NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438064 |
2k45   |
15785 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k45
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 1222
_Distance_constraint_stats_list.Viol_count 2921
_Distance_constraint_stats_list.Viol_total 16633.426
_Distance_constraint_stats_list.Viol_max 4.915
_Distance_constraint_stats_list.Viol_rms 0.1957
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0340
_Distance_constraint_stats_list.Viol_average_violations_only 0.2847
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.266 0.241 4 0 "[ . 1 . 2]"
1 2 LYS 12.006 1.740 20 11 "[ ** .** 1 **-** *+]"
1 3 LEU 40.407 2.402 3 19 [**+********-*******2]
1 4 GLY 0.034 0.034 19 0 "[ . 1 . 2]"
1 5 LYS 34.221 1.646 1 19 "[+***************** -]"
1 6 LEU 71.644 2.671 11 20 [**-*******+*********]
1 7 GLN 7.526 0.663 1 2 "[+ - . 1 . 2]"
1 8 TYR 9.858 1.501 20 7 "[*** .* 1* . -+]"
1 9 SER 6.909 1.358 13 3 "[ - *1 + . 2]"
1 10 LEU 44.466 2.391 18 18 "[*********** **** +*-]"
1 11 ASP 5.243 1.456 5 4 "[* * + - 1 . 2]"
1 12 TYR 13.435 1.943 5 4 "[* * + * 1 . 2]"
1 13 ASP 5.909 1.056 7 3 "[ - * + 1 . 2]"
1 14 PHE 1.797 0.114 17 0 "[ . 1 . 2]"
1 15 GLN 18.645 1.884 3 12 "[**+ *** ** -. ***]"
1 16 ASN 5.433 1.884 3 2 "[- + . 1 . 2]"
1 17 ASN 29.977 3.623 5 12 "[*** +** ** -. ***]"
1 18 GLN 19.568 1.943 5 4 "[* * + - 1 . 2]"
1 19 LEU 76.101 3.644 5 18 "[**-*+****** **** ***]"
1 20 LEU 5.945 1.529 19 2 "[- . 1 . +2]"
1 21 VAL 0.875 0.167 6 0 "[ . 1 . 2]"
1 22 GLY 10.374 2.324 13 6 "[ * .* *-* + . 2]"
1 23 ILE 6.946 1.010 19 3 "[* - . 1 . +2]"
1 24 ILE 11.987 1.493 12 5 "[ - ** 1*+ . 2]"
1 25 GLN 36.279 2.192 19 20 [**********-*******+*]
1 26 ALA 23.231 1.527 20 12 "[**-** ***1 * . ** +]"
1 27 ALA 62.102 2.192 19 20 [*****************-+*]
1 28 GLU 7.667 1.087 19 5 "[* *. 1 . -*+2]"
1 29 LEU 20.817 2.000 1 12 "[+** *** 1 **-** *2]"
1 30 PRO 1.097 0.128 17 0 "[ . 1 . 2]"
1 31 ALA 1.954 0.177 16 0 "[ . 1 . 2]"
1 32 LEU 17.664 0.655 5 3 "[ * + 1 .- 2]"
1 33 ASP 1.635 0.433 10 0 "[ . 1 . 2]"
1 34 MET 7.356 0.543 16 1 "[ . 1 .+ 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 3.665 0.655 5 3 "[ * + 1 .- 2]"
1 37 THR 10.992 1.330 16 1 "[ . 1 .+ 2]"
1 38 SER 2.277 0.177 16 0 "[ . 1 . 2]"
1 39 ASP 8.858 2.129 10 2 "[- . + . 2]"
1 40 PRO 6.884 0.753 3 3 "[ + * - 1 . 2]"
1 41 TYR 10.452 1.455 10 3 "[* - + . 2]"
1 42 VAL 1.381 0.303 12 0 "[ . 1 . 2]"
1 43 LYS 4.094 0.663 17 3 "[* . 1 . +- 2]"
1 44 VAL 11.973 1.845 5 8 "[* * + 1** * *- 2]"
1 45 PHE 55.320 4.698 5 19 "[****+*********** ***]"
1 46 LEU 36.019 1.833 1 16 "[+** *** **** **** **]"
1 47 LEU 9.641 1.213 5 4 "[- * + 1 . *2]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 4.557 0.618 1 3 "[+ *. 1 - . 2]"
1 50 LYS 24.110 1.979 20 6 "[* * - 1 . * *+]"
1 51 LYS 25.862 3.792 5 9 "[* - +** ** * * 2]"
1 52 LYS 17.940 3.596 5 6 "[- * + 1 * **]"
1 53 LYS 8.883 1.845 5 7 "[ * + - 1** *. * 2]"
1 54 PHE 1.529 0.306 1 0 "[ . 1 . 2]"
1 55 GLU 3.633 2.309 18 1 "[ . 1 . + 2]"
1 56 THR 8.663 1.455 10 2 "[ - . + . 2]"
1 57 LYS 1.054 0.205 9 0 "[ . 1 . 2]"
1 58 VAL 3.226 2.309 18 1 "[ . 1 . + 2]"
1 59 HIS 7.941 2.129 10 2 "[- . + . 2]"
1 60 ARG 8.141 0.649 5 3 "[ + 1 - * 2]"
1 61 LYS 7.021 0.487 8 0 "[ . 1 . 2]"
1 62 THR 13.993 1.330 16 4 "[ * * - 1 .+ 2]"
1 63 LEU 37.144 2.199 19 16 "[****.** ** **** -*+*]"
1 64 ASN 7.748 2.000 1 3 "[+ - * 1 . 2]"
1 65 PRO 0.081 0.059 10 0 "[ . 1 . 2]"
1 66 VAL 5.032 0.779 14 3 "[ - * 1 +. 2]"
1 67 PHE 19.587 1.527 20 14 "[***** ***1*- *. ** +]"
1 68 ASN 7.554 1.124 2 6 "[*+* .* 1* . -2]"
1 69 GLU 2.180 0.603 3 1 "[ + . 1 . 2]"
1 70 GLN 4.857 1.529 19 2 "[ . - . +2]"
1 71 PHE 0.986 0.289 10 0 "[ . 1 . 2]"
1 72 THR 17.399 3.527 19 5 "[- * * 1 *. +2]"
1 73 PHE 5.868 1.960 19 2 "[ . - 1 . +2]"
1 74 LYS 12.563 3.596 5 5 "[*-* + 1 . *2]"
1 75 VAL 25.679 4.915 5 4 "[* - + 1 * 2]"
1 76 PRO 3.082 0.484 5 0 "[ . 1 . 2]"
1 77 TYR 7.025 3.644 5 3 "[* - + 1 . 2]"
1 78 SER 1.145 0.263 2 0 "[ . 1 . 2]"
1 79 GLU 3.180 0.215 5 0 "[ . 1 . 2]"
1 80 LEU 2.604 0.813 1 1 "[+ . 1 . 2]"
1 81 GLY 1.971 0.121 8 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 17.228 4.915 5 6 "[* **+ 1 - *. 2]"
1 84 THR 79.761 4.698 5 20 [-***+***************]
1 85 LEU 27.696 1.722 18 11 "[ ** * ***** . *+*2]"
1 86 VAL 12.428 0.447 1 0 "[ . 1 . 2]"
1 87 MET 27.920 1.833 1 16 "[+** *** **** -*** **]"
1 88 ALA 28.218 2.141 9 6 "[- * * +1 * . * 2]"
1 89 VAL 9.057 0.934 1 2 "[+ - 1 . 2]"
1 90 TYR 7.463 0.564 9 2 "[- . +1 . 2]"
1 91 ASP 15.484 0.815 12 4 "[- * 1 + * 2]"
1 92 PHE 0.187 0.071 17 0 "[ . 1 . 2]"
1 93 ASP 7.270 1.952 11 4 "[* - * 1+ . 2]"
1 94 ARG 0.864 0.690 5 1 "[ + 1 . 2]"
1 95 PHE 2.021 1.571 11 1 "[ . 1+ . 2]"
1 96 SER 1.532 0.486 13 0 "[ . 1 . 2]"
1 97 LYS 9.997 1.952 11 5 "[* - * *1+ . 2]"
1 98 HIS 2.495 1.571 11 1 "[ . 1+ . 2]"
1 99 ASP 2.373 0.815 12 2 "[ . 1 + - 2]"
1 100 ILE 10.784 2.141 9 6 "[* * -* +1 . * 2]"
1 101 ILE 31.068 2.199 19 17 "[****-** ** **** **+*]"
1 102 GLY 3.133 0.709 3 1 "[ + . 1 . 2]"
1 103 GLU 4.903 0.450 5 0 "[ . 1 . 2]"
1 104 PHE 19.959 1.971 13 4 "[* * * 1 + . 2]"
1 105 LYS 3.889 0.956 18 1 "[ . 1 . + 2]"
1 106 VAL 2.457 0.310 3 0 "[ . 1 . 2]"
1 107 PRO 5.932 0.599 1 1 "[+ . 1 . 2]"
1 108 MET 3.799 0.254 18 0 "[ . 1 . 2]"
1 109 ASN 11.437 1.867 14 4 "[* . 1* +. -]"
1 110 THR 3.700 0.421 5 0 "[ . 1 . 2]"
1 111 VAL 0.762 0.394 14 0 "[ . 1 . 2]"
1 112 ASP 3.323 0.421 5 0 "[ . 1 . 2]"
1 113 PHE 1.771 0.244 7 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 HIS 4.077 0.578 5 1 "[ + 1 . 2]"
1 116 VAL 2.866 1.227 3 1 "[ + . 1 . 2]"
1 117 THR 6.971 2.008 3 2 "[* + . 1 . 2]"
1 118 GLU 5.204 0.829 3 1 "[ + . 1 . 2]"
1 119 GLU 6.149 0.914 3 1 "[ + . 1 . 2]"
1 120 TRP 10.478 1.501 20 1 "[ . 1 . +]"
1 121 ARG 7.416 0.914 3 4 "[* + . 1 * . *]"
1 122 ASP 30.529 1.971 13 14 "[*** *** ** +*** **2]"
1 123 LEU 15.374 1.493 12 8 "[ **** * 1*+ . *2]"
1 124 GLN 11.332 2.402 3 3 "[ + . 1 - . * 2]"
1 125 SER 57.611 2.671 11 20 [**********+*-*******]
1 126 ALA 5.329 1.348 1 3 "[+ - *1 . 2]"
1 127 GLU 2.699 0.769 6 2 "[ - .+ 1 . 2]"
1 128 LYS 2.007 0.895 6 1 "[ .+ 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU QB 1 2 LYS H 3.200 . 4.500 2.390 1.935 3.178 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HB2 1 2 LYS H 2.900 . 3.900 2.754 2.152 4.141 0.241 4 0 "[ . 1 . 2]" 1
3 1 1 GLU QG 1 2 LYS H 4.100 . 6.000 3.329 1.974 4.327 0.026 17 0 "[ . 1 . 2]" 1
4 1 1 GLU QG 1 3 LEU H 6.000 . 6.000 4.625 2.891 5.680 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLU QG 1 103 GLU H 5.200 . 6.000 5.707 5.478 5.860 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 2 LYS HA 2.300 . 3.000 2.732 2.183 2.966 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 2 LYS QB 2.800 . 3.800 3.220 2.585 3.474 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 2 LYS QD 2.600 . 3.400 3.150 2.374 3.508 0.108 4 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 2 LYS QE 4.900 . 6.000 4.301 2.782 4.841 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 2 LYS QG 3.100 . 3.100 2.778 1.867 3.168 0.068 5 0 "[ . 1 . 2]" 1
11 1 2 LYS H 1 3 LEU QD 4.800 . 6.000 4.098 1.992 5.586 0.008 1 0 "[ . 1 . 2]" 1
12 1 2 LYS H 1 29 LEU QD 5.300 . 6.000 6.253 4.404 7.161 1.161 14 10 "[ ** .** 1 *+-** *2]" 1
13 1 2 LYS H 1 125 SER H 4.500 . 6.000 2.755 2.051 6.088 0.088 20 0 "[ . 1 . 2]" 1
14 1 2 LYS QB 1 125 SER H 3.700 . 5.400 5.059 4.309 7.140 1.740 20 1 "[ . 1 . +]" 1
15 1 2 LYS QE 1 3 LEU H 4.200 . 6.000 5.288 4.032 5.821 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS QG 1 3 LEU H 2.700 . 6.000 4.555 4.203 4.914 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU H 1 3 LEU HA . . 2.500 2.814 2.734 2.887 0.387 5 0 "[ . 1 . 2]" 1
18 1 3 LEU H 1 3 LEU QB 2.200 . 2.800 2.320 1.964 2.828 0.028 3 0 "[ . 1 . 2]" 1
19 1 3 LEU H 1 3 LEU QD 2.900 . 3.900 2.880 1.790 3.765 0.110 3 0 "[ . 1 . 2]" 1
20 1 3 LEU H 1 29 LEU HB3 3.300 . 6.000 6.073 5.435 6.265 0.265 19 0 "[ . 1 . 2]" 1
21 1 3 LEU H 1 29 LEU QD 5.200 . 6.000 4.678 4.222 5.234 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU H 1 123 LEU H 3.200 . 6.000 5.217 4.236 6.197 0.197 20 0 "[ . 1 . 2]" 1
23 1 3 LEU H 1 123 LEU QB 3.300 . 4.700 4.365 3.512 5.588 0.888 4 3 "[ +. * 1 - . 2]" 1
24 1 3 LEU H 1 125 SER HA 3.400 . 4.900 4.774 4.048 6.726 1.826 11 3 "[ -. 1+* . 2]" 1
25 1 3 LEU HA 1 125 SER H 4.400 . 6.000 4.123 2.186 6.087 0.087 1 0 "[ . 1 . 2]" 1
26 1 3 LEU QB 1 103 GLU H 4.400 . 6.000 4.344 3.208 5.790 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QB 1 124 GLN H 2.800 . 3.800 3.786 3.106 6.202 2.402 3 1 "[ + . 1 . 2]" 1
28 1 3 LEU QD 1 122 ASP H 2.900 . 6.000 6.704 5.227 7.917 1.917 18 13 "[** *-* ** **** +*2]" 1
29 1 3 LEU QD 1 125 SER H 2.800 . 3.800 3.212 2.084 4.003 0.203 17 0 "[ . 1 . 2]" 1
30 1 3 LEU QD 1 126 ALA H 2.600 . 6.000 4.052 2.534 5.846 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU HG 1 124 GLN H 3.500 . 5.100 4.985 3.715 6.653 1.553 17 2 "[ . 1 - . + 2]" 1
32 1 4 GLY HA2 1 5 LYS H 2.800 . 3.700 2.961 2.805 3.089 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLY HA2 1 27 ALA H 5.100 . 6.000 5.022 4.303 6.034 0.034 19 0 "[ . 1 . 2]" 1
34 1 4 GLY HA3 1 5 LYS H 2.300 . 3.000 2.369 2.306 2.467 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLY HA3 1 27 ALA H 4.200 . 6.000 3.728 3.196 4.668 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS H 1 5 LYS HA 2.600 . 3.500 2.917 2.870 2.964 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS H 1 5 LYS HB2 2.900 . 3.900 2.962 2.696 3.207 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS H 1 6 LEU H 4.700 . 6.000 4.377 4.325 4.465 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS H 1 6 LEU QB 3.800 . 5.600 4.906 4.579 5.125 . 0 0 "[ . 1 . 2]" 1
40 1 5 LYS H 1 26 ALA HA 3.500 . 5.100 4.128 3.731 4.688 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS H 1 27 ALA H 2.700 . 3.600 2.560 2.158 3.986 0.386 19 0 "[ . 1 . 2]" 1
42 1 5 LYS H 1 27 ALA HA 2.600 . 3.500 4.514 1.809 5.146 1.646 1 19 "[+**********-****** *]" 1
43 1 5 LYS H 1 27 ALA MB 2.400 . 3.100 2.517 1.701 3.177 0.077 16 0 "[ . 1 . 2]" 1
44 1 5 LYS H 1 28 GLU H 5.200 . 6.000 5.541 4.429 5.990 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS H 1 28 GLU QG 4.300 . 6.000 5.283 3.538 6.127 0.127 1 0 "[ . 1 . 2]" 1
46 1 5 LYS H 1 29 LEU H 4.500 . 6.000 6.166 6.046 6.275 0.275 10 0 "[ . 1 . 2]" 1
47 1 5 LYS H 1 29 LEU QD 2.700 . 4.400 3.480 2.775 4.385 . 0 0 "[ . 1 . 2]" 1
48 1 5 LYS H 1 122 ASP HA 3.300 . 4.700 4.737 4.430 4.930 0.230 6 0 "[ . 1 . 2]" 1
49 1 5 LYS H 1 123 LEU H 5.300 . 6.000 4.133 3.605 4.569 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS H 1 123 LEU HB2 2.100 . 6.000 4.292 3.174 5.395 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS H 1 123 LEU QD 3.400 . 4.800 4.133 2.877 4.880 0.080 3 0 "[ . 1 . 2]" 1
52 1 5 LYS HA 1 6 LEU H 2.100 . 2.700 2.352 2.264 2.623 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS HA 1 122 ASP H 4.400 . 6.000 4.708 4.087 4.957 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS HA 1 123 LEU H 2.200 . 2.800 1.831 1.495 2.621 0.105 7 0 "[ . 1 . 2]" 1
55 1 5 LYS HB2 1 6 LEU H 3.000 . 4.100 3.475 2.907 3.882 . 0 0 "[ . 1 . 2]" 1
56 1 5 LYS HB2 1 121 ARG H 3.700 . 5.400 5.557 5.435 6.074 0.674 1 2 "[+ . 1 . -]" 1
57 1 5 LYS HB2 1 123 LEU H 3.500 . 5.000 4.771 4.429 5.335 0.335 11 0 "[ . 1 . 2]" 1
58 1 5 LYS HB3 1 7 GLN H 6.000 . 6.000 4.565 3.994 5.160 . 0 0 "[ . 1 . 2]" 1
59 1 5 LYS HB3 1 6 LEU H 2.700 . 3.600 2.438 2.205 2.589 . 0 0 "[ . 1 . 2]" 1
60 1 5 LYS HB3 1 122 ASP H 3.700 . 5.400 4.761 4.263 5.380 . 0 0 "[ . 1 . 2]" 1
61 1 5 LYS HB3 1 123 LEU H 4.600 . 6.000 4.033 3.402 5.238 . 0 0 "[ . 1 . 2]" 1
62 1 5 LYS HD2 1 6 LEU H 4.000 . 6.000 5.805 4.035 6.208 0.208 7 0 "[ . 1 . 2]" 1
63 1 5 LYS QE 1 121 ARG H 3.700 . 5.400 4.346 3.696 5.051 . 0 0 "[ . 1 . 2]" 1
64 1 5 LYS HG2 1 123 LEU H 3.100 . 4.300 3.634 3.139 4.665 0.365 5 0 "[ . 1 . 2]" 1
65 1 5 LYS HG3 1 123 LEU H 3.500 . 5.000 4.550 4.096 5.615 0.615 5 1 "[ + 1 . 2]" 1
66 1 6 LEU H 1 6 LEU QB 2.600 . 3.500 2.514 2.319 2.904 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU H 1 6 LEU QD 3.100 . 4.300 2.964 2.343 3.929 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU H 1 6 LEU HG 3.600 . 5.200 3.925 3.534 4.636 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 7 GLN H 4.700 . 5.400 3.953 3.772 4.089 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU H 1 7 GLN HA 3.100 . 4.300 4.303 4.042 4.369 0.069 17 0 "[ . 1 . 2]" 1
