2]" 1
344 1 72 ALA H 1 72 ALA HA 2.800 . 3.800 2.634 2.584 2.675 . 0 0 "[ . 1 . 2]" 1
345 1 72 ALA H 1 72 ALA MB 2.600 . 3.000 2.187 2.079 2.283 . 0 0 "[ . 1 . 2]" 1
346 1 72 ALA H 1 83 GLN HB2 2.700 . 6.000 5.753 4.826 6.419 0.419 6 0 "[ . 1 . 2]" 1
347 1 72 ALA H 1 83 GLN QB 3.200 . 4.000 4.395 4.038 4.667 0.667 19 7 "[ *.* -1 * .** +2]" 1
348 1 72 ALA H 1 83 GLN HB3 2.600 . 6.000 4.675 4.140 6.196 0.196 19 0 "[ . 1 . 2]" 1
349 1 72 ALA HA 1 72 ALA MB 2.100 . 2.700 2.109 2.082 2.126 . 0 0 "[ . 1 . 2]" 1
350 1 72 ALA HA 1 73 GLY H 2.600 . 3.000 3.576 3.563 3.589 0.589 10 20 [****-****+**********] 1
351 1 72 ALA MB 1 73 GLY H 2.600 . 3.000 2.153 1.961 2.458 . 0 0 "[ . 1 . 2]" 1
352 1 72 ALA MB 1 83 GLN H 4.400 3.000 5.200 5.194 4.954 5.251 0.051 13 0 "[ . 1 . 2]" 1
353 1 73 GLY H 1 73 GLY HA2 2.800 . 3.800 2.332 2.297 2.375 . 0 0 "[ . 1 . 2]" 1
354 1 73 GLY H 1 73 GLY HA3 2.900 . 4.000 2.890 2.825 2.932 . 0 0 "[ . 1 . 2]" 1
355 1 73 GLY QA 1 74 ASN H 2.600 . 3.000 2.155 2.109 2.196 . 0 0 "[ . 1 . 2]" 1
356 1 73 GLY QA 1 82 LEU HA 4.000 . 5.000 3.754 3.425 4.109 . 0 0 "[ . 1 . 2]" 1
357 1 73 GLY QA 1 82 LEU QD 4.000 . 5.000 3.381 2.529 3.876 . 0 0 "[ . 1 . 2]" 1
358 1 73 GLY QA 1 83 GLN H 4.000 . 5.000 2.231 1.983 2.602 . 0 0 "[ . 1 . 2]" 1
359 1 73 GLY HA2 1 74 ASN H 3.200 . 4.500 2.180 2.135 2.221 . 0 0 "[ . 1 . 2]" 1
360 1 73 GLY HA2 1 82 LEU QD 3.100 . 4.300 3.533 2.625 4.052 . 0 0 "[ . 1 . 2]" 1
361 1 73 GLY HA2 1 83 GLN H 4.200 . 6.000 2.244 1.993 2.623 0.007 2 0 "[ . 1 . 2]" 1
362 1 73 GLY HA3 1 74 ASN H 2.500 . 3.300 3.392 3.282 3.453 0.153 17 0 "[ . 1 . 2]" 1
363 1 73 GLY HA3 1 82 LEU HA 3.200 . 6.000 5.362 5.002 5.788 . 0 0 "[ . 1 . 2]" 1
364 1 73 GLY HA3 1 83 GLN H 3.400 . 4.800 3.902 3.575 4.344 . 0 0 "[ . 1 . 2]" 1
365 1 74 ASN H 1 74 ASN HA 2.900 . 4.000 2.859 2.842 2.875 . 0 0 "[ . 1 . 2]" 1
366 1 74 ASN H 1 74 ASN HB2 3.700 . 5.400 3.170 2.925 4.018 . 0 0 "[ . 1 . 2]" 1
367 1 74 ASN H 1 74 ASN QB 3.200 . 4.500 2.904 2.835 3.290 . 0 0 "[ . 1 . 2]" 1
368 1 74 ASN H 1 74 ASN HB3 3.000 . 4.100 3.486 3.077 3.890 . 0 0 "[ . 1 . 2]" 1
369 1 74 ASN H 1 75 LEU QB 3.200 . 6.000 5.914 5.518 6.039 0.039 1 0 "[ . 1 . 2]" 1
370 1 74 ASN H 1 82 LEU HA 3.300 . 6.000 2.487 2.248 2.852 . 0 0 "[ . 1 . 2]" 1
371 1 74 ASN HA 1 74 ASN HB2 2.500 . 3.300 2.746 2.440 2.995 . 0 0 "[ . 1 . 2]" 1
372 1 74 ASN HA 1 74 ASN QB 2.600 . 3.500 2.470 2.185 2.541 . 0 0 "[ . 1 . 2]" 1
373 1 74 ASN HA 1 74 ASN HB3 2.500 . 3.300 2.839 2.423 3.029 . 0 0 "[ . 1 . 2]" 1
374 1 75 LEU H 1 75 LEU HA 2.400 . 3.100 2.902 2.873 2.928 . 0 0 "[ . 1 . 2]" 1
375 1 75 LEU H 1 75 LEU QB 2.600 . 3.000 2.556 2.069 3.025 0.025 17 0 "[ . 1 . 2]" 1
376 1 75 LEU H 1 75 LEU MD1 2.600 . 3.000 2.480 1.810 3.010 0.010 7 0 "[ . 1 . 2]" 1
377 1 75 LEU HA 1 75 LEU QB 2.400 . 3.100 2.291 2.138 2.527 . 0 0 "[ . 1 . 2]" 1
378 1 75 LEU HA 1 75 LEU HB3 2.400 . 3.100 2.447 2.224 2.908 . 0 0 "[ . 1 . 2]" 1
379 1 75 LEU HA 1 75 LEU MD1 3.200 . 4.000 3.087 1.997 3.945 . 0 0 "[ . 1 . 2]" 1
380 1 75 LEU HA 1 80 ALA HA 3.200 . 4.000 2.956 2.506 3.334 . 0 0 "[ . 1 . 2]" 1
381 1 76 GLU H 1 76 GLU HA 2.900 . 3.900 2.940 2.937 2.944 . 0 0 "[ . 1 . 2]" 1