71 1 6 LEU H 1 25 GLN QE 4.900 . 6.000 5.197 4.342 5.872 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU H 1 120 TRP QB 4.700 . 6.000 5.185 4.585 6.151 0.151 20 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 121 ARG HG2 4.200 . 6.000 5.859 3.249 6.570 0.570 3 1 "[ + . 1 . 2]" 1
74 1 6 LEU H 1 122 ASP H 3.200 . 4.500 4.435 3.230 4.590 0.090 11 0 "[ . 1 . 2]" 1
75 1 6 LEU H 1 123 LEU H 3.900 . 5.800 3.373 2.761 4.147 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HA 1 7 GLN H 2.400 . 3.100 2.148 2.042 2.316 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HA 1 27 ALA H 2.900 . 3.900 4.016 3.674 5.082 1.182 19 1 "[ . 1 . +2]" 1
78 1 6 LEU QB 1 7 GLN H 3.100 . 4.300 3.767 3.493 3.993 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU QB 1 8 TYR H 5.100 . 6.000 5.609 4.824 6.355 0.355 1 0 "[ . 1 . 2]" 1
80 1 6 LEU QB 1 24 ILE H 3.400 . 6.000 5.234 4.681 5.935 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QB 1 25 GLN H 2.800 . 6.000 4.538 3.983 5.287 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU QB 1 27 ALA H 4.400 . 6.000 4.320 3.705 5.247 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU QB 1 122 ASP H 5.800 . 6.000 5.585 3.775 5.973 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU QD 1 7 GLN H 3.200 . 4.400 4.057 3.336 4.223 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU QD 1 8 TYR H 4.500 . 6.000 4.263 2.858 4.867 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU QD 1 9 SER H 4.200 . 6.000 5.892 5.275 6.611 0.611 5 1 "[ + 1 . 2]" 1
87 1 6 LEU QD 1 24 ILE H 3.200 . 4.500 3.956 3.106 4.641 0.141 6 0 "[ . 1 . 2]" 1
88 1 6 LEU QD 1 25 GLN H 3.200 . 4.400 4.122 2.926 4.476 0.076 19 0 "[ . 1 . 2]" 1
89 1 6 LEU QD 1 26 ALA H 3.800 . 5.600 4.299 3.403 4.788 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU QD 1 68 ASN H 5.600 . 6.000 5.865 5.321 6.233 0.233 8 0 "[ . 1 . 2]" 1
91 1 6 LEU QD 1 87 MET H 4.100 . 6.000 5.825 5.142 6.125 0.125 7 0 "[ . 1 . 2]" 1
92 1 6 LEU QD 1 88 ALA H 3.700 . 5.400 5.652 5.504 5.793 0.393 8 0 "[ . 1 . 2]" 1
93 1 6 LEU QD 1 103 GLU H 5.100 . 6.000 6.114 5.730 6.377 0.377 17 0 "[ . 1 . 2]" 1
94 1 6 LEU QD 1 104 PHE H 3.800 . 5.600 5.159 4.281 5.977 0.377 9 0 "[ . 1 . 2]" 1
95 1 6 LEU QD 1 122 ASP H 3.200 . 4.500 4.299 3.853 4.952 0.452 8 0 "[ . 1 . 2]" 1
96 1 6 LEU QD 1 123 LEU H 3.500 . 5.000 4.217 3.580 5.040 0.040 20 0 "[ . 1 . 2]" 1
97 1 6 LEU QD 1 124 GLN H 2.400 . 6.000 5.458 4.955 5.916 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU QD 1 125 SER H 4.700 . 6.000 8.418 8.047 8.671 2.671 11 20 [**********+*-*******] 1
99 1 6 LEU HG 1 7 GLN H 3.100 . 4.300 3.844 3.593 4.040 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU HG 1 8 TYR H 3.400 . 4.800 4.128 3.452 5.123 0.323 8 0 "[ . 1 . 2]" 1
101 1 6 LEU HG 1 24 ILE H 4.900 . 6.000 4.457 3.834 5.802 . 0 0 "[ . 1 . 2]" 1
102 1 6 LEU HG 1 25 GLN H 3.500 . 5.000 4.764 3.821 5.169 0.169 19 0 "[ . 1 . 2]" 1
103 1 6 LEU HG 1 26 ALA H 5.300 . 6.000 6.104 4.698 6.448 0.448 3 0 "[ . 1 . 2]" 1
104 1 7 GLN H 1 7 GLN HA 2.300 . 2.900 2.919 2.865 2.960 0.060 20 0 "[ . 1 . 2]" 1
105 1 7 GLN H 1 7 GLN QB 2.900 . 3.900 2.761 2.299 3.010 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLN H 1 8 TYR H 3.400 . 4.800 4.332 4.177 4.583 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLN H 1 24 ILE H 4.500 . 6.000 4.231 3.632 5.224 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLN H 1 25 GLN H 3.100 . 4.300 3.102 2.821 3.554 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLN H 1 25 GLN HG2 4.000 . 6.000 5.499 5.013 6.105 0.105 13 0 "[ . 1 . 2]" 1
110 1 7 GLN H 1 26 ALA HA 3.600 . 5.200 4.041 3.626 4.370 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLN H 1 26 ALA MB 3.800 . 5.600 5.005 2.258 5.471 . 0 0 "[ . 1 . 2]" 1
112 1 7 GLN H 1 27 ALA H 3.000 . 6.000 5.604 5.263 6.297 0.297 19 0 "[ . 1 . 2]" 1
113 1 7 GLN H 1 120 TRP HZ3 3.900 . 5.800 5.914 5.829 6.133 0.333 20 0 "[ . 1 . 2]" 1
114 1 7 GLN H 1 121 ARG QB 4.700 . 6.000 5.486 2.731 5.835 . 0 0 "[ . 1 . 2]" 1
115 1 7 GLN HA 1 8 TYR H 4.200 . 6.000 2.232 2.105 2.331 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLN HA 1 121 ARG H 2.200 . 2.800 2.368 2.006 3.294 0.494 20 0 "[ . 1 . 2]" 1
117 1 7 GLN QB 1 7 GLN QE 3.300 . 4.700 2.364 1.757 3.313 0.243 5 0 "[ . 1 . 2]" 1
118 1 7 GLN QB 1 8 TYR H 3.300 . 4.700 3.476 2.996 3.736 . 0 0 "[ . 1 . 2]" 1
119 1 7 GLN QB 1 120 TRP H 4.500 . 6.000 4.798 4.324 5.967 . 0 0 "[ . 1 . 2]" 1
120 1 7 GLN QB 1 121 ARG H 3.700 . 5.200 3.904 3.270 4.860 . 0 0 "[ . 1 . 2]" 1
121 1 7 GLN QE 1 8 TYR H 4.400 . 6.000 5.043 4.613 5.725 . 0 0 "[ . 1 . 2]" 1
122 1 7 GLN QE 1 23 ILE HB 4.000 . 6.000 5.630 4.338 6.663 0.663 1 2 "[+ - . 1 . 2]" 1
123 1 7 GLN QE 1 64 ASN HD21 3.600 . 6.000 5.778 5.556 5.933 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLN QE 1 121 ARG H 3.400 . 6.000 5.271 4.083 5.736 . 0 0 "[ . 1 . 2]" 1
125 1 7 GLN HG3 1 25 GLN H 4.800 . 6.000 5.333 3.627 6.263 0.263 20 0 "[ . 1 . 2]" 1
126 1 8 TYR H 1 8 TYR QB 4.500 . 6.000 3.073 2.698 3.272 . 0 0 "[ . 1 . 2]" 1
127 1 8 TYR H 1 9 SER H 5.800 . 6.000 4.304 4.088 4.479 . 0 0 "[ . 1 . 2]" 1
128 1 8 TYR H 1 25 GLN H 4.000 . 6.000 5.643 5.407 5.960 . 0 0 "[ . 1 . 2]" 1
129 1 8 TYR H 1 119 GLU H 2.900 . 3.800 3.782 3.369 3.949 0.149 5 0 "[ . 1 . 2]" 1
130 1 8 TYR H 1 120 TRP HA 3.300 . 4.600 3.524 2.944 6.101 1.501 20 1 "[ . 1 . +]" 1
131 1 8 TYR H 1 120 TRP HZ3 3.100 . 4.300 4.061 3.481 4.333 0.033 9 0 "[ . 1 . 2]" 1
132 1 8 TYR H 1 121 ARG H 3.800 . 5.600 3.407 2.852 4.762 . 0 0 "[ . 1 . 2]" 1
133 1 8 TYR H 1 121 ARG QB 5.000 . 5.000 3.878 3.163 4.209 . 0 0 "[ . 1 . 2]" 1
134 1 8 TYR HA 1 9 SER H 2.500 . 3.300 2.802 2.314 3.146 . 0 0 "[ . 1 . 2]" 1
135 1 8 TYR HA 1 24 ILE H 3.200 . 4.500 3.769 2.317 4.404 . 0 0 "[ . 1 . 2]" 1
136 1 8 TYR QB 1 9 SER H 2.600 . 3.400 1.902 1.667 2.303 0.133 20 0 "[ . 1 . 2]" 1
137 1 8 TYR QB 1 24 ILE H 2.700 . 3.600 2.424 1.780 3.630 0.030 6 0 "[ . 1 . 2]" 1
138 1 8 TYR QB 1 68 ASN H 3.300 . 6.000 6.111 5.411 7.124 1.124 2 6 "[*+* .* 1* . -2]" 1
139 1 8 TYR QB 1 119 GLU H 2.600 . 6.000 5.191 4.872 5.526 . 0 0 "[ . 1 . 2]" 1
140 1 9 SER H 1 9 SER QB 3.400 . 4.700 3.106 2.667 3.312 . 0 0 "[ . 1 . 2]" 1
141 1 9 SER H 1 10 LEU H 3.700 . 5.400 4.006 3.405 4.191 . 0 0 "[ . 1 . 2]" 1
142 1 9 SER H 1 10 LEU QD 3.600 . 5.300 2.740 2.250 3.365 . 0 0 "[ . 1 . 2]" 1
143 1 9 SER H 1 22 GLY QA 3.500 . 5.000 4.565 3.915 6.358 1.358 13 2 "[ . -1 + . 2]" 1
144 1 9 SER H 1 23 ILE H 3.700 . 5.400 4.595 2.740 5.653 0.253 5 0 "[ . 1 . 2]" 1
145 1 9 SER H 1 23 ILE HA 4.900 . 6.000 2.994 1.994 5.487 . 0 0 "[ . 1 . 2]" 1
146 1 9 SER H 1 24 ILE H 5.500 . 6.000 4.868 4.227 5.319 . 0 0 "[ . 1 . 2]" 1
147 1 9 SER H 1 24 ILE QG 4.600 . 6.000 4.631 3.008 7.157 1.157 5 1 "[ + 1 . 2]" 1
148 1 9 SER H 1 119 GLU H 5.800 . 6.000 5.067 4.737 5.484 . 0 0 "[ . 1 . 2]" 1
149 1 9 SER H 1 120 TRP HZ3 3.900 . 5.800 5.528 4.916 5.906 0.106 20 0 "[ . 1 . 2]" 1
150 1 9 SER HA 1 10 LEU H 2.200 . 2.800 2.064 1.981 2.166 . 0 0 "[ . 1 . 2]" 1
151 1 9 SER HA 1 117 THR H 3.500 . 5.000 4.778 3.634 5.076 0.076 5 0 "[ . 1 . 2]" 1
152 1 9 SER HA 1 118 GLU H 3.300 . 4.600 4.357 3.286 4.683 0.083 10 0 "[ . 1 . 2]" 1
153 1 9 SER HA 1 119 GLU H 3.700 . 5.400 3.357 2.897 4.265 . 0 0 "[ . 1 . 2]" 1
154 1 9 SER QB 1 10 LEU H 3.200 . 4.500 3.295 2.950 3.770 . 0 0 "[ . 1 . 2]" 1
155 1 9 SER QB 1 117 THR H 2.200 . 6.000 4.939 3.434 5.610 . 0 0 "[ . 1 . 2]" 1
156 1 9 SER QB 1 118 GLU H 5.300 . 6.000 4.482 2.592 5.144 . 0 0 "[ . 1 . 2]" 1
157 1 9 SER QB 1 119 GLU H 3.500 . 5.000 4.247 3.600 4.908 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU H 1 10 LEU HA 2.800 . 3.800 2.919 2.907 2.931 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU H 1 10 LEU HB2 2.900 . 4.000 2.903 2.547 3.436 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU H 1 10 LEU HB3 3.000 . 4.100 3.662 3.317 3.782 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU H 1 10 LEU QD 2.700 . 3.600 2.281 1.814 2.921 0.086 1 0 "[ . 1 . 2]" 1
162 1 10 LEU H 1 11 ASP HA 3.600 . 5.200 4.949 4.754 5.187 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU H 1 22 GLY QA 3.200 . 6.000 6.248 5.726 8.324 2.324 13 5 "[ - .* *1* + . 2]" 1
164 1 10 LEU H 1 116 VAL HA 6.000 . 6.000 4.678 3.688 5.680 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU H 1 117 THR H 3.300 . 3.800 3.289 2.683 4.190 0.390 5 0 "[ . 1 . 2]" 1
166 1 10 LEU H 1 117 THR HA 4.200 . 6.000 4.464 2.054 5.163 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU H 1 117 THR HB 3.000 . 4.100 3.308 2.544 4.113 0.013 3 0 "[ . 1 . 2]" 1
168 1 10 LEU H 1 118 GLU QB 5.000 . 6.000 4.722 3.593 5.583 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU H 1 118 GLU QB 4.900 . 6.000 3.849 3.315 4.559 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU H 1 119 GLU H 6.000 . 6.000 4.722 4.245 5.772 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU HA 1 11 ASP H 2.200 . 2.800 2.219 1.977 2.392 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU HB2 1 11 ASP H 3.400 . 4.800 3.692 3.120 3.978 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU HB3 1 11 ASP H 3.100 . 4.300 3.257 2.992 3.784 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU HB3 1 21 VAL H 4.200 . 6.000 4.367 2.347 5.563 . 0 0 "[ . 1 . 2]" 1
175 1 10 LEU QD 1 11 ASP H 3.600 . 4.700 4.028 3.816 4.336 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU QD 1 19 LEU H 2.700 . 6.000 7.566 6.303 8.391 2.391 18 18 "[*****-***** **** +**]" 1
177 1 10 LEU QD 1 21 VAL H 2.200 . 6.000 4.002 3.644 4.196 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU QD 1 23 ILE H 3.800 . 4.500 3.770 2.936 4.126 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU QD 1 24 ILE H 4.600 . 6.000 5.237 4.511 5.852 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU QD 1 119 GLU H 2.600 . 6.000 3.933 3.057 4.784 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU QD 1 121 ARG H 3.700 . 6.000 5.494 4.838 6.601 0.601 20 1 "[ . 1 . +]" 1
182 1 10 LEU HG 1 117 THR H 3.500 . 5.000 5.052 4.124 7.008 2.008 3 2 "[- + . 1 . 2]" 1
183 1 11 ASP H 1 11 ASP HA 2.800 . 3.800 2.950 2.868 2.988 . 0 0 "[ . 1 . 2]" 1
184 1 11 ASP H 1 11 ASP QB 3.000 . 4.000 2.708 2.455 3.140 . 0 0 "[ . 1 . 2]" 1
185 1 11 ASP H 1 12 TYR H 3.800 . 5.600 4.430 4.267 4.491 . 0 0 "[ . 1 . 2]" 1
186 1 11 ASP H 1 12 TYR HA 4.400 . 6.000 4.738 4.246 4.965 . 0 0 "[ . 1 . 2]" 1
187 1 11 ASP H 1 18 GLN QE 5.400 . 6.000 5.836 4.568 7.456 1.456 5 3 "[* + - 1 . 2]" 1
188 1 11 ASP H 1 19 LEU QD 4.200 . 6.000 4.975 3.728 5.491 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASP H 1 20 LEU H 2.700 . 3.600 3.190 2.803 3.918 0.318 5 0 "[ . 1 . 2]" 1
190 1 11 ASP H 1 20 LEU QB 3.400 . 3.800 2.637 1.894 3.873 0.106 19 0 "[ . 1 . 2]" 1
191 1 11 ASP H 1 20 LEU QD 3.900 . 5.800 3.729 2.920 4.747 . 0 0 "[ . 1 . 2]" 1
192 1 11 ASP H 1 20 LEU HG 4.000 . 6.000 4.845 3.131 6.030 0.030 13 0 "[ . 1 . 2]" 1
193 1 11 ASP H 1 116 VAL HA 5.900 . 6.000 4.799 2.623 7.227 1.227 3 1 "[ + . 1 . 2]" 1
194 1 11 ASP H 1 117 THR H 4.600 . 6.000 4.711 2.910 6.038 0.038 3 0 "[ . 1 . 2]" 1
195 1 11 ASP H 1 117 THR HB 6.000 . 6.000 5.574 4.427 6.012 0.012 13 0 "[ . 1 . 2]" 1
196 1 11 ASP HA 1 12 TYR H 2.400 . 3.100 2.559 2.394 2.845 . 0 0 "[ . 1 . 2]" 1
197 1 11 ASP HA 1 20 LEU H 5.000 . 6.000 4.576 3.420 6.004 0.004 7 0 "[ . 1 . 2]" 1
198 1 11 ASP HA 1 117 THR H 4.400 . 6.000 3.325 2.771 4.662 . 0 0 "[ . 1 . 2]" 1
199 1 11 ASP QB 1 12 TYR H 3.700 . 4.300 2.920 2.136 3.357 . 0 0 "[ . 1 . 2]" 1
200 1 11 ASP QB 1 13 ASP H 4.600 . 6.000 5.161 4.660 6.027 0.027 5 0 "[ . 1 . 2]" 1
201 1 11 ASP QB 1 20 LEU H 4.600 . 6.000 4.510 3.712 5.716 . 0 0 "[ . 1 . 2]" 1
202 1 11 ASP QB 1 117 THR H 3.900 . 5.800 4.244 2.290 5.022 . 0 0 "[ . 1 . 2]" 1
203 1 12 TYR H 1 12 TYR HA 3.000 . 4.100 2.953 2.790 2.993 . 0 0 "[ . 1 . 2]" 1
204 1 12 TYR H 1 12 TYR HB2 3.700 . 5.300 3.649 2.945 3.936 . 0 0 "[ . 1 . 2]" 1
205 1 12 TYR H 1 12 TYR HB3 2.900 . 4.000 2.884 2.476 3.494 . 0 0 "[ . 1 . 2]" 1
206 1 12 TYR H 1 12 TYR QD 4.800 . 6.000 2.947 1.961 4.352 0.039 1 0 "[ . 1 . 2]" 1
207 1 12 TYR H 1 13 ASP H 4.100 . 6.000 4.201 4.024 4.393 . 0 0 "[ . 1 . 2]" 1
208 1 12 TYR H 1 20 LEU H 2.300 . 6.000 4.628 3.214 6.087 0.087 7 0 "[ . 1 . 2]" 1
209 1 12 TYR H 1 20 LEU QB 4.200 . 6.000 4.471 3.881 5.977 . 0 0 "[ . 1 . 2]" 1
210 1 12 TYR H 1 115 HIS H 4.300 . 6.000 5.975 2.926 6.578 0.578 5 1 "[ + 1 . 2]" 1
211 1 12 TYR HA 1 13 ASP H 2.300 . 3.000 2.108 2.020 2.509 . 0 0 "[ . 1 . 2]" 1
212 1 12 TYR HA 1 18 GLN H 3.100 . 4.300 4.786 4.418 6.243 1.943 5 4 "[* - + * 1 . 2]" 1
213 1 12 TYR HB2 1 13 ASP H 3.200 . 4.500 3.712 3.309 4.414 . 0 0 "[ . 1 . 2]" 1
214 1 12 TYR HB3 1 13 ASP H 3.700 . 5.400 4.295 2.588 4.533 . 0 0 "[ . 1 . 2]" 1
215 1 12 TYR QD 1 13 ASP H 3.500 . 5.100 3.863 2.524 4.684 . 0 0 "[ . 1 . 2]" 1
216 1 12 TYR QD 1 14 PHE H 4.300 . 6.000 4.427 3.422 5.984 . 0 0 "[ . 1 . 2]" 1
217 1 12 TYR QD 1 18 GLN H 4.000 . 6.000 4.299 2.834 6.056 0.056 7 0 "[ . 1 . 2]" 1
218 1 13 ASP H 1 13 ASP HB2 2.800 . 3.800 2.805 2.652 2.937 . 0 0 "[ . 1 . 2]" 1
219 1 13 ASP H 1 13 ASP HB3 2.700 . 3.600 2.592 2.442 2.730 . 0 0 "[ . 1 . 2]" 1
220 1 13 ASP H 1 14 PHE H 4.000 . 6.000 4.399 4.186 4.553 . 0 0 "[ . 1 . 2]" 1
221 1 13 ASP H 1 16 ASN H 5.100 . 6.000 5.387 4.697 5.713 . 0 0 "[ . 1 . 2]" 1
222 1 13 ASP H 1 17 ASN H 4.700 . 6.000 5.457 5.205 5.846 . 0 0 "[ . 1 . 2]" 1
223 1 13 ASP H 1 18 GLN H 3.000 . 4.100 3.633 3.252 4.279 0.179 5 0 "[ . 1 . 2]" 1
224 1 13 ASP H 1 18 GLN QB 3.400 . 4.900 4.839 4.455 5.956 1.056 7 2 "[ - + 1 . 2]" 1
225 1 13 ASP H 1 18 GLN QG 3.800 . 5.600 3.721 2.509 5.158 . 0 0 "[ . 1 . 2]" 1
226 1 13 ASP H 1 19 LEU HG 5.000 . 6.000 6.029 5.539 6.634 0.634 3 1 "[ + . 1 . 2]" 1
227 1 13 ASP H 1 20 LEU H 4.900 . 6.000 4.400 3.186 5.130 . 0 0 "[ . 1 . 2]" 1
228 1 13 ASP H 1 20 LEU QB 3.400 . 4.900 3.618 3.069 4.498 . 0 0 "[ . 1 . 2]" 1
229 1 13 ASP H 1 20 LEU QD 3.200 . 4.500 3.825 2.027 4.529 0.029 7 0 "[ . 1 . 2]" 1
230 1 13 ASP HA 1 14 PHE H 2.300 . 2.900 2.223 2.162 2.280 . 0 0 "[ . 1 . 2]" 1
231 1 13 ASP HA 1 15 GLN H 3.700 . 5.400 4.074 3.804 4.373 . 0 0 "[ . 1 . 2]" 1
232 1 13 ASP HA 1 16 ASN H 4.400 . 6.000 4.805 4.535 5.077 . 0 0 "[ . 1 . 2]" 1
233 1 13 ASP HA 1 17 ASN H 1.500 . 6.000 5.442 5.239 5.724 . 0 0 "[ . 1 . 2]" 1
234 1 13 ASP HB2 1 14 PHE H 4.500 . 6.000 4.384 4.196 4.522 . 0 0 "[ . 1 . 2]" 1
235 1 13 ASP HB2 1 15 GLN QE 5.200 . 6.000 4.560 4.006 5.731 . 0 0 "[ . 1 . 2]" 1
236 1 13 ASP HB2 1 18 GLN H 4.300 . 6.000 5.223 4.766 6.358 0.358 5 0 "[ . 1 . 2]" 1
237 1 13 ASP HB3 1 14 PHE H 4.600 . 6.000 4.204 4.063 4.366 . 0 0 "[ . 1 . 2]" 1
238 1 13 ASP HB3 1 16 ASN H 3.400 . 4.900 3.627 3.337 3.935 . 0 0 "[ . 1 . 2]" 1
239 1 13 ASP HB3 1 18 GLN H 3.100 . 4.300 3.700 3.205 5.000 0.700 5 1 "[ + 1 . 2]" 1
240 1 14 PHE H 1 14 PHE HA 2.300 . 3.000 2.895 2.858 2.907 . 0 0 "[ . 1 . 2]" 1
241 1 14 PHE H 1 14 PHE HB2 3.000 . 4.100 3.550 2.509 3.707 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE H 1 15 GLN H 2.600 . 3.400 2.431 2.306 2.521 . 0 0 "[ . 1 . 2]" 1
243 1 14 PHE H 1 15 GLN HB2 5.600 . 6.000 6.005 5.882 6.041 0.041 11 0 "[ . 1 . 2]" 1
244 1 14 PHE H 1 15 GLN HB3 4.800 . 6.000 4.856 4.581 5.315 . 0 0 "[ . 1 . 2]" 1
245 1 14 PHE H 1 15 GLN QE 5.200 . 6.000 4.244 2.324 5.346 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE H 1 15 GLN QG 5.500 . 6.000 4.254 3.630 5.551 . 0 0 "[ . 1 . 2]" 1
247 1 14 PHE H 1 16 ASN H 2.900 . 4.000 4.074 3.985 4.114 0.114 17 0 "[ . 1 . 2]" 1
248 1 14 PHE H 1 17 ASN H 5.400 . 6.000 4.439 4.267 4.588 . 0 0 "[ . 1 . 2]" 1
249 1 14 PHE H 1 18 GLN H 4.700 . 6.000 5.070 4.922 5.326 . 0 0 "[ . 1 . 2]" 1
250 1 14 PHE HA 1 17 ASN H 2.800 . 3.800 2.937 2.687 3.095 . 0 0 "[ . 1 . 2]" 1
251 1 14 PHE HA 1 18 GLN H 4.100 . 6.000 3.373 2.836 3.669 . 0 0 "[ . 1 . 2]" 1
252 1 14 PHE HB2 1 15 GLN H 4.000 . 6.000 4.081 3.955 4.241 . 0 0 "[ . 1 . 2]" 1
253 1 15 GLN H 1 15 GLN HA 2.400 . 3.100 2.901 2.891 2.911 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLN H 1 15 GLN HB2 2.600 . 3.500 3.633 3.579 3.673 0.173 11 0 "[ . 1 . 2]" 1
255 1 15 GLN H 1 15 GLN HB3 2.400 . 3.100 2.776 2.435 3.162 0.062 17 0 "[ . 1 . 2]" 1
256 1 15 GLN H 1 15 GLN QE 6.000 . 6.000 2.816 1.791 3.502 . 0 0 "[ . 1 . 2]" 1
257 1 15 GLN H 1 15 GLN QG 2.500 . 3.300 2.384 1.887 3.439 0.139 15 0 "[ . 1 . 2]" 1
258 1 15 GLN H 1 16 ASN H 2.200 . 2.800 2.636 2.401 2.739 . 0 0 "[ . 1 . 2]" 1
259 1 15 GLN H 1 16 ASN HD22 4.700 . 6.000 5.686 5.365 6.023 0.023 5 0 "[ . 1 . 2]" 1
260 1 15 GLN H 1 17 ASN H 3.100 . 4.300 3.461 3.356 3.569 . 0 0 "[ . 1 . 2]" 1
261 1 15 GLN H 1 17 ASN HA 3.500 . 5.000 4.886 4.749 5.029 0.029 2 0 "[ . 1 . 2]" 1
262 1 15 GLN H 1 17 ASN QB 3.600 . 5.200 5.774 5.407 6.216 1.016 2 12 "[*+* *** ** -. ***]" 1
263 1 15 GLN H 1 18 GLN H 4.400 . 6.000 5.348 5.214 5.492 . 0 0 "[ . 1 . 2]" 1
264 1 15 GLN HA 1 15 GLN QE 4.100 . 6.000 4.120 3.639 4.947 . 0 0 "[ . 1 . 2]" 1
265 1 15 GLN HA 1 16 ASN H 2.900 . 3.900 3.436 3.380 3.489 . 0 0 "[ . 1 . 2]" 1
266 1 15 GLN QE 1 15 GLN HG2 3.100 . 4.300 2.859 2.126 3.269 . 0 0 "[ . 1 . 2]" 1
267 1 15 GLN QE 1 15 GLN QG 3.000 . 4.100 2.172 2.098 2.758 . 0 0 "[ . 1 . 2]" 1
268 1 15 GLN QE 1 16 ASN H 3.900 . 5.800 2.466 2.206 3.766 . 0 0 "[ . 1 . 2]" 1
269 1 15 GLN QE 1 16 ASN HA . . 3.800 3.824 3.533 5.684 1.884 3 2 "[- + . 1 . 2]" 1
270 1 15 GLN QE 1 17 ASN H 5.200 . 6.000 4.171 3.924 5.326 . 0 0 "[ . 1 . 2]" 1
271 1 15 GLN QG 1 16 ASN H 2.900 . 4.000 3.516 3.291 4.014 0.014 17 0 "[ . 1 . 2]" 1
272 1 15 GLN QG 1 16 ASN HD22 3.200 . 6.000 5.757 5.339 6.054 0.054 17 0 "[ . 1 . 2]" 1
273 1 15 GLN QG 1 17 ASN H 3.900 . 5.800 4.832 4.633 5.088 . 0 0 "[ . 1 . 2]" 1
274 1 16 ASN H 1 16 ASN HA 2.700 . 3.600 2.923 2.907 2.946 . 0 0 "[ . 1 . 2]" 1
275 1 16 ASN H 1 16 ASN HB3 2.500 . 3.300 3.083 2.909 3.183 . 0 0 "[ . 1 . 2]" 1
276 1 16 ASN H 1 16 ASN HD21 2.900 . 4.000 3.985 3.747 4.037 0.037 14 0 "[ . 1 . 2]" 1
277 1 16 ASN H 1 16 ASN HD22 3.800 . 5.600 3.922 3.771 4.178 . 0 0 "[ . 1 . 2]" 1
278 1 16 ASN H 1 17 ASN H 2.100 . 2.600 1.936 1.854 2.009 . 0 0 "[ . 1 . 2]" 1
279 1 16 ASN H 1 18 GLN H 3.300 . 4.700 3.834 3.615 3.977 . 0 0 "[ . 1 . 2]" 1
280 1 16 ASN HA 1 16 ASN HD22 4.700 . 6.000 5.303 5.238 5.355 . 0 0 "[ . 1 . 2]" 1
281 1 16 ASN HA 1 17 ASN H 3.100 . 4.300 3.214 3.167 3.245 . 0 0 "[ . 1 . 2]" 1
282 1 16 ASN HB2 1 16 ASN HD22 3.700 . 5.400 3.761 3.733 3.827 . 0 0 "[ . 1 . 2]" 1
283 1 16 ASN HB3 1 17 ASN H 3.300 . 4.700 4.296 4.187 4.392 . 0 0 "[ . 1 . 2]" 1
284 1 16 ASN HD21 1 17 ASN H 5.200 . 6.000 5.402 5.221 5.523 . 0 0 "[ . 1 . 2]" 1
285 1 16 ASN HD22 1 17 ASN H 4.700 . 6.000 5.187 5.040 5.371 . 0 0 "[ . 1 . 2]" 1
286 1 16 ASN HD22 1 18 GLN H 3.700 . 5.400 4.859 4.397 5.119 . 0 0 "[ . 1 . 2]" 1
287 1 16 ASN HD22 1 18 GLN QE 4.900 . 6.000 4.736 3.368 5.350 . 0 0 "[ . 1 . 2]" 1
288 1 17 ASN H 1 17 ASN HA 2.000 . 2.500 2.193 2.167 2.220 . 0 0 "[ . 1 . 2]" 1
289 1 17 ASN H 1 17 ASN QB 3.200 . 4.500 3.020 2.873 3.348 . 0 0 "[ . 1 . 2]" 1
290 1 17 ASN H 1 18 GLN H 2.400 . 3.100 2.835 2.559 2.970 . 0 0 "[ . 1 . 2]" 1
291 1 17 ASN H 1 18 GLN QB 5.800 . 6.000 4.715 4.277 5.205 . 0 0 "[ . 1 . 2]" 1
292 1 17 ASN H 1 76 PRO QG 3.600 . 5.200 5.158 3.999 5.439 0.239 7 0 "[ . 1 . 2]" 1
293 1 17 ASN HA 1 18 GLN H 2.400 . 3.100 2.536 2.406 2.678 . 0 0 "[ . 1 . 2]" 1
294 1 17 ASN QB 1 17 ASN QD 2.700 . 3.600 2.449 2.076 2.670 . 0 0 "[ . 1 . 2]" 1
295 1 17 ASN QB 1 75 VAL H 3.400 . 6.000 5.655 4.710 5.935 . 0 0 "[ . 1 . 2]" 1
296 1 17 ASN QD 1 19 LEU HG 4.600 . 6.000 6.330 4.426 9.623 3.623 5 7 "[-** +* 1* . *2]" 1
297 1 17 ASN QD 1 76 PRO HB2 3.900 . 5.800 3.888 2.571 5.236 . 0 0 "[ . 1 . 2]" 1
298 1 17 ASN QD 1 76 PRO QG 2.500 . 3.300 3.005 2.294 3.263 . 0 0 "[ . 1 . 2]" 1
299 1 18 GLN H 1 18 GLN HA 2.700 . 3.600 2.912 2.873 2.952 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLN H 1 18 GLN QB 3.100 . 4.300 3.001 2.611 3.241 . 0 0 "[ . 1 . 2]" 1
301 1 18 GLN H 1 18 GLN QB 2.700 . 3.600 2.324 2.065 2.638 . 0 0 "[ . 1 . 2]" 1
302 1 18 GLN H 1 19 LEU H 4.500 . 6.000 3.259 2.826 3.508 . 0 0 "[ . 1 . 2]" 1
303 1 18 GLN H 1 74 LYS H 3.800 . 5.600 4.989 2.059 5.617 0.017 14 0 "[ . 1 . 2]" 1
304 1 18 GLN H 1 18 GLN QG 3.100 . 4.300 2.682 2.105 4.123 . 0 0 "[ . 1 . 2]" 1
305 1 18 GLN H 1 19 LEU H 3.900 . 5.800 4.283 4.142 4.526 . 0 0 "[ . 1 . 2]" 1
306 1 18 GLN H 1 19 LEU QD 4.700 . 6.000 4.776 4.301 5.652 . 0 0 "[ . 1 . 2]" 1
307 1 18 GLN H 1 19 LEU HG 4.500 . 6.000 5.391 5.020 6.090 0.090 5 0 "[ . 1 . 2]" 1
308 1 18 GLN H 1 20 LEU QD 3.800 . 5.600 5.544 4.114 5.762 0.162 11 0 "[ . 1 . 2]" 1
309 1 18 GLN H 1 75 VAL H 5.000 . 6.000 5.708 4.908 6.185 0.185 19 0 "[ . 1 . 2]" 1
310 1 18 GLN H 1 76 PRO QG 3.600 . 5.200 5.188 4.496 5.348 0.148 11 0 "[ . 1 . 2]" 1
311 1 18 GLN HA 1 19 LEU H 2.200 . 2.800 2.178 2.028 2.513 . 0 0 "[ . 1 . 2]" 1
312 1 18 GLN HA 1 75 VAL H 2.400 . 3.100 2.860 2.141 3.494 0.394 5 0 "[ . 1 . 2]" 1
313 1 18 GLN QB 1 19 LEU H 2.800 . 3.800 3.002 2.668 3.526 . 0 0 "[ . 1 . 2]" 1
314 1 18 GLN QB 1 73 PHE H 3.500 . 5.000 3.963 2.906 5.003 0.003 19 0 "[ . 1 . 2]" 1
315 1 18 GLN QB 1 74 LYS H 5.200 . 6.000 4.358 2.209 5.334 . 0 0 "[ . 1 . 2]" 1
316 1 18 GLN QB 1 75 VAL H 3.300 . 4.700 3.694 3.219 4.627 . 0 0 "[ . 1 . 2]" 1
317 1 18 GLN QE 1 19 LEU H 4.100 . 6.000 3.390 2.875 3.788 . 0 0 "[ . 1 . 2]" 1
318 1 18 GLN QE 1 20 LEU H 3.400 . 4.800 3.772 3.070 4.448 . 0 0 "[ . 1 . 2]" 1
319 1 18 GLN QE 1 21 VAL H 4.300 . 6.000 4.514 3.743 5.289 . 0 0 "[ . 1 . 2]" 1
320 1 18 GLN QE 1 72 THR H 3.800 . 5.600 4.700 3.807 5.339 . 0 0 "[ . 1 . 2]" 1
321 1 18 GLN QE 1 73 PHE H 3.700 . 3.900 2.944 2.155 3.890 . 0 0 "[ . 1 . 2]" 1
322 1 18 GLN QE 1 74 LYS H 4.400 . 6.000 5.059 2.060 5.697 . 0 0 "[ . 1 . 2]" 1
323 1 19 LEU H 1 19 LEU QB 2.900 . 3.900 2.411 2.242 2.609 . 0 0 "[ . 1 . 2]" 1
324 1 19 LEU H 1 19 LEU QD 3.400 . 4.800 3.188 2.791 3.721 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU H 1 19 LEU HG 2.500 . 3.300 2.567 1.814 4.250 0.950 5 1 "[ + 1 . 2]" 1
326 1 19 LEU H 1 52 LYS QE 4.100 . 6.000 5.243 4.317 5.959 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU H 1 72 THR HA 3.500 . 5.000 5.653 5.125 8.527 3.527 19 5 "[- * * 1 *. +2]" 1
328 1 19 LEU H 1 73 PHE HB2 4.100 . 6.000 3.928 2.128 5.795 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU H 1 74 LYS HA 3.200 . 4.500 3.867 2.444 4.884 0.384 8 0 "[ . 1 . 2]" 1
330 1 19 LEU H 1 74 LYS QE 5.700 . 6.000 5.320 3.321 5.875 . 0 0 "[ . 1 . 2]" 1
331 1 19 LEU H 1 75 VAL H 3.100 . 4.300 2.907 2.345 3.836 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU H 1 77 TYR QB 4.000 . 6.000 6.255 5.726 9.644 3.644 5 3 "[* - + 1 . 2]" 1
333 1 19 LEU H 1 80 LEU QB 4.800 . 6.000 5.854 5.141 6.813 0.813 1 1 "[+ . 1 . 2]" 1
334 1 19 LEU H 1 80 LEU QD 6.000 . 6.000 5.599 4.882 6.034 0.034 1 0 "[ . 1 . 2]" 1
335 1 19 LEU HA 1 20 LEU H 2.400 . 3.100 2.278 2.135 2.370 . 0 0 "[ . 1 . 2]" 1
336 1 19 LEU QB 1 20 LEU H 4.100 . 6.000 2.727 2.475 3.103 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU QB 1 73 PHE H 3.500 . 5.000 3.983 2.797 6.960 1.960 19 2 "[ . - 1 . +2]" 1
338 1 19 LEU QD 1 20 LEU H 3.600 . 5.200 3.292 1.820 3.752 0.180 5 0 "[ . 1 . 2]" 1
339 1 19 LEU QD 1 75 VAL H 2.800 . 6.000 4.149 3.211 5.039 . 0 0 "[ . 1 . 2]" 1
340 1 19 LEU QD 1 80 LEU H 3.200 . 6.000 4.580 3.388 5.979 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU QD 1 113 PHE H 2.700 . 6.000 4.139 2.326 5.070 . 0 0 "[ . 1 . 2]" 1
342 1 20 LEU H 1 20 LEU HA 3.000 . 4.100 2.948 2.901 2.975 . 0 0 "[ . 1 . 2]" 1
343 1 20 LEU H 1 20 LEU QB 2.300 . 3.000 2.443 2.262 2.549 . 0 0 "[ . 1 . 2]" 1
344 1 20 LEU H 1 20 LEU QD 3.200 . 4.400 3.720 2.739 3.909 . 0 0 "[ . 1 . 2]" 1
345 1 20 LEU H 1 70 GLN QE 6.000 . 6.000 5.100 3.961 7.529 1.529 19 1 "[ . 1 . +2]" 1
346 1 20 LEU HA 1 21 VAL H 2.200 . 2.800 2.211 2.032 2.330 . 0 0 "[ . 1 . 2]" 1
347 1 20 LEU HA 1 72 THR H 5.000 . 6.000 4.386 2.696 5.646 . 0 0 "[ . 1 . 2]" 1
348 1 20 LEU HA 1 73 PHE H 3.500 . 5.000 3.656 2.364 4.960 . 0 0 "[ . 1 . 2]" 1
349 1 20 LEU QB 1 21 VAL H 3.100 . 4.100 3.619 3.110 3.879 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU QD 1 21 VAL H 3.700 . 5.400 2.748 2.112 3.313 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU QD 1 23 ILE H 4.000 . 6.000 5.730 4.920 7.010 1.010 19 2 "[- . 1 . +2]" 1
352 1 20 LEU QD 1 73 PHE H 2.800 . 6.000 4.215 3.044 5.402 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU HG 1 21 VAL H 6.000 . 6.000 4.369 3.171 5.201 . 0 0 "[ . 1 . 2]" 1