382 1 76 GLU H 1 76 GLU HB2 3.200 . 4.500 2.496 2.282 3.072 . 0 0 "[ . 1 . 2]" 1
383 1 76 GLU H 1 76 GLU QB 3.300 . 4.600 2.361 2.248 2.789 . 0 0 "[ . 1 . 2]" 1
384 1 76 GLU H 1 76 GLU HB3 3.300 . 4.700 3.252 2.395 3.758 . 0 0 "[ . 1 . 2]" 1
385 1 76 GLU H 1 80 ALA HA 2.600 . 6.000 3.553 3.234 4.038 . 0 0 "[ . 1 . 2]" 1
386 1 78 GLY QA 1 79 ARG H 3.200 . 4.000 2.762 2.105 2.909 . 0 0 "[ . 1 . 2]" 1
387 1 78 GLY HA2 1 79 ARG H 3.100 . 4.300 3.479 3.254 3.560 . 0 0 "[ . 1 . 2]" 1
388 1 78 GLY HA3 1 79 ARG H 3.500 . 5.100 2.909 2.131 3.197 . 0 0 "[ . 1 . 2]" 1
389 1 79 ARG H 1 79 ARG HA 2.900 . 4.000 2.914 2.902 2.941 . 0 0 "[ . 1 . 2]" 1
390 1 79 ARG H 1 79 ARG HB2 2.400 . 3.100 2.657 2.192 3.654 0.554 20 3 "[ * . 1 . - +]" 1
391 1 79 ARG H 1 79 ARG QB 3.300 . 4.600 2.458 2.161 2.833 . 0 0 "[ . 1 . 2]" 1
392 1 79 ARG H 1 79 ARG HB3 3.300 . 4.600 3.310 2.625 3.724 . 0 0 "[ . 1 . 2]" 1
393 1 79 ARG H 1 79 ARG HD2 4.200 . 6.000 4.390 2.204 5.847 . 0 0 "[ . 1 . 2]" 1
394 1 79 ARG H 1 79 ARG QD 4.000 . 5.000 3.745 2.124 4.734 . 0 0 "[ . 1 . 2]" 1
395 1 79 ARG H 1 79 ARG QG 3.200 . 4.000 2.914 1.861 4.088 0.088 8 0 "[ . 1 . 2]" 1
396 1 79 ARG H 1 79 ARG HG3 3.400 . 4.800 3.654 2.341 4.591 . 0 0 "[ . 1 . 2]" 1
397 1 79 ARG HA 1 79 ARG HB2 2.900 . 3.900 2.841 2.381 3.024 . 0 0 "[ . 1 . 2]" 1
398 1 79 ARG HA 1 79 ARG QB 2.900 . 3.900 2.367 2.175 2.543 . 0 0 "[ . 1 . 2]" 1
399 1 79 ARG HA 1 79 ARG HB3 2.600 . 3.400 2.591 2.304 2.977 . 0 0 "[ . 1 . 2]" 1
400 1 79 ARG HA 1 79 ARG HD2 3.300 . 4.700 3.949 1.974 5.486 0.786 20 2 "[ - . 1 . +]" 1
401 1 79 ARG HA 1 79 ARG QD 4.000 . 5.000 3.244 1.912 4.665 . 0 0 "[ . 1 . 2]" 1
402 1 79 ARG HA 1 79 ARG HD3 3.300 . 4.600 3.633 1.938 5.049 0.449 20 0 "[ . 1 . 2]" 1
403 1 79 ARG HA 1 79 ARG HG3 3.200 . 4.500 3.204 2.035 3.997 . 0 0 "[ . 1 . 2]" 1
404 1 79 ARG HA 1 80 ALA H 2.700 . 3.600 2.920 2.712 3.557 . 0 0 "[ . 1 . 2]" 1
405 1 79 ARG QB 1 80 ALA H 3.300 . 4.700 1.987 1.866 2.301 0.034 16 0 "[ . 1 . 2]" 1
406 1 79 ARG HB2 1 80 ALA H 2.900 . 4.000 2.744 1.919 3.586 . 0 0 "[ . 1 . 2]" 1
407 1 79 ARG HB3 1 80 ALA H 2.900 . 3.900 2.293 1.908 3.508 . 0 0 "[ . 1 . 2]" 1
408 1 79 ARG QD 1 80 ALA H 3.200 . 4.000 3.849 3.206 4.058 0.058 3 0 "[ . 1 . 2]" 1
409 1 79 ARG HD2 1 80 ALA H 3.700 . 5.400 4.606 3.478 5.346 . 0 0 "[ . 1 . 2]" 1
410 1 80 ALA H 1 80 ALA MB 3.200 . 3.900 2.333 2.185 2.767 . 0 0 "[ . 1 . 2]" 1
411 1 80 ALA HA 1 80 ALA MB 2.400 . 3.100 2.099 2.079 2.126 . 0 0 "[ . 1 . 2]" 1
412 1 80 ALA HA 1 81 ILE H 2.600 . 3.000 2.375 2.251 2.546 . 0 0 "[ . 1 . 2]" 1
413 1 81 ILE H 1 81 ILE HB 2.600 . 3.400 2.577 2.347 2.784 . 0 0 "[ . 1 . 2]" 1
414 1 81 ILE H 1 81 ILE MD 3.200 . 4.000 3.263 2.489 3.558 . 0 0 "[ . 1 . 2]" 1
415 1 81 ILE H 1 81 ILE HG12 3.500 . 5.000 3.565 2.098 4.327 . 0 0 "[ . 1 . 2]" 1
416 1 81 ILE H 1 81 ILE QG 3.200 . 4.000 2.322 1.883 3.436 . 0 0 "[ . 1 . 2]" 1
417 1 81 ILE HA 1 81 ILE MD 4.000 . 5.000 3.681 2.031 3.992 . 0 0 "[ . 1 . 2]" 1
418 1 81 ILE HA 1 81 ILE HG12 3.000 . 4.100 2.926 2.675 3.443 . 0 0 "[ . 1 . 2]" 1
419 1 81 ILE HA 1 82 LEU H 2.600 . 3.400 2.259 2.217 2.332 . 0 0 "[ . 1 . 2]" 1