354 1 21 VAL H 1 21 VAL HB 2.700 . 3.600 3.088 2.475 3.767 0.167 6 0 "[ . 1 . 2]" 1
355 1 21 VAL H 1 72 THR HA 3.700 . 5.500 4.011 2.505 4.948 . 0 0 "[ . 1 . 2]" 1
356 1 21 VAL H 1 72 THR HG1 3.600 . 5.200 4.883 3.018 5.283 0.083 14 0 "[ . 1 . 2]" 1
357 1 21 VAL HA 1 23 ILE H 4.700 . 6.000 5.093 4.374 6.008 0.008 17 0 "[ . 1 . 2]" 1
358 1 22 GLY QA 1 23 ILE H . . 3.100 2.298 1.987 2.578 0.013 12 0 "[ . 1 . 2]" 1
359 1 22 GLY QA 1 69 GLU H 5.700 . 6.000 4.081 3.260 4.882 . 0 0 "[ . 1 . 2]" 1
360 1 22 GLY QA 1 70 GLN H 4.100 . 6.000 3.230 1.461 4.459 0.539 10 1 "[ . + . 2]" 1
361 1 22 GLY QA 1 71 PHE H 3.200 . 4.400 3.110 2.012 4.296 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE H 1 23 ILE HA 2.800 . 3.800 2.892 2.773 2.984 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE H 1 23 ILE HB 2.800 . 3.800 3.400 2.645 3.809 0.009 19 0 "[ . 1 . 2]" 1
364 1 23 ILE H 1 23 ILE HG12 3.300 . 4.600 2.816 1.615 3.458 0.385 10 0 "[ . 1 . 2]" 1
365 1 23 ILE H 1 24 ILE H 4.900 . 6.000 4.295 3.617 4.554 . 0 0 "[ . 1 . 2]" 1
366 1 23 ILE H 1 24 ILE HB 4.500 . 6.000 5.401 5.051 5.812 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE H 1 69 GLU H 3.200 . 4.500 3.652 2.890 4.573 0.073 3 0 "[ . 1 . 2]" 1
368 1 23 ILE H 1 69 GLU QB 3.900 . 5.800 4.801 2.872 6.067 0.267 12 0 "[ . 1 . 2]" 1
369 1 23 ILE H 1 70 GLN H 5.700 . 6.000 4.739 1.780 6.022 0.022 3 0 "[ . 1 . 2]" 1
370 1 23 ILE H 1 70 GLN HA 3.100 . 4.300 3.703 2.702 4.471 0.171 19 0 "[ . 1 . 2]" 1
371 1 23 ILE H 1 70 GLN QB 4.800 . 6.000 4.788 1.665 5.712 0.335 20 0 "[ . 1 . 2]" 1
372 1 23 ILE H 1 70 GLN QE 5.500 . 6.000 5.420 4.650 5.992 . 0 0 "[ . 1 . 2]" 1
373 1 23 ILE H 1 71 PHE H 3.700 . 5.400 4.339 3.147 5.570 0.170 18 0 "[ . 1 . 2]" 1
374 1 23 ILE HA 1 24 ILE H 2.800 . 3.800 3.056 2.717 3.747 . 0 0 "[ . 1 . 2]" 1
375 1 23 ILE HB 1 69 GLU H 4.800 . 6.000 5.163 2.907 6.340 0.340 3 0 "[ . 1 . 2]" 1
376 1 24 ILE H 1 24 ILE HB 2.900 . 4.000 2.465 2.120 3.105 . 0 0 "[ . 1 . 2]" 1
377 1 24 ILE H 1 25 GLN H 2.700 . 3.600 2.428 2.150 2.799 . 0 0 "[ . 1 . 2]" 1
378 1 24 ILE H 1 123 LEU QD 2.900 . 6.000 6.407 6.094 7.493 1.493 12 4 "[ - .* 1*+ . 2]" 1
379 1 24 ILE HA 1 25 GLN H 3.500 . 5.000 3.524 3.442 3.671 . 0 0 "[ . 1 . 2]" 1
380 1 24 ILE HA 1 67 PHE H 5.700 . 6.000 4.572 3.944 6.023 0.023 11 0 "[ . 1 . 2]" 1
381 1 24 ILE HA 1 68 ASN H 3.100 . 4.300 2.676 2.242 3.377 . 0 0 "[ . 1 . 2]" 1
382 1 24 ILE HA 1 69 GLU H 4.300 . 6.000 3.868 3.020 4.809 . 0 0 "[ . 1 . 2]" 1
383 1 24 ILE HB 1 25 GLN H 2.800 . 3.800 2.040 1.599 3.202 0.201 11 0 "[ . 1 . 2]" 1
384 1 24 ILE HB 1 68 ASN H 5.300 . 6.000 4.258 2.732 4.836 . 0 0 "[ . 1 . 2]" 1
385 1 24 ILE HB 1 67 PHE H 5.500 . 6.000 5.795 4.747 7.110 1.110 11 1 "[ . 1+ . 2]" 1
386 1 25 GLN H 1 25 GLN QE 3.400 . 4.500 3.235 2.115 3.744 . 0 0 "[ . 1 . 2]" 1
387 1 25 GLN H 1 25 GLN HG2 3.400 . 4.800 4.029 3.656 4.678 . 0 0 "[ . 1 . 2]" 1
388 1 25 GLN H 1 26 ALA H 4.400 . 6.000 4.170 3.806 4.304 . 0 0 "[ . 1 . 2]" 1
389 1 25 GLN H 1 26 ALA MB 4.900 . 6.000 5.024 4.007 5.247 . 0 0 "[ . 1 . 2]" 1
390 1 25 GLN H 1 27 ALA HA 3.200 . 6.000 7.515 7.133 8.192 2.192 19 20 [******************+-] 1
391 1 25 GLN H 1 66 VAL HA 4.300 . 6.000 4.572 4.226 6.021 0.021 11 0 "[ . 1 . 2]" 1
392 1 25 GLN H 1 68 ASN HA 3.700 . 5.400 5.218 4.584 5.585 0.185 19 0 "[ . 1 . 2]" 1
393 1 25 GLN HA 1 26 ALA H 2.600 . 2.900 2.126 2.013 2.381 . 0 0 "[ . 1 . 2]" 1
394 1 25 GLN HA 1 27 ALA H 3.900 . 6.000 6.108 5.439 6.243 0.243 10 0 "[ . 1 . 2]" 1
395 1 25 GLN HA 1 66 VAL H 5.700 . 6.000 4.708 2.384 5.376 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLN HA 1 68 ASN H 4.200 . 6.000 3.851 3.540 4.179 . 0 0 "[ . 1 . 2]" 1
397 1 25 GLN QB 1 67 PHE H 4.500 . 6.000 3.346 2.838 4.825 . 0 0 "[ . 1 . 2]" 1
398 1 25 GLN HB3 1 26 ALA H 3.700 . 5.400 3.320 2.380 4.305 . 0 0 "[ . 1 . 2]" 1
399 1 25 GLN HB3 1 67 PHE H 6.000 . 6.000 3.763 2.919 5.309 . 0 0 "[ . 1 . 2]" 1
400 1 25 GLN HB3 1 68 ASN H 5.500 . 6.000 4.486 3.780 5.892 . 0 0 "[ . 1 . 2]" 1
401 1 25 GLN QE 1 26 ALA H . . 4.800 3.314 2.732 4.404 . 0 0 "[ . 1 . 2]" 1
402 1 25 GLN QE 1 67 PHE H 4.700 . 6.000 5.827 4.553 7.077 1.077 11 1 "[ . 1+ . 2]" 1
403 1 25 GLN HG2 1 26 ALA H 4.200 . 6.000 4.441 2.394 5.714 . 0 0 "[ . 1 . 2]" 1
404 1 25 GLN HG2 1 66 VAL H 6.000 . 6.000 5.200 4.102 6.029 0.029 15 0 "[ . 1 . 2]" 1
405 1 26 ALA H 1 26 ALA MB . . 3.800 2.369 2.279 3.038 . 0 0 "[ . 1 . 2]" 1
406 1 26 ALA H 1 29 LEU QD 2.700 . 4.500 4.208 3.818 4.690 0.190 5 0 "[ . 1 . 2]" 1
407 1 26 ALA H 1 64 ASN HD21 4.700 . 6.000 4.881 4.327 5.281 . 0 0 "[ . 1 . 2]" 1
408 1 26 ALA H 1 65 PRO HD2 3.000 . 4.100 3.402 2.538 4.159 0.059 10 0 "[ . 1 . 2]" 1
409 1 26 ALA H 1 66 VAL HB 3.500 . 5.000 4.837 1.835 5.642 0.642 5 2 "[ - + 1 . 2]" 1
410 1 26 ALA H 1 67 PHE HA 3.700 . 6.000 6.715 5.096 7.527 1.527 20 12 "[***** ***1 - . ** +]" 1
411 1 26 ALA H 1 68 ASN H 4.400 . 6.000 5.815 5.406 6.125 0.125 20 0 "[ . 1 . 2]" 1
412 1 26 ALA HA 1 27 ALA H 2.400 . 3.100 2.321 2.282 2.417 . 0 0 "[ . 1 . 2]" 1
413 1 26 ALA MB 1 27 ALA H 2.600 . 3.400 2.723 2.487 3.257 . 0 0 "[ . 1 . 2]" 1
414 1 26 ALA MB 1 28 GLU H 4.600 . 6.000 4.971 4.650 5.140 . 0 0 "[ . 1 . 2]" 1
415 1 27 ALA H 1 27 ALA MB 2.400 . 3.100 2.522 2.424 2.952 . 0 0 "[ . 1 . 2]" 1
416 1 27 ALA H 1 28 GLU H 4.200 . 6.000 4.251 3.331 4.374 . 0 0 "[ . 1 . 2]" 1
417 1 27 ALA H 1 28 GLU QB 3.500 . 5.000 4.976 4.867 5.629 0.629 18 1 "[ . 1 . + 2]" 1
418 1 27 ALA H 1 28 GLU QG 3.800 . 5.600 5.211 4.102 5.535 . 0 0 "[ . 1 . 2]" 1
419 1 27 ALA H 1 29 LEU H 4.700 . 6.000 4.968 4.710 5.197 . 0 0 "[ . 1 . 2]" 1
420 1 27 ALA H 1 29 LEU QD 2.900 . 4.000 2.549 2.025 3.342 . 0 0 "[ . 1 . 2]" 1
421 1 27 ALA H 1 64 ASN HD21 5.700 . 6.000 4.987 2.751 5.375 . 0 0 "[ . 1 . 2]" 1
422 1 27 ALA H 1 123 LEU H 4.200 . 6.000 5.501 5.010 6.999 0.999 19 1 "[ . 1 . +2]" 1
423 1 27 ALA HA 1 28 GLU H 2.100 . 2.700 2.178 2.068 2.789 0.089 19 0 "[ . 1 . 2]" 1
424 1 27 ALA HA 1 29 LEU H 4.200 . 6.000 4.243 3.990 4.675 . 0 0 "[ . 1 . 2]" 1
425 1 27 ALA HA 1 64 ASN H 4.000 . 6.000 5.174 4.950 6.432 0.432 19 0 "[ . 1 . 2]" 1
426 1 27 ALA MB 1 28 GLU H 2.800 . 3.800 3.197 3.023 3.803 0.003 19 0 "[ . 1 . 2]" 1
427 1 27 ALA MB 1 64 ASN H 5.200 . 6.000 6.043 5.888 6.106 0.106 16 0 "[ . 1 . 2]" 1
428 1 28 GLU H 1 28 GLU HA 2.200 . 2.800 2.269 2.221 2.301 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLU H 1 28 GLU QB 2.400 . 3.100 2.656 2.399 2.777 . 0 0 "[ . 1 . 2]" 1
430 1 28 GLU H 1 28 GLU QG 2.500 . 3.300 2.808 2.537 3.331 0.031 18 0 "[ . 1 . 2]" 1
431 1 28 GLU H 1 29 LEU H 2.700 . 3.600 2.773 2.567 3.417 . 0 0 "[ . 1 . 2]" 1
432 1 28 GLU H 1 29 LEU QD 6.000 . 6.000 3.609 3.083 4.414 . 0 0 "[ . 1 . 2]" 1
433 1 28 GLU H 1 29 LEU HG 3.900 . 5.800 3.876 3.372 4.731 . 0 0 "[ . 1 . 2]" 1
434 1 28 GLU H 1 63 LEU HA 5.200 . 6.000 4.881 4.626 5.459 . 0 0 "[ . 1 . 2]" 1
435 1 28 GLU H 1 63 LEU QB 2.500 . 3.300 3.624 3.319 4.387 1.087 19 4 "[* *. 1 . - +2]" 1
436 1 28 GLU H 1 63 LEU QD 4.600 . 6.000 4.866 4.447 5.587 . 0 0 "[ . 1 . 2]" 1
437 1 28 GLU H 1 64 ASN H 5.900 . 6.000 4.110 3.594 4.535 . 0 0 "[ . 1 . 2]" 1
438 1 28 GLU H 1 64 ASN HB3 5.500 . 6.000 3.826 3.443 4.306 . 0 0 "[ . 1 . 2]" 1
439 1 28 GLU H 1 64 ASN HD21 3.900 . 5.800 3.756 3.549 3.969 . 0 0 "[ . 1 . 2]" 1
440 1 28 GLU H 1 64 ASN HD22 4.500 . 6.000 3.953 3.633 4.075 . 0 0 "[ . 1 . 2]" 1
441 1 28 GLU H 1 65 PRO QG 5.200 . 6.000 5.463 5.336 5.709 . 0 0 "[ . 1 . 2]" 1
442 1 28 GLU HA 1 29 LEU H 2.500 . 3.300 2.730 2.668 2.874 . 0 0 "[ . 1 . 2]" 1
443 1 28 GLU QG 1 29 LEU H 3.000 . 6.000 4.581 4.032 4.975 . 0 0 "[ . 1 . 2]" 1
444 1 29 LEU H 1 29 LEU HB2 2.500 . 3.300 2.851 2.605 3.122 . 0 0 "[ . 1 . 2]" 1
445 1 29 LEU H 1 29 LEU HB3 2.300 . 3.000 2.191 1.925 2.722 . 0 0 "[ . 1 . 2]" 1
446 1 29 LEU H 1 29 LEU QD 3.200 . 6.000 2.539 1.856 2.949 . 0 0 "[ . 1 . 2]" 1
447 1 29 LEU H 1 29 LEU HG 2.200 . 2.800 2.214 1.932 2.808 0.068 6 0 "[ . 1 . 2]" 1
448 1 29 LEU H 1 30 PRO HD2 6.000 . 6.000 5.081 4.756 5.283 . 0 0 "[ . 1 . 2]" 1
449 1 29 LEU H 1 63 LEU HA 3.700 . 5.400 3.590 2.946 4.827 . 0 0 "[ . 1 . 2]" 1
450 1 29 LEU H 1 63 LEU QB 3.300 . 4.600 2.737 2.323 3.160 . 0 0 "[ . 1 . 2]" 1
451 1 29 LEU H 1 63 LEU QD 3.000 . 4.100 3.634 2.469 3.985 . 0 0 "[ . 1 . 2]" 1
452 1 29 LEU H 1 64 ASN H 4.800 . 6.000 4.852 4.429 5.196 . 0 0 "[ . 1 . 2]" 1
453 1 29 LEU H 1 64 ASN HB2 4.700 . 6.000 4.649 4.292 5.045 . 0 0 "[ . 1 . 2]" 1
454 1 29 LEU H 1 64 ASN HD21 6.000 . 6.000 6.034 5.979 6.083 0.083 5 0 "[ . 1 . 2]" 1
455 1 29 LEU H 1 65 PRO HD3 6.000 . 6.000 4.045 3.465 4.802 . 0 0 "[ . 1 . 2]" 1
456 1 29 LEU H 1 65 PRO QG 2.800 . 6.000 5.276 4.818 6.022 0.022 1 0 "[ . 1 . 2]" 1
457 1 29 LEU QD 1 64 ASN H 3.200 . 6.000 5.379 4.292 5.953 . 0 0 "[ . 1 . 2]" 1
458 1 29 LEU HG 1 64 ASN H 3.800 . 5.600 5.771 5.040 7.600 2.000 1 3 "[+ - * 1 . 2]" 1
459 1 30 PRO HA 1 31 ALA H 3.300 . 4.600 2.160 2.080 2.232 . 0 0 "[ . 1 . 2]" 1
460 1 30 PRO HA 1 32 LEU H 6.000 . 6.000 5.975 5.866 6.067 0.067 16 0 "[ . 1 . 2]" 1
461 1 30 PRO HB2 1 31 ALA H 2.800 . 3.800 3.564 3.064 3.856 0.056 7 0 "[ . 1 . 2]" 1
462 1 30 PRO HG2 1 31 ALA H 3.700 . 5.400 5.278 4.761 5.528 0.128 17 0 "[ . 1 . 2]" 1
463 1 31 ALA H 1 31 ALA HA 2.700 . 3.600 2.870 2.842 2.910 . 0 0 "[ . 1 . 2]" 1
464 1 31 ALA H 1 31 ALA MB 2.200 . 2.800 2.213 2.172 2.259 . 0 0 "[ . 1 . 2]" 1
465 1 31 ALA H 1 38 SER H 6.000 . 6.000 5.831 4.858 6.079 0.079 5 0 "[ . 1 . 2]" 1
466 1 31 ALA H 1 38 SER HA 2.800 . 6.000 5.978 5.551 6.177 0.177 16 0 "[ . 1 . 2]" 1
467 1 31 ALA H 1 63 LEU QB 2.900 . 6.000 5.068 4.222 5.490 . 0 0 "[ . 1 . 2]" 1
468 1 31 ALA H 1 63 LEU QD 3.300 . 6.000 2.788 2.440 4.177 . 0 0 "[ . 1 . 2]" 1
469 1 31 ALA HA 1 33 ASP H 4.100 . 5.400 3.828 3.660 4.057 . 0 0 "[ . 1 . 2]" 1
470 1 31 ALA HA 1 37 THR H 4.800 . 6.000 4.515 4.206 6.010 0.010 16 0 "[ . 1 . 2]" 1
471 1 31 ALA MB 1 32 LEU H 5.100 . 6.000 3.203 3.069 3.286 . 0 0 "[ . 1 . 2]" 1
472 1 31 ALA MB 1 33 ASP H . . 3.900 2.869 2.565 3.084 . 0 0 "[ . 1 . 2]" 1
473 1 31 ALA MB 1 63 LEU H 5.500 . 6.000 5.356 4.338 5.768 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU H 1 32 LEU QD 4.000 . 6.000 2.745 1.874 3.136 0.126 16 0 "[ . 1 . 2]" 1
475 1 32 LEU H 1 36 GLY HA2 5.700 . 6.000 6.183 6.002 6.655 0.655 5 3 "[ * + 1 .- 2]" 1
476 1 32 LEU H 1 37 THR HB 4.300 . 6.000 5.934 5.743 6.220 0.220 10 0 "[ . 1 . 2]" 1
477 1 32 LEU H 1 38 SER HA 3.200 . 4.500 2.340 1.968 3.795 . 0 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 38 SER HB3 4.100 . 6.000 2.830 1.788 4.301 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU H 1 39 ASP H 6.000 . 6.000 4.008 3.530 5.196 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU H 1 63 LEU QD 5.500 . 6.000 3.644 3.133 4.016 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU H 1 91 ASP HA 4.500 . 6.000 6.104 6.035 6.251 0.251 16 0 "[ . 1 . 2]" 1
482 1 32 LEU H 1 91 ASP HB3 5.000 . 6.000 4.659 4.372 5.130 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU HA 1 33 ASP H 3.400 . 4.900 2.803 2.549 3.313 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU QB 1 98 HIS H 2.800 . 6.000 5.716 2.776 6.120 0.120 2 0 "[ . 1 . 2]" 1
485 1 32 LEU QB 1 34 MET H 3.400 . 6.000 6.206 5.961 6.543 0.543 16 1 "[ . 1 .+ 2]" 1
486 1 32 LEU QD 1 37 THR H 4.200 . 6.000 6.169 5.968 6.354 0.354 16 0 "[ . 1 . 2]" 1
487 1 32 LEU QD 1 38 SER H 5.400 . 6.000 5.876 5.016 6.139 0.139 11 0 "[ . 1 . 2]" 1
488 1 32 LEU QD 1 39 ASP H 5.400 . 6.000 4.803 3.159 5.509 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU QD 1 98 HIS H 4.200 . 6.000 5.040 3.127 5.426 . 0 0 "[ . 1 . 2]" 1
490 1 32 LEU QD 1 99 ASP H 3.100 . 4.300 2.771 1.774 4.558 0.258 17 0 "[ . 1 . 2]" 1
491 1 32 LEU HG 1 39 ASP H 5.400 . 6.000 5.846 4.970 6.341 0.341 9 0 "[ . 1 . 2]" 1
492 1 32 LEU HG 1 91 ASP H 4.100 . 6.000 4.875 4.031 6.105 0.105 17 0 "[ . 1 . 2]" 1
493 1 33 ASP H 1 33 ASP HA 2.300 . 3.000 2.910 2.886 2.958 . 0 0 "[ . 1 . 2]" 1
494 1 33 ASP H 1 34 MET H 4.300 . 6.000 4.341 4.273 4.437 . 0 0 "[ . 1 . 2]" 1
495 1 33 ASP H 1 38 SER HA 2.500 . 6.000 3.682 3.265 4.488 . 0 0 "[ . 1 . 2]" 1
496 1 33 ASP H 1 39 ASP H 3.900 . 5.800 5.639 5.379 6.168 0.368 16 0 "[ . 1 . 2]" 1
497 1 33 ASP H 1 63 LEU QD 5.700 . 6.000 4.751 4.409 5.849 . 0 0 "[ . 1 . 2]" 1
498 1 33 ASP H 1 93 ASP QB 2.900 . 6.000 5.465 4.664 6.433 0.433 10 0 "[ . 1 . 2]" 1
499 1 33 ASP HB2 1 37 THR H 4.400 . 6.000 4.912 4.499 6.247 0.247 16 0 "[ . 1 . 2]" 1
500 1 34 MET H 1 34 MET HA 2.900 . 4.000 2.887 2.872 2.937 . 0 0 "[ . 1 . 2]" 1
501 1 34 MET H 1 34 MET HB3 2.500 . 3.300 3.096 2.400 3.655 0.355 16 0 "[ . 1 . 2]" 1
502 1 34 MET H 1 34 MET QG 3.400 . 4.800 3.320 1.940 4.096 0.060 5 0 "[ . 1 . 2]" 1
503 1 34 MET H 1 35 GLY HA2 5.000 . 6.000 5.576 5.071 5.654 . 0 0 "[ . 1 . 2]" 1
504 1 35 GLY HA3 1 37 THR H 4.800 . 6.000 3.932 3.637 5.371 . 0 0 "[ . 1 . 2]" 1
505 1 37 THR H 1 61 LYS HB3 5.900 . 6.000 5.885 5.445 6.068 0.068 15 0 "[ . 1 . 2]" 1
506 1 37 THR HA 1 38 SER H 2.700 . 3.600 2.538 2.438 2.876 . 0 0 "[ . 1 . 2]" 1
507 1 37 THR HA 1 62 THR H 3.400 . 4.800 4.880 4.543 6.130 1.330 16 1 "[ . 1 .+ 2]" 1
508 1 37 THR HA 1 63 LEU H 5.600 . 6.000 4.093 3.747 6.320 0.320 16 0 "[ . 1 . 2]" 1
509 1 37 THR HB 1 38 SER H 2.700 . 3.600 2.183 2.027 2.418 . 0 0 "[ . 1 . 2]" 1
510 1 37 THR HB 1 61 LYS H 4.600 . 6.000 4.146 3.793 6.019 0.019 16 0 "[ . 1 . 2]" 1
511 1 37 THR HG1 1 38 SER H 3.300 . 4.700 3.608 3.434 3.857 . 0 0 "[ . 1 . 2]" 1
512 1 37 THR HG1 1 39 ASP H 5.400 . 6.000 5.765 5.592 6.001 0.001 3 0 "[ . 1 . 2]" 1
513 1 37 THR HG1 1 61 LYS H 4.400 . 6.000 4.340 4.037 4.962 . 0 0 "[ . 1 . 2]" 1
514 1 37 THR HG1 1 62 THR H 3.200 . 4.400 4.449 4.237 4.567 0.167 1 0 "[ . 1 . 2]" 1
515 1 37 THR HG1 1 63 LEU H 4.000 . 6.000 6.126 6.029 6.239 0.239 19 0 "[ . 1 . 2]" 1
516 1 38 SER H 1 38 SER HA 2.900 . 4.000 2.922 2.905 2.930 . 0 0 "[ . 1 . 2]" 1
517 1 38 SER H 1 38 SER HB3 3.700 . 5.500 2.831 2.376 3.161 . 0 0 "[ . 1 . 2]" 1
518 1 38 SER H 1 62 THR H 3.300 . 4.700 2.966 2.651 3.560 . 0 0 "[ . 1 . 2]" 1
519 1 38 SER H 1 63 LEU HA 4.300 . 6.000 3.439 3.003 4.468 . 0 0 "[ . 1 . 2]" 1
520 1 38 SER H 1 63 LEU QB 4.100 . 6.000 4.251 2.773 4.594 . 0 0 "[ . 1 . 2]" 1
521 1 38 SER H 1 63 LEU QD 3.500 . 5.100 2.119 1.791 3.865 0.109 16 0 "[ . 1 . 2]" 1
522 1 38 SER HA 1 39 ASP H 4.200 . 6.000 2.402 1.967 2.541 0.033 16 0 "[ . 1 . 2]" 1
523 1 38 SER HA 1 61 LYS H 4.400 . 6.000 4.912 4.529 5.664 . 0 0 "[ . 1 . 2]" 1
524 1 38 SER HB2 1 39 ASP H 4.600 . 6.000 2.959 2.440 3.917 . 0 0 "[ . 1 . 2]" 1
525 1 38 SER HB3 1 39 ASP H 4.400 . 6.000 3.885 3.754 4.040 . 0 0 "[ . 1 . 2]" 1
526 1 39 ASP H 1 40 PRO HD2 4.600 . 6.000 4.056 3.585 4.750 . 0 0 "[ . 1 . 2]" 1
527 1 39 ASP H 1 40 PRO HD3 3.700 . 5.500 3.355 3.166 3.765 . 0 0 "[ . 1 . 2]" 1
528 1 39 ASP H 1 59 HIS H 4.600 . 6.000 6.143 5.786 8.129 2.129 10 1 "[ . + . 2]" 1
529 1 39 ASP H 1 59 HIS HB2 4.500 . 6.000 6.091 4.610 6.562 0.562 1 1 "[+ . 1 . 2]" 1
530 1 39 ASP H 1 61 LYS HA 6.000 . 6.000 5.517 5.348 5.680 . 0 0 "[ . 1 . 2]" 1
531 1 39 ASP H 1 62 THR H 4.600 . 6.000 5.057 4.859 5.347 . 0 0 "[ . 1 . 2]" 1
532 1 39 ASP HA 1 61 LYS H 3.200 . 4.500 2.832 2.481 3.185 . 0 0 "[ . 1 . 2]" 1
533 1 39 ASP HA 1 62 THR H 3.600 . 5.200 3.542 3.367 3.757 . 0 0 "[ . 1 . 2]" 1
534 1 40 PRO HA 1 41 TYR H 2.200 . 2.800 2.154 2.067 2.266 . 0 0 "[ . 1 . 2]" 1
535 1 40 PRO HB2 1 41 TYR H 3.100 . 4.300 3.349 3.019 3.722 . 0 0 "[ . 1 . 2]" 1
536 1 40 PRO HD2 1 61 LYS H 5.100 . 6.000 4.114 3.623 5.020 . 0 0 "[ . 1 . 2]" 1
537 1 40 PRO HD2 1 62 THR H 3.200 . 4.500 3.272 2.922 4.197 . 0 0 "[ . 1 . 2]" 1
538 1 40 PRO HG2 1 62 THR H 3.200 . 4.400 4.651 4.325 5.153 0.753 3 3 "[ + * - 1 . 2]" 1
539 1 40 PRO HG2 1 64 ASN H 3.700 . 5.400 5.138 4.264 5.773 0.373 1 0 "[ . 1 . 2]" 1
540 1 40 PRO HG3 1 63 LEU H 4.000 . 5.600 5.457 4.652 5.736 0.136 12 0 "[ . 1 . 2]" 1
541 1 41 TYR H 1 41 TYR HA 3.000 . 4.100 2.836 2.780 2.878 . 0 0 "[ . 1 . 2]" 1
542 1 41 TYR H 1 41 TYR QB 3.500 . 5.000 2.825 2.607 3.014 . 0 0 "[ . 1 . 2]" 1
543 1 41 TYR H 1 41 TYR QE 4.600 . 6.000 5.797 5.442 6.365 0.365 12 0 "[ . 1 . 2]" 1
544 1 41 TYR H 1 43 LYS QG 4.800 . 6.000 5.761 4.922 6.039 0.039 1 0 "[ . 1 . 2]" 1
545 1 41 TYR H 1 56 THR HB 3.800 . 6.000 5.602 4.655 7.455 1.455 10 1 "[ . + . 2]" 1
546 1 41 TYR H 1 56 THR HG1 3.500 . 4.800 4.963 4.853 5.123 0.323 3 0 "[ . 1 . 2]" 1
547 1 41 TYR H 1 65 PRO HB3 3.500 . 6.000 5.205 4.987 5.635 . 0 0 "[ . 1 . 2]" 1
548 1 41 TYR H 1 89 VAL H 3.600 . 6.000 6.200 5.745 6.934 0.934 1 2 "[+ - 1 . 2]" 1
549 1 41 TYR H 1 89 VAL HA 3.600 . 5.200 3.582 3.101 4.131 . 0 0 "[ . 1 . 2]" 1
550 1 41 TYR H 1 90 TYR H 3.200 . 3.300 2.883 2.170 3.249 . 0 0 "[ . 1 . 2]" 1
551 1 41 TYR H 1 91 ASP HB2 5.900 . 6.000 5.408 5.090 6.069 0.069 12 0 "[ . 1 . 2]" 1
552 1 41 TYR H 1 92 PHE H 4.700 . 6.000 4.997 4.632 5.399 . 0 0 "[ . 1 . 2]" 1
553 1 41 TYR HA 1 59 HIS H 6.000 . 6.000 4.560 4.042 5.810 . 0 0 "[ . 1 . 2]" 1
554 1 41 TYR QB 1 56 THR H 5.400 . 6.000 4.632 4.099 5.986 . 0 0 "[ . 1 . 2]" 1
555 1 41 TYR QB 1 58 VAL H 6.000 . 6.000 4.644 3.791 6.220 0.220 12 0 "[ . 1 . 2]" 1
556 1 41 TYR QB 1 91 ASP H 3.900 . 6.000 5.513 4.279 5.941 . 0 0 "[ . 1 . 2]" 1
557 1 41 TYR QE 1 43 LYS H 4.800 . 6.000 3.707 3.241 5.891 . 0 0 "[ . 1 . 2]" 1
558 1 42 VAL HA 1 43 LYS H 2.400 . 3.100 2.119 2.039 2.403 . 0 0 "[ . 1 . 2]" 1
559 1 42 VAL HA 1 89 VAL H 3.900 . 5.800 4.298 3.791 6.103 0.303 12 0 "[ . 1 . 2]" 1
560 1 42 VAL HA 1 90 TYR H 3.700 . 5.400 3.181 2.723 4.440 . 0 0 "[ . 1 . 2]" 1
561 1 42 VAL HB 1 43 LYS H 4.000 . 6.000 4.080 3.377 4.490 . 0 0 "[ . 1 . 2]" 1
562 1 42 VAL HB 1 56 THR H 3.600 . 5.200 4.241 1.866 5.460 0.260 11 0 "[ . 1 . 2]" 1
563 1 43 LYS H 1 43 LYS QB 3.000 . 4.100 2.681 2.304 3.022 . 0 0 "[ . 1 . 2]" 1
564 1 43 LYS H 1 43 LYS HD3 4.200 . 6.000 4.417 3.348 4.952 . 0 0 "[ . 1 . 2]" 1
565 1 43 LYS H 1 43 LYS QG 3.100 . 4.300 2.245 1.853 2.725 0.047 8 0 "[ . 1 . 2]" 1
566 1 43 LYS H 1 44 VAL H 4.900 . 6.000 4.399 4.257 4.543 . 0 0 "[ . 1 . 2]" 1
567 1 43 LYS H 1 88 ALA H 2.700 . 3.600 3.137 2.767 3.767 0.167 12 0 "[ . 1 . 2]" 1
568 1 43 LYS H 1 89 VAL H 4.100 . 6.000 4.593 4.391 4.892 . 0 0 "[ . 1 . 2]" 1
569 1 43 LYS H 1 89 VAL HA 3.900 . 5.800 3.137 2.885 3.517 . 0 0 "[ . 1 . 2]" 1
570 1 43 LYS H 1 90 TYR H 2.900 . 3.900 3.473 3.154 3.754 . 0 0 "[ . 1 . 2]" 1
571 1 43 LYS HA 1 44 VAL H 2.400 . 3.100 2.177 2.073 2.301 . 0 0 "[ . 1 . 2]" 1
572 1 43 LYS HA 1 56 THR H 3.700 . 5.400 4.451 3.776 5.060 . 0 0 "[ . 1 . 2]" 1
573 1 43 LYS HB2 1 88 ALA H 3.300 . 4.700 3.862 2.819 4.837 0.137 15 0 "[ . 1 . 2]" 1
574 1 43 LYS HD3 1 44 VAL H 2.500 . 6.000 6.012 5.496 6.663 0.663 17 2 "[ . 1 . +- 2]" 1
575 1 43 LYS QG 1 44 VAL H 3.900 . 5.800 4.393 4.188 4.767 . 0 0 "[ . 1 . 2]" 1
576 1 43 LYS QG 1 90 TYR H 2.600 . 3.500 3.508 3.062 4.020 0.520 1 1 "[+ . 1 . 2]" 1
577 1 44 VAL H 1 44 VAL HB 2.900 . 4.000 2.820 2.399 3.759 . 0 0 "[ . 1 . 2]" 1
578 1 44 VAL H 1 45 PHE H 3.300 . 4.700 4.347 3.977 4.501 . 0 0 "[ . 1 . 2]" 1
579 1 44 VAL H 1 52 LYS QB 4.100 . 6.000 5.632 4.463 7.104 1.104 15 3 "[- * . 1 + 2]" 1
580 1 44 VAL H 1 53 LYS QG 4.300 . 6.000 5.756 2.125 7.845 1.845 5 5 "[ * + 1*- . * 2]" 1
581 1 44 VAL H 1 54 PHE H 5.500 . 6.000 3.719 2.227 5.860 . 0 0 "[ . 1 . 2]" 1
582 1 44 VAL H 1 55 GLU HA 3.400 . 4.900 4.481 3.787 5.159 0.259 6 0 "[ . 1 . 2]" 1
583 1 44 VAL H 1 88 ALA MB 3.400 . 6.000 5.337 4.801 5.806 . 0 0 "[ . 1 . 2]" 1
584 1 44 VAL HA 1 45 PHE H 2.900 . 3.900 2.160 2.068 2.289 . 0 0 "[ . 1 . 2]" 1
585 1 44 VAL HA 1 86 VAL H 6.000 . 6.000 5.503 4.673 6.031 0.031 5 0 "[ . 1 . 2]" 1
586 1 44 VAL HA 1 88 ALA H 3.400 . 4.800 3.320 2.758 3.810 . 0 0 "[ . 1 . 2]" 1
587 1 44 VAL HB 1 45 PHE H 4.500 . 6.000 4.173 3.367 4.498 . 0 0 "[ . 1 . 2]" 1
588 1 44 VAL HB 1 54 PHE H 4.800 . 6.000 4.254 1.946 6.078 0.078 15 0 "[ . 1 . 2]" 1
589 1 45 PHE H 1 46 LEU H 5.300 . 6.000 4.290 4.172 4.358 . 0 0 "[ . 1 . 2]" 1
590 1 45 PHE H 1 46 LEU HA 5.100 . 6.000 4.726 4.513 4.869 . 0 0 "[ . 1 . 2]" 1
591 1 45 PHE H 1 50 LYS QD 4.500 . 6.000 5.205 4.340 6.480 0.480 15 0 "[ . 1 . 2]" 1
592 1 45 PHE H 1 50 LYS QG 4.400 . 6.000 5.953 5.734 6.834 0.834 3 2 "[ + - 1 . 2]" 1
593 1 45 PHE H 1 84 THR HG1 4.900 . 6.000 8.310 6.390 10.698 4.698 5 19 "[****+**********- ***]" 1
594 1 45 PHE H 1 85 LEU HA 3.700 . 5.400 5.262 4.874 5.537 0.137 8 0 "[ . 1 . 2]" 1
595 1 45 PHE H 1 85 LEU QD 5.000 . 6.000 4.530 3.358 5.748 . 0 0 "[ . 1 . 2]" 1
596 1 45 PHE H 1 85 LEU HG 3.200 . 6.000 5.987 5.605 6.335 0.335 1 0 "[ . 1 . 2]" 1
597 1 45 PHE H 1 86 VAL H 3.200 . 4.500 3.814 3.213 4.469 . 0 0 "[ . 1 . 2]" 1
598 1 45 PHE H 1 86 VAL HB 4.400 . 6.000 5.135 4.463 5.837 . 0 0 "[ . 1 . 2]" 1
599 1 45 PHE H 1 87 MET HA 3.200 . 4.500 2.976 2.396 3.653 . 0 0 "[ . 1 . 2]" 1
600 1 45 PHE H 1 88 ALA MB 3.900 . 4.800 5.043 4.876 5.522 0.722 3 1 "[ + . 1 . 2]" 1
601 1 45 PHE HA 1 46 LEU H 2.700 . 3.600 2.398 2.234 2.523 . 0 0 "[ . 1 . 2]" 1
602 1 46 LEU H 1 46 LEU QD 3.300 . 4.600 3.317 2.697 3.845 . 0 0 "[ . 1 . 2]" 1
603 1 46 LEU H 1 46 LEU HG 3.100 . 4.300 3.657 2.545 4.509 0.209 16 0 "[ . 1 . 2]" 1
604 1 46 LEU H 1 47 LEU H 5.500 . 6.000 4.421 4.326 4.506 . 0 0 "[ . 1 . 2]" 1
605 1 46 LEU H 1 50 LYS H 6.000 . 6.000 4.081 3.416 5.169 . 0 0 "[ . 1 . 2]" 1
606 1 46 LEU H 1 50 LYS QD 3.500 . 5.000 2.349 1.595 3.590 0.405 4 0 "[ . 1 . 2]" 1
607 1 46 LEU H 1 50 LYS HE2 3.200 . 4.500 4.249 3.388 4.628 0.128 10 0 "[ . 1 . 2]" 1
608 1 46 LEU H 1 50 LYS QG 3.200 . 4.500 2.582 1.873 3.364 0.127 17 0 "[ . 1 . 2]" 1
609 1 46 LEU H 1 87 MET HA 5.900 . 6.000 7.121 6.401 7.833 1.833 1 16 "[+** *** **** -*** **]" 1
610 1 46 LEU HA 1 47 LEU H 3.000 . 4.100 2.357 2.224 2.456 . 0 0 "[ . 1 . 2]" 1
611 1 46 LEU HA 1 51 LYS H 3.900 . 5.800 5.685 3.943 6.397 0.597 1 1 "[+ . 1 . 2]" 1
612 1 46 LEU QB 1 47 LEU H 3.700 . 3.800 2.640 2.062 3.455 . 0 0 "[ . 1 . 2]" 1
613 1 46 LEU QB 1 84 THR H 3.800 . 5.600 2.929 1.913 4.178 0.087 16 0 "[ . 1 . 2]" 1
614 1 46 LEU QB 1 50 LYS H . . 3.500 1.964 1.604 3.252 0.396 18 0 "[ . 1 . 2]" 1
615 1 46 LEU QB 1 51 LYS H 2.500 . 2.800 2.861 1.446 4.250 1.450 1 2 "[+ . 1 - 2]" 1
616 1 46 LEU QB 1 86 VAL H 3.600 . 5.000 4.735 4.154 4.995 . 0 0 "[ . 1 . 2]" 1
617 1 46 LEU QD 1 47 LEU H 3.200 . 4.500 3.182 1.967 3.911 . 0 0 "[ . 1 . 2]" 1
618 1 46 LEU QD 1 73 PHE H 5.100 . 6.000 5.870 4.884 6.296 0.296 14 0 "[ . 1 . 2]" 1
619 1 46 LEU QD 1 74 LYS H 6.000 . 6.000 4.453 2.987 6.187 0.187 17 0 "[ . 1 . 2]" 1
620 1 46 LEU QD 1 75 VAL H 4.600 . 6.000 4.474 3.225 5.442 . 0 0 "[ . 1 . 2]" 1
621 1 46 LEU QD 1 83 LYS H 3.900 . 5.800 4.622 4.170 5.707 . 0 0 "[ . 1 . 2]" 1
622 1 46 LEU QD 1 84 THR H 3.700 . 5.400 3.487 2.743 5.199 . 0 0 "[ . 1 . 2]" 1
623 1 46 LEU QD 1 85 LEU H 3.500 . 5.000 3.726 3.004 5.004 0.004 20 0 "[ . 1 . 2]" 1
624 1 46 LEU QD 1 86 VAL H 2.600 . 3.400 3.055 2.349 3.683 0.283 13 0 "[ . 1 . 2]" 1
625 1 46 LEU HG 1 50 LYS H 3.200 . 4.400 4.064 2.256 5.090 0.690 1 1 "[+ . 1 . 2]" 1
626 1 46 LEU HG 1 51 LYS H 4.500 . 6.000 4.139 2.517 5.573 . 0 0 "[ . 1 . 2]" 1
627 1 46 LEU HG 1 86 VAL H 3.000 . 6.000 5.002 3.589 6.034 0.034 5 0 "[ . 1 . 2]" 1
628 1 47 LEU H 1 47 LEU HB2 2.800 . 3.800 2.952 2.213 3.736 . 0 0 "[ . 1 . 2]" 1
629 1 47 LEU H 1 47 LEU MD1 3.500 . 5.000 3.916 2.817 4.516 . 0 0 "[ . 1 . 2]" 1
630 1 47 LEU H 1 47 LEU MD2 5.000 . 6.000 3.510 2.440 4.175 . 0 0 "[ . 1 . 2]" 1
631 1 47 LEU H 1 48 PRO HD2 5.500 . 6.000 4.674 4.531 4.788 . 0 0 "[ . 1 . 2]" 1
632 1 47 LEU H 1 48 PRO HD3 4.900 . 6.000 5.467 5.376 5.590 . 0 0 "[ . 1 . 2]" 1
633 1 47 LEU H 1 83 LYS HA 3.500 . 5.100 4.627 3.624 5.620 0.520 1 1 "[+ . 1 . 2]" 1
634 1 47 LEU H 1 83 LYS QG 4.000 . 6.000 5.302 3.838 6.148 0.148 5 0 "[ . 1 . 2]" 1
635 1 47 LEU H 1 84 THR H 3.300 . 4.600 2.992 1.991 3.964 0.009 17 0 "[ . 1 . 2]" 1
636 1 47 LEU H 1 86 VAL H 3.800 . 5.600 4.329 3.489 5.636 0.036 15 0 "[ . 1 . 2]" 1
637 1 47 LEU HB2 1 84 THR H 3.400 . 4.800 3.912 1.962 5.212 0.412 7 0 "[ . 1 . 2]" 1
638 1 47 LEU MD2 1 50 LYS H 3.000 . 6.000 5.909 4.839 6.798 0.798 19 1 "[ . 1 . +2]" 1
639 1 47 LEU MD2 1 84 THR H 3.800 . 5.600 3.476 1.904 6.085 0.485 1 0 "[ . 1 . 2]" 1
640 1 47 LEU HG 1 50 LYS H 5.700 . 6.000 6.157 4.727 7.213 1.213 5 3 "[- * + 1 . 2]" 1
641 1 47 LEU HG 1 84 THR H 6.000 . 6.000 4.022 1.523 5.006 . 0 0 "[ . 1 . 2]" 1
642 1 48 PRO HA 1 49 ASP H 4.800 . 6.000 3.420 3.231 3.672 . 0 0 "[ . 1 . 2]" 1
643 1 48 PRO HG2 1 49 ASP H 4.100 . 6.000 4.798 3.828 5.144 . 0 0 "[ . 1 . 2]" 1
644 1 49 ASP H 1 50 LYS H 4.000 . 6.000 2.819 2.496 3.328 . 0 0 "[ . 1 . 2]" 1
645 1 49 ASP H 1 51 LYS H 3.900 . 5.800 5.225 4.524 5.758 . 0 0 "[ . 1 . 2]" 1