420 1 82 LEU H 1 82 LEU QB 3.200 . 3.800 2.682 2.599 2.802 . 0 0 "[ . 1 . 2]" 1
421 1 82 LEU H 1 82 LEU QD 3.200 . 4.000 2.901 2.568 3.046 . 0 0 "[ . 1 . 2]" 1
422 1 82 LEU HA 1 82 LEU QB 3.200 . 4.300 2.168 2.160 2.173 . 0 0 "[ . 1 . 2]" 1
423 1 82 LEU HA 1 82 LEU QD 3.200 . 4.000 3.374 3.332 3.404 . 0 0 "[ . 1 . 2]" 1
424 1 82 LEU QB 1 82 LEU QD 4.000 . 4.100 1.792 1.729 1.860 0.171 2 0 "[ . 1 . 2]" 1
425 1 82 LEU QD 1 91 ILE MD 3.200 . 4.000 3.677 3.075 3.916 . 0 0 "[ . 1 . 2]" 1
426 1 83 GLN H 1 83 GLN HA 3.000 . 4.100 2.930 2.916 2.940 . 0 0 "[ . 1 . 2]" 1
427 1 83 GLN H 1 83 GLN HB2 3.000 . 4.200 2.968 2.654 3.782 . 0 0 "[ . 1 . 2]" 1
428 1 83 GLN H 1 83 GLN QB 3.200 . 4.000 2.686 2.574 3.228 . 0 0 "[ . 1 . 2]" 1
429 1 83 GLN H 1 83 GLN HB3 2.600 . 3.500 3.156 2.783 3.508 0.008 17 0 "[ . 1 . 2]" 1
430 1 83 GLN H 1 84 GLY H 4.000 . 6.000 4.274 4.099 4.447 . 0 0 "[ . 1 . 2]" 1
431 1 83 GLN HA 1 84 GLY H 2.600 . 3.000 2.195 2.132 2.331 . 0 0 "[ . 1 . 2]" 1
432 1 83 GLN QB 1 84 GLY H 4.200 . 6.000 3.509 3.230 3.818 . 0 0 "[ . 1 . 2]" 1
433 1 83 GLN HB2 1 84 GLY H 3.600 . 5.300 4.251 3.392 4.557 . 0 0 "[ . 1 . 2]" 1
434 1 83 GLN HB3 1 84 GLY H 4.300 . 6.000 3.794 3.385 4.164 . 0 0 "[ . 1 . 2]" 1
435 1 84 GLY H 1 84 GLY HA2 2.800 . 3.800 2.735 2.532 2.864 . 0 0 "[ . 1 . 2]" 1
436 1 84 GLY QA 1 85 LYS H 3.200 . 4.000 2.176 2.085 2.496 . 0 0 "[ . 1 . 2]" 1
437 1 84 GLY HA2 1 85 LYS H 3.000 . 4.100 3.351 3.139 3.582 . 0 0 "[ . 1 . 2]" 1
438 1 84 GLY HA3 1 85 LYS H 2.900 . 3.900 2.205 2.110 2.548 . 0 0 "[ . 1 . 2]" 1
439 1 86 PHE HA 1 86 PHE HB2 2.800 . 3.800 2.914 2.870 2.957 . 0 0 "[ . 1 . 2]" 1
440 1 86 PHE HA 1 86 PHE HB3 3.000 . 4.100 2.780 2.709 2.842 . 0 0 "[ . 1 . 2]" 1
441 1 86 PHE HA 1 91 ILE MD 4.000 . 5.000 4.235 3.801 4.636 . 0 0 "[ . 1 . 2]" 1
442 1 86 PHE QB 1 91 ILE MD 4.000 . 5.000 2.422 1.871 2.780 . 0 0 "[ . 1 . 2]" 1
443 1 86 PHE HB2 1 89 PHE HB2 2.800 . 7.900 6.165 5.564 6.756 . 0 0 "[ . 1 . 2]" 1
444 1 87 THR H 1 87 THR HB 3.200 . 4.500 3.269 2.311 3.637 . 0 0 "[ . 1 . 2]" 1
445 1 87 THR H 1 87 THR HG1 3.200 . 4.000 3.028 2.047 4.167 0.167 5 0 "[ . 1 . 2]" 1
446 1 87 THR H 1 87 THR MG 3.200 . 4.500 2.762 1.895 3.768 0.005 13 0 "[ . 1 . 2]" 1
447 1 87 THR HA 1 87 THR HB 2.800 . 3.800 2.628 2.366 3.021 . 0 0 "[ . 1 . 2]" 1
448 1 87 THR HA 1 89 PHE H 3.100 . 4.300 4.253 4.185 4.336 0.036 14 0 "[ . 1 . 2]" 1
449 1 88 HIS HA 1 88 HIS QB 2.600 . 3.400 2.277 2.175 2.545 . 0 0 "[ . 1 . 2]" 1
450 1 88 HIS HA 1 91 ILE HB 4.000 . 5.000 2.762 2.307 3.248 . 0 0 "[ . 1 . 2]" 1
451 1 88 HIS HA 1 91 ILE QG 4.000 . 5.000 3.870 3.268 4.590 . 0 0 "[ . 1 . 2]" 1
452 1 88 HIS QB 1 89 PHE QB 3.100 . 7.500 5.292 5.007 5.454 . 0 0 "[ . 1 . 2]" 1
453 1 89 PHE H 1 89 PHE HA 2.400 . 3.100 2.914 2.907 2.919 . 0 0 "[ . 1 . 2]" 1
454 1 89 PHE H 1 89 PHE HB2 3.100 . 4.300 2.238 2.190 2.406 . 0 0 "[ . 1 . 2]" 1
455 1 89 PHE H 1 89 PHE QB 3.300 . 4.600 2.205 2.161 2.332 . 0 0 "[ . 1 . 2]" 1
456 1 89 PHE H 1 89 PHE HB3 3.400 . 4.800 3.370 2.963 3.605 . 0 0 "[ . 1 . 2]" 1
457 1 89 PHE H 1 90 LEU H 3.200 . 4.500 2.862 2.696 3.015 . 0 0 "[ . 1 . 2]" 1