646 1 49 ASP HA 1 50 LYS H 2.700 . 3.600 3.544 3.375 3.667 0.067 12 0 "[ . 1 . 2]" 1
647 1 49 ASP HA 1 51 LYS H 2.700 . 6.000 5.006 4.474 5.925 . 0 0 "[ . 1 . 2]" 1
648 1 49 ASP HB2 1 50 LYS H 3.700 . 5.400 3.481 2.527 3.754 . 0 0 "[ . 1 . 2]" 1
649 1 49 ASP HB2 1 51 LYS H 3.500 . 5.000 4.880 4.279 5.436 0.436 20 0 "[ . 1 . 2]" 1
650 1 49 ASP HB2 1 83 LYS H 6.000 . 6.000 5.796 4.638 6.618 0.618 1 3 "[+ *. 1 - . 2]" 1
651 1 49 ASP HB3 1 50 LYS H 3.100 . 4.300 2.383 1.928 4.223 . 0 0 "[ . 1 . 2]" 1
652 1 49 ASP HB3 1 51 LYS H 4.500 . 6.000 4.066 3.555 6.357 0.357 1 0 "[ . 1 . 2]" 1
653 1 50 LYS H 1 50 LYS HA 2.600 . 3.400 2.226 2.130 2.403 . 0 0 "[ . 1 . 2]" 1
654 1 50 LYS H 1 50 LYS QB 2.400 . 3.000 3.002 2.920 3.309 0.309 1 0 "[ . 1 . 2]" 1
655 1 50 LYS H 1 50 LYS QD 2.800 . 3.800 3.941 3.576 4.916 1.116 1 2 "[+ . 1 . - 2]" 1
656 1 50 LYS H 1 51 LYS H 2.400 . 3.100 2.595 2.084 2.783 . 0 0 "[ . 1 . 2]" 1
657 1 50 LYS H 1 51 LYS QB 3.100 . 4.300 4.288 4.137 4.367 0.067 3 0 "[ . 1 . 2]" 1
658 1 50 LYS H 1 52 LYS QE 4.200 . 6.000 5.610 4.473 7.979 1.979 20 2 "[ - . 1 . +]" 1
659 1 50 LYS HA 1 51 LYS H 2.200 . 2.800 2.556 2.014 2.727 . 0 0 "[ . 1 . 2]" 1
660 1 50 LYS QD 1 53 LYS H 2.000 . 6.000 4.887 4.105 5.779 . 0 0 "[ . 1 . 2]" 1
661 1 50 LYS QG 1 51 LYS H 3.700 . 5.400 4.742 4.220 4.909 . 0 0 "[ . 1 . 2]" 1
662 1 51 LYS H 1 51 LYS QB 2.200 . 2.800 2.186 1.914 2.877 0.077 1 0 "[ . 1 . 2]" 1
663 1 51 LYS H 1 51 LYS HG2 3.300 . 4.500 3.584 2.255 4.352 . 0 0 "[ . 1 . 2]" 1
664 1 51 LYS H 1 51 LYS HG3 2.600 . 3.500 3.461 1.788 4.480 0.980 17 6 "[ -** ** . + 2]" 1
665 1 51 LYS H 1 52 LYS H 2.600 . 3.500 3.187 2.778 3.878 0.378 14 0 "[ . 1 . 2]" 1
666 1 51 LYS H 1 52 LYS QE 2.600 . 6.000 4.370 3.632 5.846 . 0 0 "[ . 1 . 2]" 1
667 1 51 LYS H 1 75 VAL HA 3.100 . 6.000 6.614 5.685 9.792 3.792 5 4 "[* - + 1 * 2]" 1
668 1 51 LYS HA 1 52 LYS H 3.600 . 5.200 2.784 2.030 3.122 . 0 0 "[ . 1 . 2]" 1
669 1 51 LYS HA 1 53 LYS H 6.000 . 6.000 5.049 4.520 5.549 . 0 0 "[ . 1 . 2]" 1
670 1 52 LYS H 1 52 LYS QB 2.900 . 4.000 2.900 2.560 3.284 . 0 0 "[ . 1 . 2]" 1
671 1 52 LYS H 1 53 LYS H 3.600 . 5.200 3.666 3.478 4.191 . 0 0 "[ . 1 . 2]" 1
672 1 52 LYS H 1 74 LYS QG 3.600 . 5.200 5.570 4.450 8.796 3.596 5 4 "[* * + 1 . -2]" 1
673 1 52 LYS HA 1 53 LYS H 2.300 . 2.900 2.371 1.996 2.587 . 0 0 "[ . 1 . 2]" 1
674 1 52 LYS QB 1 53 LYS H 3.200 . 4.500 3.838 3.347 4.123 . 0 0 "[ . 1 . 2]" 1
675 1 52 LYS QD 1 73 PHE H 4.200 . 6.000 4.938 2.188 5.849 . 0 0 "[ . 1 . 2]" 1
676 1 52 LYS QD 1 74 LYS H 5.400 . 6.000 3.418 2.295 5.520 . 0 0 "[ . 1 . 2]" 1
677 1 52 LYS QE 1 73 PHE H 2.700 . 6.000 4.519 3.093 5.722 . 0 0 "[ . 1 . 2]" 1
678 1 52 LYS QE 1 74 LYS H 6.000 . 6.000 2.202 0.984 3.464 . 0 0 "[ . 1 . 2]" 1
679 1 52 LYS QE 1 75 VAL H 3.300 . 4.600 3.977 2.952 4.605 0.005 15 0 "[ . 1 . 2]" 1
680 1 52 LYS HG3 1 53 LYS H 3.100 . 6.000 5.060 3.914 6.135 0.135 8 0 "[ . 1 . 2]" 1
681 1 53 LYS H 1 53 LYS HA 3.000 . 4.100 2.884 2.778 2.927 . 0 0 "[ . 1 . 2]" 1
682 1 53 LYS H 1 53 LYS QB 3.800 . 5.600 2.346 1.977 2.801 0.023 14 0 "[ . 1 . 2]" 1
683 1 53 LYS H 1 53 LYS HD2 5.400 . 6.000 5.085 2.386 6.076 0.076 15 0 "[ . 1 . 2]" 1
684 1 53 LYS H 1 53 LYS HE2 4.800 . 6.000 5.290 4.144 6.746 0.746 14 2 "[ . - 1 +. 2]" 1
685 1 53 LYS H 1 53 LYS QG 3.600 . 4.100 3.383 1.710 3.936 0.290 17 0 "[ . 1 . 2]" 1
686 1 53 LYS H 1 54 PHE H 4.500 . 6.000 4.221 3.793 4.567 . 0 0 "[ . 1 . 2]" 1
687 1 53 LYS H 1 54 PHE HA 3.800 . 5.600 5.189 4.950 5.488 . 0 0 "[ . 1 . 2]" 1
688 1 53 LYS HA 1 54 PHE H 4.700 . 6.000 2.262 2.003 2.939 . 0 0 "[ . 1 . 2]" 1
689 1 53 LYS QG 1 54 PHE H 4.900 . 6.000 3.607 2.246 4.837 . 0 0 "[ . 1 . 2]" 1
690 1 54 PHE H 1 54 PHE HA 2.300 . 2.900 2.924 2.890 2.941 0.041 16 0 "[ . 1 . 2]" 1
691 1 54 PHE H 1 55 GLU H 3.800 . 5.600 4.508 4.198 4.630 . 0 0 "[ . 1 . 2]" 1
692 1 54 PHE HA 1 56 THR H 3.300 . 6.000 5.877 5.227 6.306 0.306 1 0 "[ . 1 . 2]" 1
693 1 55 GLU H 1 55 GLU HB3 4.400 . 6.000 3.027 2.680 3.819 . 0 0 "[ . 1 . 2]" 1
694 1 55 GLU H 1 55 GLU QG 4.800 . 6.000 3.984 2.639 4.372 . 0 0 "[ . 1 . 2]" 1
695 1 55 GLU H 1 56 THR H 3.700 . 5.400 3.896 3.566 4.387 . 0 0 "[ . 1 . 2]" 1
696 1 55 GLU H 1 69 GLU QG 6.000 . 6.000 5.621 4.426 5.936 . 0 0 "[ . 1 . 2]" 1
697 1 55 GLU HA 1 56 THR H 2.400 . 3.100 2.239 2.086 2.901 . 0 0 "[ . 1 . 2]" 1
698 1 55 GLU HB2 1 56 THR H 3.800 . 5.600 4.308 3.164 4.644 . 0 0 "[ . 1 . 2]" 1
699 1 55 GLU HB3 1 56 THR H 3.900 . 5.800 4.253 3.237 4.526 . 0 0 "[ . 1 . 2]" 1
700 1 55 GLU QG 1 56 THR H 3.300 . 4.700 3.267 1.770 4.216 0.130 18 0 "[ . 1 . 2]" 1
701 1 55 GLU QG 1 58 VAL H 4.400 . 6.000 5.802 5.182 8.309 2.309 18 1 "[ . 1 . + 2]" 1
702 1 56 THR H 1 56 THR HA 3.000 . 4.200 2.846 2.715 2.947 . 0 0 "[ . 1 . 2]" 1
703 1 56 THR H 1 56 THR HB 3.700 . 5.400 3.263 2.602 3.652 . 0 0 "[ . 1 . 2]" 1
704 1 56 THR H 1 56 THR HG1 2.400 . 3.100 2.493 1.834 3.163 0.063 19 0 "[ . 1 . 2]" 1
705 1 56 THR H 1 57 LYS H 4.300 . 6.000 4.584 4.477 4.647 . 0 0 "[ . 1 . 2]" 1
706 1 56 THR H 1 69 GLU QB 4.900 . 6.000 5.770 5.102 6.603 0.603 3 1 "[ + . 1 . 2]" 1
707 1 56 THR HA 1 57 LYS H 2.700 . 3.600 2.317 2.142 2.733 . 0 0 "[ . 1 . 2]" 1
708 1 56 THR HB 1 57 LYS H 2.700 . 3.600 3.182 1.951 3.805 0.205 9 0 "[ . 1 . 2]" 1
709 1 56 THR HB 1 58 VAL H 6.000 . 6.000 4.923 1.759 5.649 . 0 0 "[ . 1 . 2]" 1
710 1 56 THR HG1 1 57 LYS H 3.600 . 5.300 4.662 4.064 5.203 . 0 0 "[ . 1 . 2]" 1
711 1 56 THR HG1 1 90 TYR H 2.600 . 6.000 5.716 4.336 6.122 0.122 16 0 "[ . 1 . 2]" 1
712 1 57 LYS H 1 57 LYS QB 2.700 . 3.600 2.335 2.078 3.035 . 0 0 "[ . 1 . 2]" 1
713 1 57 LYS H 1 57 LYS HD2 4.800 . 6.000 4.745 1.865 5.931 0.035 15 0 "[ . 1 . 2]" 1
714 1 57 LYS H 1 57 LYS HD2 2.900 . 3.900 3.371 1.819 3.912 0.081 15 0 "[ . 1 . 2]" 1
715 1 57 LYS H 1 58 VAL H 5.200 . 6.000 4.516 3.723 4.654 . 0 0 "[ . 1 . 2]" 1
716 1 57 LYS HA 1 58 VAL H 2.600 . 3.500 2.352 2.238 2.747 . 0 0 "[ . 1 . 2]" 1
717 1 57 LYS HB2 1 58 VAL H 3.300 . 4.700 4.130 3.735 4.851 0.151 16 0 "[ . 1 . 2]" 1
718 1 57 LYS QE 1 58 VAL H 4.800 . 6.000 4.627 3.091 5.902 . 0 0 "[ . 1 . 2]" 1
719 1 58 VAL H 1 58 VAL HA 2.700 . 3.600 2.880 2.844 2.949 . 0 0 "[ . 1 . 2]" 1
720 1 58 VAL H 1 58 VAL HB 3.500 . 5.000 3.178 2.541 3.762 . 0 0 "[ . 1 . 2]" 1
721 1 58 VAL HA 1 59 HIS H 2.300 . 3.000 2.195 2.095 2.540 . 0 0 "[ . 1 . 2]" 1
722 1 58 VAL HB 1 60 ARG H 2.700 . 6.000 5.123 3.929 6.170 0.170 12 0 "[ . 1 . 2]" 1
723 1 59 HIS H 1 60 ARG H 6.000 . 6.000 3.944 3.231 4.197 . 0 0 "[ . 1 . 2]" 1
724 1 59 HIS H 1 62 THR HG1 4.400 . 6.000 5.943 5.314 6.295 0.295 10 0 "[ . 1 . 2]" 1
725 1 59 HIS HA 1 60 ARG H 2.500 . 3.300 2.247 2.166 2.757 . 0 0 "[ . 1 . 2]" 1
726 1 60 ARG H 1 60 ARG QD 3.700 . 5.400 3.099 1.913 4.432 0.087 1 0 "[ . 1 . 2]" 1
727 1 60 ARG H 1 60 ARG HG3 2.500 . 3.300 2.444 1.656 3.949 0.649 5 3 "[ + 1 - * 2]" 1
728 1 60 ARG H 1 61 LYS HG2 3.600 . 5.300 5.179 4.899 5.380 0.080 10 0 "[ . 1 . 2]" 1
729 1 60 ARG H 1 61 LYS QG 3.700 . 5.400 4.998 4.749 5.147 . 0 0 "[ . 1 . 2]" 1
730 1 60 ARG H 1 62 THR HG1 4.800 . 6.000 5.796 4.379 6.079 0.079 12 0 "[ . 1 . 2]" 1
731 1 60 ARG HA 1 61 LYS H 2.300 . 3.000 2.073 2.011 2.403 . 0 0 "[ . 1 . 2]" 1
732 1 60 ARG HA 1 62 THR H 4.500 . 6.000 4.276 3.756 5.012 . 0 0 "[ . 1 . 2]" 1
733 1 60 ARG QD 1 61 LYS H 4.300 . 6.000 4.151 3.117 5.191 . 0 0 "[ . 1 . 2]" 1
734 1 60 ARG QD 1 62 THR H 6.000 . 6.000 5.554 5.114 6.309 0.309 1 0 "[ . 1 . 2]" 1
735 1 60 ARG HG2 1 61 LYS H 4.600 . 6.000 5.368 4.085 5.935 . 0 0 "[ . 1 . 2]" 1
736 1 60 ARG HG3 1 61 LYS H 3.500 . 5.000 5.129 4.225 5.487 0.487 8 0 "[ . 1 . 2]" 1
737 1 61 LYS H 1 61 LYS HA 2.600 . 3.500 2.253 2.235 2.269 . 0 0 "[ . 1 . 2]" 1
738 1 61 LYS H 1 61 LYS QG 2.900 . 4.000 2.926 2.456 3.257 . 0 0 "[ . 1 . 2]" 1
739 1 61 LYS H 1 62 THR H 3.100 . 4.300 2.696 2.459 3.006 . 0 0 "[ . 1 . 2]" 1
740 1 61 LYS H 1 62 THR HB 5.200 . 6.000 6.127 5.934 6.218 0.218 16 0 "[ . 1 . 2]" 1
741 1 61 LYS H 1 62 THR HG1 6.000 . 6.000 5.154 4.435 6.150 0.150 1 0 "[ . 1 . 2]" 1
742 1 61 LYS HA 1 62 THR H 2.400 . 3.100 2.677 2.590 2.732 . 0 0 "[ . 1 . 2]" 1
743 1 61 LYS HG2 1 62 THR H 4.100 . 6.000 5.014 4.760 5.266 . 0 0 "[ . 1 . 2]" 1
744 1 62 THR H 1 62 THR HA 3.000 . 4.100 2.866 2.821 2.907 . 0 0 "[ . 1 . 2]" 1
745 1 62 THR H 1 62 THR HB 3.300 . 4.700 3.941 3.854 4.025 . 0 0 "[ . 1 . 2]" 1
746 1 62 THR H 1 62 THR HG1 2.900 . 3.900 3.089 2.412 3.888 . 0 0 "[ . 1 . 2]" 1
747 1 62 THR H 1 63 LEU H 4.300 . 6.000 3.945 3.731 4.116 . 0 0 "[ . 1 . 2]" 1
748 1 62 THR H 1 63 LEU HA 4.200 . 6.000 4.402 4.278 4.688 . 0 0 "[ . 1 . 2]" 1
749 1 62 THR H 1 63 LEU QB 6.000 . 6.000 5.485 4.761 5.858 . 0 0 "[ . 1 . 2]" 1
750 1 62 THR H 1 63 LEU QD 5.000 . 6.000 4.024 3.359 4.982 . 0 0 "[ . 1 . 2]" 1
751 1 62 THR H 1 64 ASN H 3.700 . 5.400 4.931 4.558 5.245 . 0 0 "[ . 1 . 2]" 1
752 1 62 THR H 1 65 PRO QG 4.600 . 6.000 5.266 4.193 5.839 . 0 0 "[ . 1 . 2]" 1
753 1 62 THR HA 1 63 LEU H 2.300 . 2.900 2.159 2.083 2.199 . 0 0 "[ . 1 . 2]" 1
754 1 62 THR HA 1 64 ASN H 3.100 . 4.300 3.342 3.009 3.529 . 0 0 "[ . 1 . 2]" 1
755 1 62 THR HB 1 63 LEU H 4.200 . 6.000 3.565 3.206 4.021 . 0 0 "[ . 1 . 2]" 1
756 1 62 THR HB 1 64 ASN H 4.900 . 6.000 2.928 2.007 4.029 . 0 0 "[ . 1 . 2]" 1
757 1 62 THR HG1 1 63 LEU H 3.100 . 4.300 4.135 3.868 4.501 0.201 10 0 "[ . 1 . 2]" 1
758 1 62 THR HG1 1 64 ASN H 2.800 . 3.800 3.327 2.950 3.661 . 0 0 "[ . 1 . 2]" 1
759 1 62 THR HG1 1 66 VAL H 2.000 . 6.000 5.674 4.868 6.093 0.093 11 0 "[ . 1 . 2]" 1
760 1 63 LEU H 1 63 LEU QB 2.600 . 3.400 2.367 2.051 2.641 . 0 0 "[ . 1 . 2]" 1
761 1 63 LEU H 1 63 LEU QD 4.600 . 6.000 2.672 1.878 3.800 0.122 19 0 "[ . 1 . 2]" 1
762 1 63 LEU H 1 63 LEU HG 3.300 . 4.500 3.552 1.933 4.680 0.180 1 0 "[ . 1 . 2]" 1
763 1 63 LEU H 1 64 ASN HA 6.000 . 6.000 5.057 4.971 5.290 . 0 0 "[ . 1 . 2]" 1
764 1 63 LEU HA 1 64 ASN H 3.500 . 5.100 3.295 3.172 3.392 . 0 0 "[ . 1 . 2]" 1
765 1 63 LEU QB 1 64 ASN H 3.600 . 5.200 3.259 2.886 3.509 . 0 0 "[ . 1 . 2]" 1
766 1 63 LEU QD 1 64 ASN H 4.000 . 6.000 4.042 3.725 4.414 . 0 0 "[ . 1 . 2]" 1
767 1 63 LEU QD 1 101 ILE H 4.400 . 6.000 7.256 5.285 8.199 2.199 19 15 "[ **-.** ** **** **+*]" 1
768 1 63 LEU HG 1 64 ASN H 3.900 . 5.800 5.134 4.029 5.809 0.009 16 0 "[ . 1 . 2]" 1
769 1 64 ASN H 1 64 ASN HB3 3.400 . 4.800 2.975 2.776 3.171 . 0 0 "[ . 1 . 2]" 1
770 1 64 ASN H 1 64 ASN HD21 5.200 . 6.000 4.503 4.380 4.678 . 0 0 "[ . 1 . 2]" 1
771 1 64 ASN H 1 64 ASN HD22 4.200 . 6.000 5.850 5.776 5.912 . 0 0 "[ . 1 . 2]" 1
772 1 64 ASN H 1 65 PRO HA 3.900 . 5.800 4.389 3.749 4.946 . 0 0 "[ . 1 . 2]" 1
773 1 64 ASN H 1 65 PRO HB3 4.200 . 6.000 3.872 3.251 4.226 . 0 0 "[ . 1 . 2]" 1
774 1 64 ASN H 1 65 PRO QG 4.200 . 6.000 4.274 3.371 4.770 . 0 0 "[ . 1 . 2]" 1
775 1 64 ASN HD21 1 66 VAL H 5.100 . 6.000 5.108 4.389 6.049 0.049 13 0 "[ . 1 . 2]" 1
776 1 65 PRO HA 1 66 VAL H 2.300 . 3.000 2.230 2.115 2.439 . 0 0 "[ . 1 . 2]" 1
777 1 65 PRO QG 1 66 VAL H 3.500 . 5.100 4.448 3.863 4.713 . 0 0 "[ . 1 . 2]" 1
778 1 65 PRO QG 1 67 PHE H 2.400 . 6.000 5.028 4.303 5.963 . 0 0 "[ . 1 . 2]" 1
779 1 66 VAL H 1 66 VAL HB 3.000 . 4.100 3.790 3.033 3.934 . 0 0 "[ . 1 . 2]" 1
780 1 66 VAL H 1 67 PHE H 4.300 . 6.000 4.029 3.898 4.176 . 0 0 "[ . 1 . 2]" 1
781 1 66 VAL H 1 67 PHE HB2 5.000 . 6.000 5.494 5.028 6.779 0.779 14 1 "[ . 1 +. 2]" 1
782 1 66 VAL HA 1 68 ASN H 5.400 . 6.000 3.828 3.461 4.542 . 0 0 "[ . 1 . 2]" 1
783 1 66 VAL HB 1 68 ASN H 6.000 . 6.000 4.246 3.739 4.733 . 0 0 "[ . 1 . 2]" 1
784 1 68 ASN H 1 68 ASN HA 2.400 . 3.100 2.258 2.189 2.295 . 0 0 "[ . 1 . 2]" 1
785 1 68 ASN H 1 68 ASN QB 3.400 . 4.800 3.123 2.883 3.417 . 0 0 "[ . 1 . 2]" 1
786 1 68 ASN H 1 69 GLU H 3.100 . 4.300 3.024 2.444 3.190 . 0 0 "[ . 1 . 2]" 1
787 1 68 ASN HA 1 69 GLU H 2.400 . 3.100 2.291 2.098 2.474 . 0 0 "[ . 1 . 2]" 1
788 1 68 ASN QB 1 69 GLU H 3.400 . 4.800 3.880 3.695 4.022 . 0 0 "[ . 1 . 2]" 1
789 1 68 ASN QB 1 70 GLN H 2.800 . 6.000 5.684 5.221 6.017 0.017 1 0 "[ . 1 . 2]" 1
790 1 68 ASN HD21 1 69 GLU H 5.700 . 6.000 5.165 3.441 6.235 0.235 6 0 "[ . 1 . 2]" 1
791 1 69 GLU H 1 69 GLU HA 3.000 . 4.100 2.924 2.823 2.987 . 0 0 "[ . 1 . 2]" 1
792 1 69 GLU H 1 69 GLU QG 4.000 . 6.000 3.786 2.431 4.241 . 0 0 "[ . 1 . 2]" 1
793 1 69 GLU H 1 70 GLN H 3.900 . 5.800 4.000 3.194 4.270 . 0 0 "[ . 1 . 2]" 1
794 1 69 GLU H 1 70 GLN HA 5.600 . 6.000 4.724 4.451 4.947 . 0 0 "[ . 1 . 2]" 1