458 1 89 PHE QB 1 90 LEU H 3.500 . 5.100 1.992 1.889 2.163 0.011 3 0 "[ . 1 . 2]" 1
459 1 89 PHE HB2 1 90 LEU H 3.000 . 4.100 2.519 2.043 3.121 . 0 0 "[ . 1 . 2]" 1
460 1 89 PHE HB3 1 90 LEU H 3.400 . 4.900 2.128 1.905 2.413 . 0 0 "[ . 1 . 2]" 1
461 1 90 LEU H 1 90 LEU HA 3.000 . 4.100 2.837 2.803 2.874 . 0 0 "[ . 1 . 2]" 1
462 1 90 LEU H 1 91 ILE H 3.200 . 4.000 2.565 2.445 2.661 . 0 0 "[ . 1 . 2]" 1
463 1 90 LEU H 1 93 GLU H 4.200 . 6.000 4.877 4.639 5.067 . 0 0 "[ . 1 . 2]" 1
464 1 91 ILE H 1 91 ILE HA 2.900 . 4.000 2.792 2.774 2.841 . 0 0 "[ . 1 . 2]" 1
465 1 91 ILE H 1 91 ILE HB 2.600 . 3.000 2.700 2.599 2.809 . 0 0 "[ . 1 . 2]" 1
466 1 91 ILE H 1 91 ILE QG 3.200 . 4.000 1.945 1.804 2.135 . 0 0 "[ . 1 . 2]" 1
467 1 91 ILE H 1 92 ASN H 3.200 . 4.000 2.952 2.788 3.032 . 0 0 "[ . 1 . 2]" 1
468 1 91 ILE HA 1 91 ILE HB 3.000 . 4.100 3.015 3.007 3.025 . 0 0 "[ . 1 . 2]" 1
469 1 91 ILE HA 1 91 ILE MD 4.000 . 5.000 3.812 3.691 3.920 . 0 0 "[ . 1 . 2]" 1
470 1 91 ILE HA 1 92 ASN H 3.800 . 5.600 3.562 3.543 3.586 . 0 0 "[ . 1 . 2]" 1
471 1 91 ILE HB 1 91 ILE MD 3.200 . 4.000 2.512 2.296 2.707 . 0 0 "[ . 1 . 2]" 1
472 1 92 ASN H 1 92 ASN HA 3.000 . 4.100 2.764 2.748 2.780 . 0 0 "[ . 1 . 2]" 1
473 1 92 ASN H 1 92 ASN QB 3.200 . 4.000 2.154 2.024 2.255 . 0 0 "[ . 1 . 2]" 1
474 1 92 ASN H 1 92 ASN HB3 3.000 . 4.100 2.887 2.446 3.369 . 0 0 "[ . 1 . 2]" 1
475 1 92 ASN HA 1 92 ASN HB3 3.000 . 4.100 2.978 2.817 3.025 . 0 0 "[ . 1 . 2]" 1
476 1 92 ASN HA 1 95 ILE CB 4.000 . 5.000 3.678 3.317 3.893 . 0 0 "[ . 1 . 2]" 1
477 1 93 GLU H 1 96 GLU H 2.000 . 6.000 4.824 4.727 4.917 . 0 0 "[ . 1 . 2]" 1
478 1 94 ARG H 1 95 ILE H 3.200 . 4.000 2.772 2.576 2.842 . 0 0 "[ . 1 . 2]" 1
479 1 95 ILE H 1 95 ILE HB 2.600 . 3.000 2.513 2.336 2.744 . 0 0 "[ . 1 . 2]" 1
480 1 95 ILE HA 1 95 ILE MD 4.000 . 5.000 3.672 2.315 3.903 . 0 0 "[ . 1 . 2]" 1
481 1 96 GLU H 1 97 ASP H 3.200 . 4.000 2.724 2.638 2.801 . 0 0 "[ . 1 . 2]" 1
482 1 97 ASP H 1 98 TYR H 3.200 . 4.000 2.623 2.442 2.880 . 0 0 "[ . 1 . 2]" 1
483 1 97 ASP H 1 100 ASN H 3.600 . 5.200 4.443 4.222 4.696 . 0 0 "[ . 1 . 2]" 1
484 1 98 TYR H 1 99 VAL H 3.200 . 4.000 2.563 2.491 2.640 . 0 0 "[ . 1 . 2]" 1
485 1 98 TYR H 1 101 LYS H 3.600 . 5.200 5.287 5.220 5.337 0.137 14 0 "[ . 1 . 2]" 1
486 1 99 VAL H 1 100 ASN H 3.200 . 4.000 2.812 2.684 2.939 . 0 0 "[ . 1 . 2]" 1
487 1 99 VAL HA 1 100 ASN H 4.000 . 5.000 3.556 3.533 3.586 . 0 0 "[ . 1 . 2]" 1
488 1 100 ASN H 1 100 ASN HA 2.700 . 3.600 2.939 2.929 2.944 . 0 0 "[ . 1 . 2]" 1
489 1 100 ASN H 1 101 LYS H 3.200 . 4.000 3.117 3.020 3.218 . 0 0 "[ . 1 . 2]" 1
490 1 101 LYS H 1 101 LYS HA 2.800 . 3.800 2.887 2.875 2.899 . 0 0 "[ . 1 . 2]" 1
491 1 101 LYS H 1 101 LYS QB 3.200 . 4.000 2.548 2.220 2.836 . 0 0 "[ . 1 . 2]" 1
492 1 101 LYS H 1 101 LYS HB3 3.100 . 4.300 2.693 2.394 2.965 . 0 0 "[ . 1 . 2]" 1
493 1 101 LYS H 1 102 PHE H 4.000 . 5.000 2.474 2.350 2.611 . 0 0 "[ . 1 . 2]" 1
494 1 101 LYS HA 1 102 PHE H 3.700 . 5.400 3.335 3.229 3.510 . 0 0 "[ . 1 . 2]" 1
495 1 101 LYS HA 1 105 CYS HA 4.000 . 5.000 5.041 4.866 5.154 0.154 6 0 "[ . 1 . 2]" 1
496 1 102 PHE H 1 103 VAL H 3.200 . 4.000 2.672 2.525 2.921 . 0 0 "[ . 1 . 2]" 1
497 1 102 PHE H 1 104 ILE H 4.000 . 5.000 3.645 3.476 4.112 . 0 0 "[ . 1 . 2]" 1
498 1 102 PHE HA 1 103 VAL H 3.300 . 4.700 3.571 3.553 3.591 . 0 0 "[ . 1 . 2]" 1
499 1 102 PHE HA 1 105 CYS H 4.000 . 5.000 4.217 3.902 4.581 . 0 0 "[ . 1 . 2]" 1
500 1 103 VAL H 1 104 ILE H 2.600 . 3.000 2.439 2.250 2.598 . 0 0 "[ . 1 . 2]" 1
501 1 103 VAL HA 1 104 ILE H 4.000 . 5.000 3.408 3.269 3.515 . 0 0 "[ . 1 . 2]" 1
502 1 103 VAL HA 1 105 CYS H 4.000 . 6.000 4.942 4.748 5.086 . 0 0 "[ . 1 . 2]" 1
503 1 103 VAL HA 1 106 HIS H 3.000 . 6.000 4.018 3.590 4.689 . 0 0 "[ . 1 . 2]" 1
504 1 104 ILE H 1 104 ILE HB 3.200 . 4.000 2.701 2.238 3.716 . 0 0 "[ . 1 . 2]" 1
505 1 104 ILE H 1 105 CYS H 4.000 . 5.000 2.380 2.136 2.676 . 0 0 "[ . 1 . 2]" 1
506 1 105 CYS HA 1 106 HIS H 3.200 . 4.000 3.143 2.828 3.324 . 0 0 "[ . 1 . 2]" 1
507 1 106 HIS H 1 106 HIS QB 3.300 . 4.600 3.250 2.869 3.441 . 0 0 "[ . 1 . 2]" 1
508 1 106 HIS H 1 106 HIS HB3 3.200 . 4.500 4.050 3.916 4.119 . 0 0 "[ . 1 . 2]" 1
509 1 106 HIS H 1 107 GLU H 3.200 . 4.000 2.796 2.652 2.950 . 0 0 "[ . 1 . 2]" 1
510 1 106 HIS H 1 108 CYS QB 3.200 . 4.000 5.579 5.248 5.778 1.778 20 20 [***************-***+] 1
511 1 107 GLU H 1 107 GLU HA 2.900 . 3.900 2.279 2.266 2.291 . 0 0 "[ . 1 . 2]" 1
512 1 107 GLU H 1 107 GLU QB 2.700 . 3.600 2.857 2.765 3.047 . 0 0 "[ . 1 . 2]" 1
513 1 107 GLU H 1 107 GLU HB3 2.900 . 3.900 3.358 2.915 3.896 . 0 0 "[ . 1 . 2]" 1
514 1 107 GLU H 1 107 GLU QG 2.600 . 3.000 3.781 3.038 4.409 1.409 13 14 "[* *.** *1**+***-**2]" 1
515 1 107 GLU H 1 108 CYS H 3.200 . 4.000 3.276 3.170 3.350 . 0 0 "[ . 1 . 2]" 1
516 1 107 GLU H 1 108 CYS HB2 4.100 . 6.000 4.949 4.808 5.072 . 0 0 "[ . 1 . 2]" 1
517 1 107 GLU H 1 108 CYS QB 4.900 . 6.000 4.763 4.638 4.879 . 0 0 "[ . 1 . 2]" 1
518 1 107 GLU H 1 108 CYS HB3 5.100 . 6.000 6.204 6.031 6.368 0.368 6 0 "[ . 1 . 2]" 1
519 1 107 GLU HA 1 108 CYS H 3.400 . 4.800 2.387 2.336 2.449 . 0 0 "[ . 1 . 2]" 1
520 1 107 GLU QB 1 108 CYS H 3.200 . 4.000 3.977 3.860 4.069 0.069 19 0 "[ . 1 . 2]" 1
521 1 107 GLU HB3 1 108 CYS H 3.100 . 6.000 4.490 4.295 4.635 . 0 0 "[ . 1 . 2]" 1
522 1 107 GLU HB3 1 108 CYS HB2 6.000 . 6.000 6.426 6.138 6.742 0.742 2 8 "[ +* ** *-* . *]" 1
523 1 107 GLU QG 1 108 CYS H 3.200 . 4.000 4.055 3.770 4.472 0.472 5 0 "[ . 1 . 2]" 1
524 1 108 CYS H 1 108 CYS HB2 3.000 . 4.100 2.183 2.106 2.276 . 0 0 "[ . 1 . 2]" 1
525 1 108 CYS H 1 108 CYS QB 3.200 . 4.000 2.131 2.074 2.195 . 0 0 "[ . 1 . 2]" 1
526 1 108 CYS H 1 108 CYS HB3 3.200 . 4.500 2.987 2.879 3.117 . 0 0 "[ . 1 . 2]" 1
527 1 108 CYS H 1 109 ASN H 2.600 . 3.400 3.546 3.226 3.789 0.389 10 0 "[ . 1 . 2]" 1
528 1 109 ASN H 1 109 ASN HA 3.000 . 4.100 2.852 2.836 2.857 . 0 0 "[ . 1 . 2]" 1
529 1 109 ASN H 1 109 ASN QB 3.500 . 5.000 2.176 2.068 2.381 . 0 0 "[ . 1 . 2]" 1
530 1 109 ASN H 1 109 ASN HB3 3.500 . 5.000 3.098 2.473 3.589 . 0 0 "[ . 1 . 2]" 1
531 1 112 ASP H 1 112 ASP HA 2.900 . 4.000 2.908 2.881 2.934 . 0 0 "[ . 1 . 2]" 1
532 1 112 ASP H 1 112 ASP HB2 3.100 . 4.300 2.643 2.109 3.621 . 0 0 "[ . 1 . 2]" 1