795 1 69 GLU HA 1 70 GLN H 2.300 . 2.900 2.161 1.962 2.700 . 0 0 "[ . 1 . 2]" 1
796 1 69 GLU QB 1 70 GLN H 2.900 . 4.000 3.654 2.801 4.060 0.060 18 0 "[ . 1 . 2]" 1
797 1 69 GLU QG 1 70 GLN H 4.000 . 6.000 3.552 2.569 4.602 . 0 0 "[ . 1 . 2]" 1
798 1 70 GLN H 1 70 GLN HA 3.000 . 4.200 2.849 2.785 2.938 . 0 0 "[ . 1 . 2]" 1
799 1 70 GLN H 1 70 GLN QB 2.000 . 2.500 2.230 1.981 2.567 0.067 18 0 "[ . 1 . 2]" 1
800 1 70 GLN H 1 71 PHE H 6.000 . 6.000 4.339 3.895 4.502 . 0 0 "[ . 1 . 2]" 1
801 1 70 GLN HA 1 71 PHE H 2.400 . 3.100 2.152 1.990 2.360 . 0 0 "[ . 1 . 2]" 1
802 1 70 GLN HA 1 72 THR H 3.900 . 5.800 4.985 4.482 5.254 . 0 0 "[ . 1 . 2]" 1
803 1 70 GLN QB 1 72 THR H 3.200 . 4.500 4.130 3.768 4.624 0.124 12 0 "[ . 1 . 2]" 1
804 1 70 GLN QE 1 71 PHE H 4.000 . 6.000 2.961 1.962 4.099 0.038 19 0 "[ . 1 . 2]" 1
805 1 70 GLN QE 1 72 THR H 2.600 . 3.500 2.982 1.432 3.772 0.272 15 0 "[ . 1 . 2]" 1
806 1 71 PHE H 1 71 PHE HA 2.700 . 3.600 2.909 2.820 2.945 . 0 0 "[ . 1 . 2]" 1
807 1 71 PHE H 1 71 PHE HB2 2.800 . 3.800 2.847 2.448 3.700 . 0 0 "[ . 1 . 2]" 1
808 1 71 PHE H 1 72 THR H . . 4.500 3.949 3.726 4.166 . 0 0 "[ . 1 . 2]" 1
809 1 71 PHE HA 1 72 THR H 2.200 . 2.800 2.171 2.044 2.350 . 0 0 "[ . 1 . 2]" 1
810 1 71 PHE HB2 1 72 THR H 3.200 . 4.400 4.303 3.924 4.689 0.289 10 0 "[ . 1 . 2]" 1
811 1 72 THR H 1 72 THR HA 2.700 . 3.600 2.693 2.205 2.924 . 0 0 "[ . 1 . 2]" 1
812 1 72 THR H 1 72 THR HB 2.600 . 3.500 2.934 2.451 3.809 0.309 18 0 "[ . 1 . 2]" 1
813 1 72 THR H 1 72 THR HG1 3.000 . 4.100 2.746 1.875 4.288 0.188 20 0 "[ . 1 . 2]" 1
814 1 72 THR H 1 73 PHE H 5.500 . 6.000 4.235 3.160 4.592 . 0 0 "[ . 1 . 2]" 1
815 1 72 THR H 1 73 PHE HA 3.700 . 5.400 5.321 4.603 5.599 0.199 14 0 "[ . 1 . 2]" 1
816 1 72 THR HB 1 73 PHE H 3.600 . 5.200 4.033 3.273 4.561 . 0 0 "[ . 1 . 2]" 1
817 1 73 PHE H 1 73 PHE HA 2.800 . 3.800 2.905 2.780 2.946 . 0 0 "[ . 1 . 2]" 1
818 1 73 PHE H 1 73 PHE HB2 2.900 . 4.000 2.843 2.319 3.743 . 0 0 "[ . 1 . 2]" 1
819 1 73 PHE HA 1 75 VAL H 4.600 . 6.000 4.577 3.431 5.992 . 0 0 "[ . 1 . 2]" 1
820 1 74 LYS H 1 74 LYS QB 3.800 . 5.600 2.425 2.039 2.862 . 0 0 "[ . 1 . 2]" 1
821 1 74 LYS H 1 74 LYS HD2 3.900 . 5.800 4.610 1.403 6.165 0.597 2 1 "[ + . 1 . 2]" 1
822 1 74 LYS H 1 74 LYS QG 4.700 . 6.000 2.981 1.876 4.116 0.124 17 0 "[ . 1 . 2]" 1
823 1 74 LYS HA 1 75 VAL H 2.700 . 3.600 2.416 1.990 2.790 . 0 0 "[ . 1 . 2]" 1
824 1 74 LYS HB3 1 75 VAL H 3.200 . 4.500 4.240 2.037 4.566 0.066 17 0 "[ . 1 . 2]" 1
825 1 75 VAL H 1 75 VAL HA 2.600 . 3.500 2.901 2.852 2.941 . 0 0 "[ . 1 . 2]" 1
826 1 75 VAL H 1 75 VAL HB 2.700 . 3.600 3.282 2.742 3.717 0.117 8 0 "[ . 1 . 2]" 1
827 1 75 VAL H 1 76 PRO HA 3.700 . 5.400 4.838 4.518 5.884 0.484 5 0 "[ . 1 . 2]" 1
828 1 75 VAL H 1 76 PRO HD2 4.300 . 6.000 4.967 4.764 5.145 . 0 0 "[ . 1 . 2]" 1
829 1 75 VAL H 1 76 PRO HD3 4.100 . 6.000 4.094 3.833 4.853 . 0 0 "[ . 1 . 2]" 1
830 1 75 VAL HA 1 79 GLU H 3.900 . 5.800 5.820 5.537 6.015 0.215 5 0 "[ . 1 . 2]" 1
831 1 75 VAL HA 1 80 LEU H 4.900 . 6.000 5.903 5.524 6.142 0.142 1 0 "[ . 1 . 2]" 1
832 1 75 VAL HB 1 83 LYS H 4.600 . 6.000 6.471 6.004 10.915 4.915 5 3 "[* - + 1 . 2]" 1
833 1 76 PRO HA 1 78 SER H 4.100 . 6.000 4.291 4.063 4.497 . 0 0 "[ . 1 . 2]" 1
834 1 76 PRO HB2 1 77 TYR H 3.200 . 4.500 3.590 3.267 3.838 . 0 0 "[ . 1 . 2]" 1
835 1 76 PRO HB2 1 78 SER H 2.800 . 3.800 3.506 3.050 3.703 . 0 0 "[ . 1 . 2]" 1
836 1 76 PRO HB3 1 77 TYR H 3.100 . 4.300 2.980 2.426 3.212 . 0 0 "[ . 1 . 2]" 1
837 1 76 PRO HB3 1 79 GLU H 3.700 . 5.400 3.785 3.325 4.866 . 0 0 "[ . 1 . 2]" 1
838 1 76 PRO HD2 1 78 SER H 5.400 . 6.000 5.956 5.553 6.081 0.081 5 0 "[ . 1 . 2]" 1
839 1 76 PRO QG 1 77 TYR H 6.000 . 6.000 4.297 4.004 4.516 . 0 0 "[ . 1 . 2]" 1
840 1 76 PRO QG 1 79 GLU H 3.900 . 5.800 4.470 4.124 5.348 . 0 0 "[ . 1 . 2]" 1
841 1 77 TYR H 1 77 TYR HA 2.900 . 3.900 2.829 2.752 2.874 . 0 0 "[ . 1 . 2]" 1
842 1 77 TYR H 1 78 SER HB3 5.100 . 6.000 5.350 4.567 6.263 0.263 2 0 "[ . 1 . 2]" 1
843 1 77 TYR H 1 79 GLU H 3.700 . 5.400 3.865 3.600 4.385 . 0 0 "[ . 1 . 2]" 1
844 1 77 TYR H 1 80 LEU QB 5.300 . 6.000 4.239 3.659 4.516 . 0 0 "[ . 1 . 2]" 1
845 1 77 TYR H 1 80 LEU QD 6.000 . 6.000 4.763 3.537 5.392 . 0 0 "[ . 1 . 2]" 1
846 1 77 TYR HA 1 78 SER H 3.400 . 4.800 3.523 3.490 3.553 . 0 0 "[ . 1 . 2]" 1
847 1 77 TYR HA 1 79 GLU H 4.100 . 6.000 3.864 3.672 4.095 . 0 0 "[ . 1 . 2]" 1
848 1 77 TYR HA 1 80 LEU H 3.600 . 5.300 2.918 2.744 3.031 . 0 0 "[ . 1 . 2]" 1
849 1 78 SER H 1 78 SER HA 2.200 . 2.800 2.334 2.114 2.470 . 0 0 "[ . 1 . 2]" 1
850 1 78 SER H 1 78 SER QB 2.200 . 2.800 2.520 2.186 2.756 . 0 0 "[ . 1 . 2]" 1
851 1 78 SER H 1 79 GLU H 2.700 . 3.600 2.670 2.578 2.789 . 0 0 "[ . 1 . 2]" 1
852 1 78 SER H 1 79 GLU HA 4.300 . 6.000 5.305 5.236 5.378 . 0 0 "[ . 1 . 2]" 1
853 1 78 SER H 1 79 GLU HB2 2.800 . 6.000 4.743 4.367 5.550 . 0 0 "[ . 1 . 2]" 1
854 1 78 SER H 1 79 GLU HB3 4.300 . 6.000 5.304 4.773 5.663 . 0 0 "[ . 1 . 2]" 1
855 1 78 SER H 1 80 LEU H 3.900 . 5.800 3.844 3.756 3.913 . 0 0 "[ . 1 . 2]" 1
856 1 78 SER H 1 80 LEU QB 6.000 . 6.000 4.362 4.120 4.518 . 0 0 "[ . 1 . 2]" 1
857 1 78 SER HA 1 79 GLU H 3.100 . 4.300 2.835 2.582 3.083 . 0 0 "[ . 1 . 2]" 1
858 1 78 SER HA 1 80 LEU H 3.500 . 5.000 4.094 3.974 4.571 . 0 0 "[ . 1 . 2]" 1
859 1 78 SER QB 1 79 GLU H 3.000 . 4.100 3.033 2.646 3.463 . 0 0 "[ . 1 . 2]" 1
860 1 79 GLU H 1 79 GLU HA 2.500 . 3.300 2.898 2.888 2.926 . 0 0 "[ . 1 . 2]" 1
861 1 79 GLU H 1 79 GLU HB2 2.200 . 2.800 2.348 2.113 2.936 0.136 5 0 "[ . 1 . 2]" 1
862 1 79 GLU H 1 79 GLU HB3 2.500 . 3.300 3.045 2.266 3.337 0.037 4 0 "[ . 1 . 2]" 1
863 1 79 GLU H 1 80 LEU H 1.800 . 2.200 2.195 2.139 2.231 0.031 20 0 "[ . 1 . 2]" 1
864 1 79 GLU H 1 80 LEU HA 4.300 . 6.000 4.768 4.687 4.845 . 0 0 "[ . 1 . 2]" 1
865 1 79 GLU H 1 80 LEU QB 4.300 . 6.000 3.795 3.692 3.994 . 0 0 "[ . 1 . 2]" 1
866 1 79 GLU H 1 80 LEU QD 5.600 . 6.000 4.761 4.476 5.177 . 0 0 "[ . 1 . 2]" 1
867 1 79 GLU H 1 81 GLY HA3 5.100 . 6.000 6.086 6.035 6.119 0.119 16 0 "[ . 1 . 2]" 1
868 1 79 GLU HA 1 80 LEU H 3.200 . 4.400 3.388 3.343 3.464 . 0 0 "[ . 1 . 2]" 1
869 1 79 GLU HB2 1 80 LEU H 3.200 . 4.500 3.422 3.099 4.125 . 0 0 "[ . 1 . 2]" 1
870 1 79 GLU HB3 1 80 LEU H 3.200 . 4.500 3.416 2.814 3.678 . 0 0 "[ . 1 . 2]" 1
871 1 79 GLU HB3 1 80 LEU H 3.800 . 5.600 3.479 2.831 3.784 . 0 0 "[ . 1 . 2]" 1
872 1 80 LEU H 1 80 LEU HA 2.600 . 3.500 2.794 2.771 2.819 . 0 0 "[ . 1 . 2]" 1
873 1 80 LEU H 1 80 LEU QB 2.100 . 2.600 2.049 1.989 2.255 . 0 0 "[ . 1 . 2]" 1
874 1 80 LEU H 1 80 LEU QD 3.800 . 5.600 3.368 3.123 3.695 . 0 0 "[ . 1 . 2]" 1
875 1 80 LEU H 1 83 LYS H 3.700 . 5.400 5.196 4.928 5.460 0.060 5 0 "[ . 1 . 2]" 1
876 1 80 LEU H 1 108 MET QB 4.000 . 6.000 5.025 4.830 5.335 . 0 0 "[ . 1 . 2]" 1
877 1 80 LEU HA 1 83 LYS H 2.800 . 3.800 3.310 3.003 3.745 . 0 0 "[ . 1 . 2]" 1
878 1 80 LEU HA 1 108 MET H 5.400 . 6.000 5.959 5.623 6.154 0.154 1 0 "[ . 1 . 2]" 1
879 1 80 LEU QD 1 83 LYS H 5.500 . 6.000 4.503 3.300 5.091 . 0 0 "[ . 1 . 2]" 1
880 1 80 LEU QD 1 85 LEU H 3.500 . 6.000 5.583 3.692 5.839 . 0 0 "[ . 1 . 2]" 1
881 1 80 LEU QD 1 112 ASP H 5.600 . 6.000 4.714 2.290 5.303 . 0 0 "[ . 1 . 2]" 1
882 1 80 LEU HG 1 110 THR H 4.100 . 6.000 5.629 5.185 6.069 0.069 7 0 "[ . 1 . 2]" 1
883 1 81 GLY HA2 1 83 LYS H 3.300 . 4.600 4.334 3.957 4.721 0.121 8 0 "[ . 1 . 2]" 1
884 1 81 GLY HA2 1 109 ASN H 3.700 . 5.400 4.439 3.720 5.364 . 0 0 "[ . 1 . 2]" 1
885 1 82 GLY HA2 1 83 LYS H 3.100 . 4.300 3.505 3.387 3.585 . 0 0 "[ . 1 . 2]" 1
886 1 82 GLY HA3 1 83 LYS H 3.200 . 4.500 3.031 2.916 3.260 . 0 0 "[ . 1 . 2]" 1
887 1 83 LYS H 1 83 LYS HB2 2.900 . 3.900 2.590 2.179 3.661 . 0 0 "[ . 1 . 2]" 1
888 1 83 LYS H 1 83 LYS QB 2.300 . 3.000 2.506 2.157 2.992 . 0 0 "[ . 1 . 2]" 1
889 1 83 LYS H 1 83 LYS HB3 3.200 . 4.500 3.583 3.174 3.741 . 0 0 "[ . 1 . 2]" 1
890 1 83 LYS H 1 83 LYS HD2 3.100 . 4.300 3.542 1.962 4.591 0.291 5 0 "[ . 1 . 2]" 1
891 1 83 LYS H 1 83 LYS QG 2.700 . 3.600 2.677 1.912 3.774 0.174 3 0 "[ . 1 . 2]" 1
892 1 83 LYS H 1 84 THR H 4.100 . 6.000 4.583 4.513 4.689 . 0 0 "[ . 1 . 2]" 1
893 1 83 LYS H 1 108 MET H 4.700 . 6.000 5.130 4.651 5.391 . 0 0 "[ . 1 . 2]" 1
894 1 83 LYS H 1 108 MET QB 2.700 . 3.600 3.422 3.117 3.638 0.038 19 0 "[ . 1 . 2]" 1
895 1 83 LYS H 1 108 MET QG 3.300 . 4.700 3.989 1.893 4.642 0.107 1 0 "[ . 1 . 2]" 1
896 1 83 LYS H 1 109 ASN H 3.900 . 5.800 5.195 4.508 6.041 0.241 14 0 "[ . 1 . 2]" 1
897 1 83 LYS H 1 109 ASN QD 2.800 . 3.700 3.798 3.303 5.567 1.867 14 1 "[ . 1 +. 2]" 1
898 1 83 LYS HB3 1 84 THR H 3.700 . 3.800 2.939 2.666 3.623 . 0 0 "[ . 1 . 2]" 1
899 1 84 THR H 1 84 THR HA 3.000 . 4.100 2.946 2.894 2.980 . 0 0 "[ . 1 . 2]" 1
900 1 84 THR H 1 84 THR HB 3.400 . 4.900 3.615 2.519 3.931 . 0 0 "[ . 1 . 2]" 1
901 1 84 THR H 1 85 LEU H 4.700 . 6.000 4.313 3.951 4.493 . 0 0 "[ . 1 . 2]" 1
902 1 84 THR H 1 85 LEU HG 5.900 . 6.000 6.796 5.542 7.722 1.722 18 10 "[ *- * **1** . *+*2]" 1
903 1 84 THR H 1 107 PRO HA 4.700 . 6.000 4.828 4.352 5.592 . 0 0 "[ . 1 . 2]" 1
904 1 84 THR H 1 107 PRO QB 4.600 . 6.000 5.478 4.551 6.599 0.599 1 1 "[+ . 1 . 2]" 1
905 1 84 THR H 1 108 MET QG 3.200 . 4.500 4.078 3.545 4.600 0.100 1 0 "[ . 1 . 2]" 1
906 1 84 THR H 1 109 ASN H 6.000 . 6.000 6.177 5.497 7.647 1.647 1 3 "[+ . 1* . -]" 1
907 1 84 THR HA 1 85 LEU H 2.400 . 3.100 2.161 2.027 2.312 . 0 0 "[ . 1 . 2]" 1
908 1 84 THR HA 1 86 VAL H 5.000 . 6.000 5.798 5.158 6.094 0.094 11 0 "[ . 1 . 2]" 1
909 1 84 THR HA 1 108 MET H 2.200 . 2.800 1.975 1.653 2.845 0.045 1 0 "[ . 1 . 2]" 1
910 1 84 THR HA 1 109 ASN H 2.900 . 4.000 4.062 3.341 5.545 1.545 1 1 "[+ . 1 . 2]" 1
911 1 84 THR HG1 1 85 LEU H 2.700 . 3.600 3.800 3.140 4.707 1.107 3 2 "[ + . - . 2]" 1
912 1 84 THR HG1 1 86 VAL H 6.000 . 6.000 4.787 3.502 6.447 0.447 1 0 "[ . 1 . 2]" 1
913 1 84 THR HG1 1 108 MET H 3.100 . 6.000 4.911 3.111 5.535 . 0 0 "[ . 1 . 2]" 1
914 1 85 LEU H 1 85 LEU HB3 2.600 . 3.400 2.762 2.092 3.648 0.248 1 0 "[ . 1 . 2]" 1
915 1 85 LEU H 1 85 LEU QD 3.000 . 4.100 2.801 1.864 3.691 0.036 12 0 "[ . 1 . 2]" 1
916 1 85 LEU H 1 85 LEU HG 2.800 . 3.800 3.665 2.470 4.005 0.205 3 0 "[ . 1 . 2]" 1
917 1 85 LEU H 1 86 VAL H 3.900 . 5.800 4.382 4.099 4.526 . 0 0 "[ . 1 . 2]" 1
918 1 85 LEU H 1 86 VAL HA 5.800 . 6.000 5.227 5.070 5.557 . 0 0 "[ . 1 . 2]" 1
919 1 85 LEU H 1 105 LYS HA 4.700 . 6.000 5.792 5.316 6.956 0.956 18 1 "[ . 1 . + 2]" 1
920 1 85 LEU H 1 106 VAL H 3.000 . 4.100 3.866 3.651 4.336 0.236 18 0 "[ . 1 . 2]" 1
921 1 85 LEU H 1 107 PRO HA 3.300 . 4.700 2.552 2.140 3.088 . 0 0 "[ . 1 . 2]" 1
922 1 85 LEU H 1 107 PRO QB 4.700 . 6.000 4.389 4.029 4.878 . 0 0 "[ . 1 . 2]" 1
923 1 85 LEU H 1 107 PRO QD 3.400 . 4.800 4.727 3.855 4.918 0.118 1 0 "[ . 1 . 2]" 1
924 1 85 LEU H 1 108 MET H 3.600 . 5.200 2.744 2.324 3.234 . 0 0 "[ . 1 . 2]" 1
925 1 85 LEU H 1 108 MET QB 3.100 . 4.300 4.157 3.892 4.367 0.067 5 0 "[ . 1 . 2]" 1
926 1 85 LEU H 1 108 MET QG 3.700 . 5.400 2.965 1.992 5.082 0.008 19 0 "[ . 1 . 2]" 1
927 1 85 LEU HA 1 86 VAL H 2.300 . 3.000 2.100 2.025 2.173 . 0 0 "[ . 1 . 2]" 1
928 1 85 LEU HB3 1 86 VAL H 4.200 . 6.000 4.019 3.151 4.570 . 0 0 "[ . 1 . 2]" 1
929 1 85 LEU HB3 1 106 VAL H 5.200 . 5.200 4.228 2.711 5.250 0.050 12 0 "[ . 1 . 2]" 1
930 1 85 LEU QD 1 86 VAL H 3.300 . 4.700 3.407 2.194 4.242 . 0 0 "[ . 1 . 2]" 1
931 1 85 LEU QD 1 109 ASN H 3.400 . 6.000 5.556 4.823 6.001 0.001 11 0 "[ . 1 . 2]" 1
932 1 85 LEU QD 1 111 VAL H 2.000 . 6.000 5.449 4.738 5.873 . 0 0 "[ . 1 . 2]" 1
933 1 85 LEU HG 1 86 VAL H 3.000 . 4.100 3.795 3.279 4.165 0.065 1 0 "[ . 1 . 2]" 1
934 1 86 VAL H 1 87 MET H . . 4.100 4.319 4.227 4.529 0.429 1 0 "[ . 1 . 2]" 1
935 1 86 VAL H 1 87 MET HA 3.700 . 5.400 4.836 4.610 5.269 . 0 0 "[ . 1 . 2]" 1
936 1 86 VAL H 1 105 LYS HA 5.100 . 6.000 5.504 4.908 6.403 0.403 18 0 "[ . 1 . 2]" 1
937 1 86 VAL H 1 106 VAL H 4.700 . 6.000 5.087 4.587 5.845 . 0 0 "[ . 1 . 2]" 1
938 1 86 VAL HA 1 87 MET H 2.200 . 2.800 2.130 2.071 2.293 . 0 0 "[ . 1 . 2]" 1
939 1 86 VAL HA 1 104 PHE H 3.800 . 5.600 4.642 4.197 5.471 . 0 0 "[ . 1 . 2]" 1
940 1 86 VAL HA 1 106 VAL H 3.300 . 4.600 3.537 2.889 4.136 . 0 0 "[ . 1 . 2]" 1
941 1 86 VAL HB 1 87 MET H 2.400 . 3.100 2.951 2.616 3.122 0.022 8 0 "[ . 1 . 2]" 1
942 1 86 VAL HB 1 88 ALA H 4.200 . 6.000 5.786 5.370 6.097 0.097 18 0 "[ . 1 . 2]" 1