533 1 112 ASP H 1 112 ASP QB 3.200 . 4.000 2.402 2.085 2.775 . 0 0 "[ . 1 . 2]" 1
534 1 112 ASP H 1 112 ASP HB3 2.800 . 3.800 3.213 2.560 3.682 . 0 0 "[ . 1 . 2]" 1
535 1 112 ASP H 1 113 THR H 4.000 . 5.000 2.698 2.115 3.293 . 0 0 "[ . 1 . 2]" 1
536 1 112 ASP H 1 113 THR HG1 4.000 2.600 4.800 4.375 3.135 6.718 1.918 17 4 "[ * . 1 . + -*]" 1
537 1 112 ASP HA 1 113 THR H 3.200 . 4.000 3.072 2.707 3.391 . 0 0 "[ . 1 . 2]" 1
538 1 112 ASP QB 1 113 THR H 4.100 . 6.000 3.624 3.116 4.035 . 0 0 "[ . 1 . 2]" 1
539 1 112 ASP HB2 1 113 THR H 4.300 . 6.000 4.051 3.246 4.542 . 0 0 "[ . 1 . 2]" 1
540 1 112 ASP HB3 1 113 THR H 4.200 . 6.000 4.165 3.243 4.641 . 0 0 "[ . 1 . 2]" 1
541 1 113 THR H 1 113 THR HB 4.000 . 6.000 3.478 2.934 3.862 . 0 0 "[ . 1 . 2]" 1
542 1 113 THR H 1 113 THR HG1 3.200 . 4.000 3.035 1.909 4.784 0.784 2 1 "[ + . 1 . 2]" 1
543 1 113 THR H 1 113 THR MG 3.200 . 4.500 3.183 2.106 3.925 . 0 0 "[ . 1 . 2]" 1
544 1 113 THR H 1 114 ARG H 4.300 . 6.000 4.419 4.381 4.446 . 0 0 "[ . 1 . 2]" 1
545 1 113 THR HA 1 114 ARG H 3.200 . 4.000 2.560 2.539 2.589 . 0 0 "[ . 1 . 2]" 1
546 1 113 THR HB 1 114 ARG H 3.200 . 4.000 2.528 2.152 3.627 . 0 0 "[ . 1 . 2]" 1
547 1 113 THR HB 1 115 ILE HG12 6.000 . 6.000 4.933 3.411 6.011 0.011 2 0 "[ . 1 . 2]" 1
548 1 113 THR HG1 1 114 ARG H 4.200 2.800 5.000 3.960 1.959 4.677 0.841 17 1 "[ . 1 . + 2]" 1
549 1 113 THR MG 1 114 ARG H 3.700 . 5.400 3.073 1.801 3.853 0.199 6 0 "[ . 1 . 2]" 1
550 1 114 ARG H 1 115 ILE HB 3.500 . 6.000 6.554 6.264 7.005 1.005 2 8 "[*+ *. 1- ** **]" 1
551 1 114 ARG HA 1 115 ILE H 2.600 . 3.000 2.167 2.099 2.217 . 0 0 "[ . 1 . 2]" 1
552 1 115 ILE H 1 115 ILE HA 2.600 . 3.400 2.930 2.891 2.949 . 0 0 "[ . 1 . 2]" 1
553 1 115 ILE H 1 115 ILE HB 2.600 . 3.000 2.777 2.505 3.500 0.500 2 0 "[ . 1 . 2]" 1
554 1 115 ILE H 1 115 ILE HG12 3.500 . 5.100 3.264 2.011 4.209 . 0 0 "[ . 1 . 2]" 1
555 1 115 ILE H 1 115 ILE QG 3.200 . 4.000 2.406 1.822 3.083 . 0 0 "[ . 1 . 2]" 1
556 1 116 ILE H 1 116 ILE HA 2.900 . 3.900 2.929 2.911 2.945 . 0 0 "[ . 1 . 2]" 1
557 1 116 ILE H 1 117 ARG H 2.700 . 6.000 4.291 4.208 4.373 . 0 0 "[ . 1 . 2]" 1
558 1 117 ARG H 1 117 ARG HA 2.900 . 4.000 2.935 2.909 2.950 . 0 0 "[ . 1 . 2]" 1
559 1 117 ARG H 1 117 ARG HB2 3.200 . 4.500 3.176 2.689 3.884 . 0 0 "[ . 1 . 2]" 1
560 1 117 ARG H 1 117 ARG QB 3.200 . 4.000 2.746 2.432 3.121 . 0 0 "[ . 1 . 2]" 1
561 1 117 ARG H 1 117 ARG HB3 3.100 . 4.300 3.085 2.487 3.291 . 0 0 "[ . 1 . 2]" 1
562 1 117 ARG H 1 117 ARG QG 2.600 . 3.000 3.685 2.340 4.196 1.196 20 14 "[* **** * * ***.*-* +]" 1
563 1 117 ARG H 1 117 ARG HG3 2.700 . 6.000 4.421 3.757 4.822 . 0 0 "[ . 1 . 2]" 1
564 1 117 ARG H 1 118 GLU H 3.700 2.900 4.100 4.272 4.086 4.380 0.280 15 0 "[ . 1 . 2]" 1
565 1 117 ARG H 1 138 VAL QG 3.200 . 4.000 12.500 9.006 14.992 10.992 10 20 [*****-***+**********] 1
566 1 117 ARG HA 1 118 GLU H 2.200 . 2.800 2.159 2.130 2.202 . 0 0 "[ . 1 . 2]" 1
567 1 118 GLU H 1 118 GLU HB2 2.800 . 3.800 3.340 2.961 3.873 0.073 4 0 "[ . 1 . 2]" 1
568 1 118 GLU H 1 118 GLU QB 3.300 . 4.700 2.737 2.468 3.152 . 0 0 "[ . 1 . 2]" 1
569 1 118 GLU H 1 118 GLU HB3 3.100 . 4.300 2.960 2.558 3.835 . 0 0 "[ . 1 . 2]" 1
570 1 120 ARG H 1 121 ILE H 4.000 . 5.000 3.013 2.764 3.378 . 0 0 "[ . 1 . 2]" 1
571 1 120 ARG HA 1 121 ILE H 2.900 . 4.000 2.491 2.385 2.725 . 0 0 "[ . 1 . 2]" 1
572 1 121 ILE H 1 121 ILE HA 2.700 . 3.600 2.276 2.262 2.285 . 0 0 "[ . 1 . 2]" 1
573 1 121 ILE H 1 121 ILE HB 3.200 . 4.000 3.588 2.866 3.827 . 0 0 "[ . 1 . 2]" 1
574 1 121 ILE H 1 121 ILE MD 4.000 . 5.000 3.976 2.444 4.929 . 0 0 "[ . 1 . 2]" 1
575 1 121 ILE H 1 121 ILE QG 3.200 . 3.300 2.880 2.381 4.067 0.767 7 3 "[ . + 1 - * 2]" 1
576 1 121 ILE H 1 122 SER H 4.000 . 5.000 2.823 2.519 3.198 . 0 0 "[ . 1 . 2]" 1
577 1 121 ILE H 1 122 SER HA 2.500 . 6.000 5.320 5.133 5.566 . 0 0 "[ . 1 . 2]" 1
578 1 121 ILE HA 1 138 VAL HA 6.000 . 6.000 18.908 12.613 22.013 16.013 4 20 [***+****-***********] 1
579 1 122 SER H 1 122 SER HB2 3.500 . 5.000 2.958 2.524 3.943 . 0 0 "[ . 1 . 2]" 1
580 1 122 SER H 1 122 SER QB 3.200 . 4.500 2.654 2.453 3.227 . 0 0 "[ . 1 . 2]" 1
581 1 122 SER H 1 122 SER HB3 3.100 . 4.300 3.280 2.592 3.923 . 0 0 "[ . 1 . 2]" 1
582 1 122 SER H 1 123 LEU H 4.000 . 5.000 1.917 1.726 2.099 0.074 3 0 "[ . 1 . 2]" 1
583 1 122 SER HA 1 123 LEU H 3.400 2.600 3.800 3.527 3.479 3.568 . 0 0 "[ . 1 . 2]" 1
584 1 122 SER QB 1 123 LEU H 4.000 . 5.000 2.805 2.434 3.503 . 0 0 "[ . 1 . 2]" 1
585 1 122 SER HB2 1 123 LEU H 3.300 . 4.700 3.390 2.523 4.209 . 0 0 "[ . 1 . 2]" 1
586 1 122 SER HB3 1 123 LEU H 3.800 . 5.600 3.212 2.496 4.130 . 0 0 "[ . 1 . 2]" 1
587 1 123 LEU HA 1 124 LEU H 3.200 . 4.000 2.317 2.236 2.390 . 0 0 "[ . 1 . 2]" 1
588 1 124 LEU HA 1 125 LYS H 2.600 . 3.000 2.339 2.216 2.502 . 0 0 "[ . 1 . 2]" 1
589 1 125 LYS H 1 125 LYS HA 3.000 . 4.100 2.949 2.942 2.959 . 0 0 "[ . 1 . 2]" 1
590 1 125 LYS HA 1 126 CYS H 2.600 . 3.000 2.229 2.174 2.273 . 0 0 "[ . 1 . 2]" 1
591 1 126 CYS H 1 126 CYS HB2 3.200 . 4.500 2.685 2.589 2.760 . 0 0 "[ . 1 . 2]" 1
592 1 126 CYS H 1 126 CYS QB 3.200 . 4.500 2.629 2.540 2.702 . 0 0 "[ . 1 . 2]" 1
593 1 126 CYS H 1 126 CYS HB3 3.100 . 4.300 3.754 3.622 3.846 . 0 0 "[ . 1 . 2]" 1
594 1 126 CYS H 1 131 ALA MB 3.200 . 4.000 4.508 4.319 4.588 0.588 7 14 "[* * - +**** ** ****]" 1
595 1 126 CYS H 1 132 LYS QB 3.200 . 4.000 1.915 1.574 2.145 0.226 7 0 "[ . 1 . 2]" 1
596 1 126 CYS H 1 132 LYS HB3 2.900 . 6.000 2.653 2.289 3.299 . 0 0 "[ . 1 . 2]" 1
597 1 126 CYS HA 1 127 GLU H 2.700 . 3.600 2.673 2.418 2.785 . 0 0 "[ . 1 . 2]" 1
598 1 126 CYS QB 1 130 GLY H 4.000 . 5.000 4.506 4.340 4.642 . 0 0 "[ . 1 . 2]" 1
599 1 126 CYS QB 1 131 ALA H 3.200 . 4.000 3.597 3.425 3.882 . 0 0 "[ . 1 . 2]" 1
600 1 126 CYS HB2 1 130 GLY H 3.200 . 6.000 5.855 5.578 6.209 0.209 14 0 "[ . 1 . 2]" 1
601 1 126 CYS HB2 1 131 ALA H 3.000 . 6.000 3.952 3.641 4.537 . 0 0 "[ . 1 . 2]" 1
602 1 126 CYS HB3 1 130 GLY H 3.500 . 5.000 4.686 4.511 4.865 . 0 0 "[ . 1 . 2]" 1
603 1 126 CYS HB3 1 131 ALA H 3.100 . 4.300 4.169 4.124 4.224 . 0 0 "[ . 1 . 2]" 1
604 1 127 GLU H 1 127 GLU QB 3.200 . 4.000 2.363 2.100 2.715 . 0 0 "[ . 1 . 2]" 1
605 1 127 GLU H 1 127 GLU HB3 3.100 . 4.300 2.958 2.429 3.598 . 0 0 "[ . 1 . 2]" 1
606 1 127 GLU H 1 127 GLU HG2 3.800 . 5.600 3.319 1.856 4.673 0.144 20 0 "[ . 1 . 2]" 1
607 1 127 GLU H 1 127 GLU QG 4.000 . 5.000 2.958 1.832 4.043 . 0 0 "[ . 1 . 2]" 1
608 1 127 GLU H 1 127 GLU HG3 3.700 . 5.400 3.518 2.223 4.594 . 0 0 "[ . 1 . 2]" 1
609 1 128 ALA H 1 128 ALA HA 3.000 . 4.100 2.847 2.828 2.894 . 0 0 "[ . 1 . 2]" 1
610 1 128 ALA H 1 128 ALA MB 2.600 . 3.000 2.144 2.055 2.255 . 0 0 "[ . 1 . 2]" 1
611 1 128 ALA H 1 129 CYS H 3.200 . 4.000 2.986 2.838 3.063 . 0 0 "[ . 1 . 2]" 1
612 1 128 ALA H 1 131 ALA H 4.000 . 5.000 6.514 6.414 6.706 1.706 17 20 [*******-********+***] 1
613 1 128 ALA H 1 137 ASN QB 4.250 2.850 5.050 15.604 11.095 19.367 14.317 17 20 [**********-*****+***] 1
614 1 128 ALA HA 1 129 CYS H 4.000 . 5.000 3.568 3.539 3.607 . 0 0 "[ . 1 . 2]" 1
615 1 128 ALA HA 1 130 GLY H 5.000 3.300 6.700 3.908 3.776 4.026 . 0 0 "[ . 1 . 2]" 1
616 1 128 ALA MB 1 129 CYS H 3.200 . 4.000 2.048 1.810 2.281 . 0 0 "[ . 1 . 2]" 1
617 1 128 ALA MB 1 130 GLY H 4.400 . 6.000 4.235 4.132 4.360 . 0 0 "[ . 1 . 2]" 1
618 1 128 ALA MB 1 138 VAL H 4.000 . 5.000 16.403 12.380 20.963 15.963 17 20 [*****-**********+***] 1
619 1 129 CYS H 1 130 GLY H 3.200 . 4.000 3.411 3.267 3.583 . 0 0 "[ . 1 . 2]" 1
620 1 130 GLY H 1 130 GLY HA2 3.000 . 4.100 2.423 2.354 2.483 . 0 0 "[ . 1 . 2]" 1
621 1 130 GLY H 1 130 GLY HA3 2.800 . 3.800 2.943 2.919 2.953 . 0 0 "[ . 1 . 2]" 1
622 1 131 ALA H 1 131 ALA HA 2.700 . 3.600 2.893 2.884 2.901 . 0 0 "[ . 1 . 2]" 1
623 1 131 ALA H 1 132 LYS H 4.200 . 6.000 4.340 4.296 4.370 . 0 0 "[ . 1 . 2]" 1
624 1 132 LYS H 1 132 LYS QB 3.200 . 4.000 2.708 2.592 2.795 . 0 0 "[ . 1 . 2]" 1
625 1 133 ALA H 1 133 ALA HA 2.700 . 3.600 2.889 2.873 2.918 . 0 0 "[ . 1 . 2]" 1
626 1 133 ALA H 1 133 ALA MB 2.500 . 6.000 2.195 2.071 2.298 . 0 0 "[ . 1 . 2]" 1
627 1 135 LEU H 1 135 LEU QB 3.200 . 4.000 3.015 2.451 3.428 . 0 0 "[ . 1 . 2]" 1
628 1 135 LEU H 1 135 LEU HB3 2.900 . 4.000 3.428 2.740 3.919 . 0 0 "[ . 1 . 2]" 1
629 1 135 LEU H 1 136 LYS HB2 2.700 . 6.000 5.253 3.968 6.894 0.894 16 1 "[ . 1 .+ 2]" 1
630 1 136 LYS H 1 136 LYS HB2 3.100 . 4.300 2.823 2.077 3.673 . 0 0 "[ . 1 . 2]" 1
631 1 136 LYS H 1 136 LYS QB 3.200 . 4.000 2.630 2.052 3.096 . 0 0 "[ . 1 . 2]" 1
632 1 136 LYS H 1 136 LYS QG 3.200 . 3.900 3.687 2.258 4.343 0.443 14 0 "[ . 1 . 2]" 1
633 1 136 LYS HA 1 137 ASN H 3.000 . 4.100 2.718 2.147 3.573 . 0 0 "[ . 1 . 2]" 1
634 1 137 ASN H 1 137 ASN HA 2.700 . 3.600 2.794 2.269 2.946 . 0 0 "[ . 1 . 2]" 1
635 1 137 ASN H 1 137 ASN HB2 3.500 . 5.100 3.119 2.109 3.779 . 0 0 "[ . 1 . 2]" 1
636 1 137 ASN H 1 137 ASN HB3 3.900 . 5.800 3.313 2.443 4.049 . 0 0 "[ . 1 . 2]" 1
637 1 137 ASN HA 1 138 VAL H 3.300 2.500 3.700 2.321 2.151 2.645 0.349 9 0 "[ . 1 . 2]" 1
638 1 137 ASN QB 1 138 VAL H 4.000 . 5.000 3.110 2.237 3.904 . 0 0 "[ . 1 . 2]" 1
639 1 137 ASN HB2 1 138 VAL H 4.100 . 6.000 3.694 2.338 4.653 . 0 0 "[ . 1 . 2]" 1
640 1 137 ASN HB3 1 138 VAL H 3.300 . 4.600 3.689 2.255 4.404 . 0 0 "[ . 1 . 2]" 1
641 1 138 VAL H 1 138 VAL HB 3.200 . 4.000 3.008 2.574 3.723 . 0 0 "[ . 1 . 2]" 1
642 1 138 VAL H 1 138 VAL QG 2.600 . 3.000 2.226 1.790 3.093 0.093 8 0 "[ . 1 . 2]" 1
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