943 1 86 VAL HB 1 104 PHE H 3.200 . 4.500 4.685 4.407 4.937 0.437 13 0 "[ . 1 . 2]" 1
944 1 86 VAL HB 1 106 VAL H 2.800 . 6.000 5.644 4.989 6.133 0.133 18 0 "[ . 1 . 2]" 1
945 1 87 MET H 1 87 MET HA 3.000 . 4.100 2.940 2.928 2.953 . 0 0 "[ . 1 . 2]" 1
946 1 87 MET H 1 87 MET QB 2.400 . 3.100 2.591 2.433 2.910 . 0 0 "[ . 1 . 2]" 1
947 1 87 MET H 1 87 MET HG2 3.400 . 4.900 4.058 2.252 4.609 . 0 0 "[ . 1 . 2]" 1
948 1 87 MET H 1 87 MET HG3 3.600 . 5.200 3.797 2.438 4.850 . 0 0 "[ . 1 . 2]" 1
949 1 87 MET H 1 88 ALA H 5.100 . 6.000 4.408 4.169 4.479 . 0 0 "[ . 1 . 2]" 1
950 1 87 MET H 1 88 ALA MB 3.500 . 5.100 4.570 3.998 4.806 . 0 0 "[ . 1 . 2]" 1
951 1 87 MET H 1 104 PHE H 2.900 . 3.900 3.002 2.567 4.081 0.181 13 0 "[ . 1 . 2]" 1
952 1 87 MET H 1 104 PHE HB2 6.000 . 6.000 4.998 2.643 6.165 0.165 6 0 "[ . 1 . 2]" 1
953 1 87 MET H 1 105 LYS H 6.000 . 6.000 4.670 2.106 5.399 . 0 0 "[ . 1 . 2]" 1
954 1 87 MET H 1 105 LYS HA 3.600 . 5.200 3.809 3.061 4.711 . 0 0 "[ . 1 . 2]" 1
955 1 87 MET H 1 105 LYS QD 4.400 . 6.000 4.615 2.296 5.687 . 0 0 "[ . 1 . 2]" 1
956 1 87 MET H 1 106 VAL H 4.400 . 6.000 4.948 4.328 5.478 . 0 0 "[ . 1 . 2]" 1
957 1 87 MET HA 1 88 ALA H 2.200 . 2.800 2.351 2.167 2.600 . 0 0 "[ . 1 . 2]" 1
958 1 87 MET QB 1 88 ALA H 3.200 . 4.500 3.244 2.526 3.789 . 0 0 "[ . 1 . 2]" 1
959 1 87 MET QB 1 104 PHE H 4.200 . 6.000 3.545 2.545 4.740 . 0 0 "[ . 1 . 2]" 1
960 1 87 MET QB 1 105 LYS H 2.900 . 6.000 5.378 2.515 6.048 0.048 3 0 "[ . 1 . 2]" 1
961 1 87 MET HG2 1 88 ALA H 3.400 . 4.900 3.650 1.997 5.007 0.107 20 0 "[ . 1 . 2]" 1
962 1 87 MET HG3 1 88 ALA H 4.400 . 6.000 3.914 2.285 5.302 . 0 0 "[ . 1 . 2]" 1
963 1 88 ALA H 1 88 ALA HA 2.900 . 4.000 2.931 2.884 2.945 . 0 0 "[ . 1 . 2]" 1
964 1 88 ALA H 1 88 ALA MB 2.500 . 3.300 2.599 2.487 2.683 . 0 0 "[ . 1 . 2]" 1
965 1 88 ALA H 1 103 GLU HA 4.300 . 6.000 4.626 4.376 6.264 0.264 13 0 "[ . 1 . 2]" 1
966 1 88 ALA H 1 104 PHE H 3.500 . 5.000 4.959 4.653 5.978 0.978 13 1 "[ . 1 + . 2]" 1
967 1 88 ALA HA 1 89 VAL H 2.300 . 3.000 2.181 2.128 2.246 . 0 0 "[ . 1 . 2]" 1
968 1 88 ALA HA 1 104 PHE H 3.200 . 4.500 3.572 2.990 4.592 0.092 13 0 "[ . 1 . 2]" 1
969 1 88 ALA MB 1 89 VAL H 3.100 . 4.300 3.368 3.266 3.464 . 0 0 "[ . 1 . 2]" 1
970 1 88 ALA MB 1 91 ASP H 3.500 . 6.000 6.303 6.091 6.647 0.647 5 2 "[- + 1 . 2]" 1
971 1 88 ALA MB 1 100 ILE H 3.600 . 6.000 6.438 5.607 8.141 2.141 9 5 "[* * - +1 . * 2]" 1
972 1 88 ALA MB 1 103 GLU H 5.800 . 6.000 5.353 3.753 5.923 . 0 0 "[ . 1 . 2]" 1
973 1 88 ALA MB 1 104 PHE H 3.100 . 6.000 4.445 3.358 5.720 . 0 0 "[ . 1 . 2]" 1
974 1 89 VAL H 1 89 VAL HB 2.600 . 3.500 2.927 2.533 3.645 0.145 5 0 "[ . 1 . 2]" 1
975 1 89 VAL H 1 90 TYR H 3.300 . 4.700 4.389 4.324 4.511 . 0 0 "[ . 1 . 2]" 1
976 1 89 VAL H 1 101 ILE H 3.800 . 5.600 5.412 5.002 5.884 0.284 3 0 "[ . 1 . 2]" 1
977 1 89 VAL H 1 101 ILE QG 2.900 . 6.000 4.437 4.025 5.789 . 0 0 "[ . 1 . 2]" 1
978 1 89 VAL H 1 102 GLY HA3 4.500 . 6.000 4.562 3.936 5.081 . 0 0 "[ . 1 . 2]" 1
979 1 89 VAL H 1 103 GLU H 4.100 . 6.000 4.226 2.781 5.004 . 0 0 "[ . 1 . 2]" 1
980 1 89 VAL H 1 103 GLU HA 3.000 . 6.000 2.719 2.209 3.701 . 0 0 "[ . 1 . 2]" 1
981 1 89 VAL H 1 103 GLU QB 3.000 . 4.100 3.776 1.786 4.279 0.179 18 0 "[ . 1 . 2]" 1
982 1 89 VAL H 1 104 PHE H 3.300 . 4.600 4.711 4.283 4.948 0.348 13 0 "[ . 1 . 2]" 1
983 1 89 VAL HA 1 90 TYR H 2.100 . 2.600 2.085 1.995 2.176 . 0 0 "[ . 1 . 2]" 1
984 1 89 VAL HB 1 101 ILE H 5.200 . 6.000 4.610 3.820 6.155 0.155 7 0 "[ . 1 . 2]" 1
985 1 90 TYR H 1 90 TYR HB3 . . 3.100 2.717 2.288 3.664 0.564 9 1 "[ . +1 . 2]" 1
986 1 90 TYR H 1 91 ASP H 4.500 . 6.000 4.335 4.248 4.450 . 0 0 "[ . 1 . 2]" 1
987 1 90 TYR H 1 91 ASP HB2 3.700 . 5.400 5.629 5.496 5.811 0.411 20 0 "[ . 1 . 2]" 1
988 1 90 TYR H 1 101 ILE H 4.200 . 6.000 4.834 4.458 5.195 . 0 0 "[ . 1 . 2]" 1
989 1 90 TYR H 1 101 ILE QG 2.600 . 6.000 4.072 3.411 4.702 . 0 0 "[ . 1 . 2]" 1
990 1 90 TYR HA 1 91 ASP H 2.100 . 2.700 2.181 2.033 2.311 . 0 0 "[ . 1 . 2]" 1
991 1 90 TYR HA 1 92 PHE H 5.300 . 6.000 5.919 5.619 6.071 0.071 17 0 "[ . 1 . 2]" 1
992 1 90 TYR HA 1 101 ILE H 3.100 . 4.300 2.659 2.092 3.269 . 0 0 "[ . 1 . 2]" 1
993 1 91 ASP H 1 91 ASP HB2 2.600 . 3.400 2.552 2.341 2.849 . 0 0 "[ . 1 . 2]" 1
994 1 91 ASP H 1 93 ASP QB 3.000 . 6.000 5.919 5.637 6.386 0.386 3 0 "[ . 1 . 2]" 1
995 1 91 ASP H 1 99 ASP HB3 5.900 . 6.000 5.428 3.273 6.815 0.815 12 2 "[ . 1 + - 2]" 1
996 1 91 ASP H 1 100 ILE HA 3.100 . 4.300 2.826 1.836 3.942 0.064 12 0 "[ . 1 . 2]" 1
997 1 91 ASP H 1 100 ILE QG 3.700 . 5.400 4.382 3.851 5.155 . 0 0 "[ . 1 . 2]" 1
998 1 91 ASP H 1 101 ILE H 3.600 . 5.200 3.139 2.650 3.610 . 0 0 "[ . 1 . 2]" 1
999 1 91 ASP H 1 101 ILE QG 3.100 . 4.300 3.313 2.322 4.210 . 0 0 "[ . 1 . 2]" 1
1000 1 91 ASP HB3 1 93 ASP H 3.000 . 6.000 4.555 4.243 5.119 . 0 0 "[ . 1 . 2]" 1
1001 1 93 ASP H 1 94 ARG HB2 6.000 . 6.000 5.446 3.886 6.174 0.174 5 0 "[ . 1 . 2]" 1
1002 1 93 ASP H 1 96 SER H 6.000 . 6.000 5.734 5.090 6.076 0.076 20 0 "[ . 1 . 2]" 1
1003 1 93 ASP H 1 97 LYS HA 6.000 . 6.000 5.800 2.801 7.952 1.952 11 4 "[* - * 1+ . 2]" 1
1004 1 93 ASP HA 1 95 PHE H 5.300 . 6.000 4.296 4.080 4.495 . 0 0 "[ . 1 . 2]" 1
1005 1 93 ASP QB 1 94 ARG H 5.000 . 6.000 3.602 2.779 4.009 . 0 0 "[ . 1 . 2]" 1
1006 1 93 ASP QB 1 96 SER H 5.300 . 6.000 3.784 3.028 6.415 0.415 20 0 "[ . 1 . 2]" 1
1007 1 94 ARG H 1 94 ARG QG . . 3.000 2.773 2.549 3.690 0.690 5 1 "[ + 1 . 2]" 1
1008 1 95 PHE H 1 98 HIS H 6.000 . 6.000 5.885 4.760 7.571 1.571 11 1 "[ . 1+ . 2]" 1
1009 1 95 PHE HA 1 96 SER H 4.400 . 6.000 3.547 3.321 3.604 . 0 0 "[ . 1 . 2]" 1
1010 1 95 PHE HB2 1 96 SER H 5.700 . 6.000 3.269 1.954 3.722 . 0 0 "[ . 1 . 2]" 1
1011 1 96 SER H 1 97 LYS H 5.300 . 6.000 4.494 4.121 4.629 . 0 0 "[ . 1 . 2]" 1
1012 1 96 SER H 1 97 LYS QG 6.000 . 6.000 5.948 5.224 6.094 0.094 17 0 "[ . 1 . 2]" 1
1013 1 96 SER QB 1 97 LYS H 4.300 . 6.000 2.249 1.839 3.174 . 0 0 "[ . 1 . 2]" 1
1014 1 96 SER HB2 1 97 LYS H 2.500 . 3.300 2.300 1.848 3.786 0.486 13 0 "[ . 1 . 2]" 1
1015 1 97 LYS H 1 97 LYS HA 2.200 . 2.800 2.837 2.747 2.887 0.087 9 0 "[ . 1 . 2]" 1
1016 1 97 LYS H 1 97 LYS HB3 2.600 . 3.400 3.263 2.535 3.634 0.234 15 0 "[ . 1 . 2]" 1
1017 1 97 LYS H 1 97 LYS HG2 2.700 . 3.600 2.827 1.920 4.164 0.564 9 1 "[ . +1 . 2]" 1
1018 1 97 LYS HA 1 98 HIS H 2.800 . 3.800 2.134 2.009 2.474 . 0 0 "[ . 1 . 2]" 1
1019 1 98 HIS H 1 99 ASP H 6.000 . 6.000 4.362 4.066 4.524 . 0 0 "[ . 1 . 2]" 1
1020 1 100 ILE H 1 100 ILE HB 3.200 . 4.500 2.700 2.378 3.617 . 0 0 "[ . 1 . 2]" 1
1021 1 100 ILE H 1 100 ILE QG 3.000 . 4.100 2.961 1.848 4.026 0.052 10 0 "[ . 1 . 2]" 1
1022 1 100 ILE H 1 128 LYS H 5.500 . 6.000 4.924 3.077 6.029 0.029 13 0 "[ . 1 . 2]" 1
1023 1 100 ILE H 1 128 LYS HB3 5.100 . 6.000 5.207 3.560 6.895 0.895 6 1 "[ .+ 1 . 2]" 1
1024 1 100 ILE HA 1 101 ILE H 2.700 . 3.600 2.176 2.091 2.408 . 0 0 "[ . 1 . 2]" 1
1025 1 100 ILE HB 1 101 ILE H 4.700 . 6.000 4.045 2.722 4.528 . 0 0 "[ . 1 . 2]" 1
1026 1 100 ILE QG 1 101 ILE H 3.600 . 5.200 3.625 2.322 4.450 . 0 0 "[ . 1 . 2]" 1
1027 1 101 ILE H 1 101 ILE HB 3.100 . 4.300 3.415 2.503 3.652 . 0 0 "[ . 1 . 2]" 1
1028 1 101 ILE H 1 101 ILE QG 2.600 . 3.400 1.876 1.471 2.805 0.329 8 0 "[ . 1 . 2]" 1
1029 1 101 ILE H 1 102 GLY HA2 4.000 . 6.000 4.798 4.221 5.077 . 0 0 "[ . 1 . 2]" 1
1030 1 101 ILE H 1 126 ALA H 5.600 . 6.000 5.816 5.261 6.135 0.135 1 0 "[ . 1 . 2]" 1
1031 1 101 ILE QG 1 126 ALA H 3.800 . 6.000 5.774 5.210 7.348 1.348 1 3 "[+ - *1 . 2]" 1
1032 1 102 GLY HA2 1 103 GLU H 2.800 . 3.800 2.702 2.201 2.984 . 0 0 "[ . 1 . 2]" 1
1033 1 102 GLY HA2 1 124 GLN H 3.100 . 6.000 5.201 4.607 5.688 . 0 0 "[ . 1 . 2]" 1
1034 1 102 GLY HA2 1 126 ALA H 2.400 . 3.100 1.738 1.244 2.306 0.456 2 0 "[ . 1 . 2]" 1
1035 1 102 GLY HA2 1 127 GLU H 3.000 . 6.000 5.955 5.023 6.709 0.709 3 1 "[ + . 1 . 2]" 1
1036 1 102 GLY HA3 1 125 SER H 4.700 . 6.000 4.541 3.923 5.707 . 0 0 "[ . 1 . 2]" 1
1037 1 103 GLU H 1 103 GLU QB 2.700 . 3.600 2.976 2.678 3.254 . 0 0 "[ . 1 . 2]" 1
1038 1 103 GLU H 1 103 GLU QB 2.600 . 3.500 2.729 2.570 2.878 . 0 0 "[ . 1 . 2]" 1
1039 1 103 GLU H 1 104 PHE H 3.800 . 5.600 4.245 3.840 4.374 . 0 0 "[ . 1 . 2]" 1
1040 1 103 GLU H 1 123 LEU HA 3.100 . 4.300 3.916 3.261 4.477 0.177 13 0 "[ . 1 . 2]" 1
1041 1 103 GLU H 1 123 LEU QB 3.500 . 5.000 3.427 2.374 4.200 . 0 0 "[ . 1 . 2]" 1
1042 1 103 GLU H 1 123 LEU QD 3.400 . 4.800 3.472 2.252 4.759 . 0 0 "[ . 1 . 2]" 1
1043 1 103 GLU H 1 123 LEU HG 5.700 . 6.000 4.660 3.442 6.128 0.128 13 0 "[ . 1 . 2]" 1
1044 1 103 GLU H 1 124 GLN H 2.700 . 3.600 2.865 2.326 3.299 . 0 0 "[ . 1 . 2]" 1
1045 1 103 GLU H 1 124 GLN QB 4.200 . 6.000 3.031 2.639 3.983 . 0 0 "[ . 1 . 2]" 1
1046 1 103 GLU H 1 125 SER H 4.900 . 6.000 4.775 4.197 5.504 . 0 0 "[ . 1 . 2]" 1
1047 1 103 GLU H 1 126 ALA H 4.600 . 6.000 3.599 2.828 4.251 . 0 0 "[ . 1 . 2]" 1
1048 1 103 GLU H 1 126 ALA MB 3.700 . 5.400 3.639 2.692 4.297 . 0 0 "[ . 1 . 2]" 1
1049 1 103 GLU HA 1 104 PHE H 2.200 . 2.800 2.379 2.222 2.486 . 0 0 "[ . 1 . 2]" 1
1050 1 103 GLU QB 1 124 GLN H 4.100 . 6.000 4.645 2.960 5.316 . 0 0 "[ . 1 . 2]" 1
1051 1 103 GLU HB2 1 104 PHE H 2.500 . 3.300 2.327 1.821 2.821 . 0 0 "[ . 1 . 2]" 1
1052 1 103 GLU QG 1 104 PHE H 2.300 . 3.000 2.639 1.825 3.248 0.248 20 0 "[ . 1 . 2]" 1
1053 1 103 GLU QG 1 124 GLN H 3.700 . 5.400 4.579 3.659 5.245 . 0 0 "[ . 1 . 2]" 1
1054 1 103 GLU QG 1 126 ALA H 4.100 . 6.000 4.727 3.345 6.450 0.450 5 0 "[ . 1 . 2]" 1
1055 1 104 PHE H 1 104 PHE HA 2.600 . 3.400 2.898 2.640 2.965 . 0 0 "[ . 1 . 2]" 1
1056 1 104 PHE H 1 104 PHE HB2 3.400 . 4.900 3.461 3.047 4.047 . 0 0 "[ . 1 . 2]" 1
1057 1 104 PHE H 1 105 LYS H 4.400 . 6.000 4.223 3.680 4.593 . 0 0 "[ . 1 . 2]" 1
1058 1 104 PHE H 1 123 LEU QD 2.800 . 3.700 3.550 2.846 3.788 0.088 18 0 "[ . 1 . 2]" 1
1059 1 104 PHE H 1 124 GLN H 4.000 . 6.000 4.652 2.533 5.117 . 0 0 "[ . 1 . 2]" 1
1060 1 104 PHE H 1 124 GLN HB3 3.000 . 6.000 4.381 3.071 4.972 . 0 0 "[ . 1 . 2]" 1
1061 1 104 PHE H 1 124 GLN HE21 3.800 . 5.600 5.147 3.113 5.827 0.227 12 0 "[ . 1 . 2]" 1
1062 1 104 PHE H 1 124 GLN QG 3.600 . 5.200 4.467 3.101 5.164 . 0 0 "[ . 1 . 2]" 1
1063 1 104 PHE HA 1 105 LYS H 2.500 . 3.300 2.290 2.143 2.862 . 0 0 "[ . 1 . 2]" 1
1064 1 104 PHE HA 1 122 ASP H 4.400 . 6.000 6.475 5.853 7.971 1.971 13 4 "[* * - 1 + . 2]" 1
1065 1 105 LYS H 1 105 LYS HB2 2.800 . 3.800 2.681 1.810 3.530 . 0 0 "[ . 1 . 2]" 1
1066 1 105 LYS H 1 105 LYS HB3 3.100 . 4.300 3.332 2.599 3.854 . 0 0 "[ . 1 . 2]" 1
1067 1 105 LYS H 1 105 LYS HB3 3.000 . 4.100 3.083 2.507 3.695 . 0 0 "[ . 1 . 2]" 1
1068 1 105 LYS H 1 106 VAL H 4.600 . 6.000 4.229 3.787 4.415 . 0 0 "[ . 1 . 2]" 1
1069 1 105 LYS H 1 106 VAL HA 5.600 . 6.000 5.005 4.758 5.589 . 0 0 "[ . 1 . 2]" 1
1070 1 105 LYS H 1 124 GLN QB 5.300 . 6.000 4.546 3.497 5.888 . 0 0 "[ . 1 . 2]" 1
1071 1 105 LYS H 1 124 GLN HE21 3.500 . 5.000 4.454 3.256 5.131 0.131 18 0 "[ . 1 . 2]" 1
1072 1 105 LYS QD 1 106 VAL H 2.800 . 6.000 4.089 1.968 5.175 . 0 0 "[ . 1 . 2]" 1
1073 1 106 VAL H 1 106 VAL HB 2.700 . 3.600 3.188 2.842 3.827 0.227 18 0 "[ . 1 . 2]" 1
1074 1 106 VAL H 1 107 PRO HA 3.800 . 5.600 4.488 4.281 4.826 . 0 0 "[ . 1 . 2]" 1
1075 1 106 VAL H 1 107 PRO QB 3.700 . 5.400 5.059 4.441 5.322 . 0 0 "[ . 1 . 2]" 1
1076 1 106 VAL H 1 107 PRO HG2 4.900 . 6.000 6.037 5.407 6.310 0.310 3 0 "[ . 1 . 2]" 1
1077 1 107 PRO HA 1 110 THR H 2.700 . 6.000 4.664 4.163 5.115 . 0 0 "[ . 1 . 2]" 1
1078 1 107 PRO HA 1 111 VAL H 2.900 . 6.000 5.785 5.209 6.394 0.394 14 0 "[ . 1 . 2]" 1
1079 1 107 PRO QB 1 110 THR H 4.700 . 6.000 3.045 2.490 3.792 . 0 0 "[ . 1 . 2]" 1
1080 1 107 PRO QB 1 108 MET H 2.700 . 3.600 3.201 3.024 3.368 . 0 0 "[ . 1 . 2]" 1
1081 1 107 PRO QB 1 109 ASN H 2.800 . 3.800 2.768 2.314 3.346 . 0 0 "[ . 1 . 2]" 1
1082 1 107 PRO QB 1 110 THR H 2.900 . 4.000 3.076 2.502 3.857 . 0 0 "[ . 1 . 2]" 1
1083 1 107 PRO HD2 1 108 MET H 5.700 . 6.000 5.505 5.070 5.687 . 0 0 "[ . 1 . 2]" 1
1084 1 107 PRO HG2 1 108 MET H 3.400 . 4.800 4.923 4.867 5.054 0.254 18 0 "[ . 1 . 2]" 1
1085 1 107 PRO HG2 1 109 ASN H 4.100 . 6.000 4.543 4.176 5.086 . 0 0 "[ . 1 . 2]" 1
1086 1 107 PRO HG2 1 110 THR H 4.800 . 6.000 3.469 3.081 4.474 . 0 0 "[ . 1 . 2]" 1
1087 1 107 PRO HG2 1 111 VAL H 3.100 . 6.000 4.852 4.111 5.758 . 0 0 "[ . 1 . 2]" 1
1088 1 107 PRO HG3 1 110 THR H 2.700 . 6.000 4.958 4.505 5.585 . 0 0 "[ . 1 . 2]" 1
1089 1 108 MET H 1 108 MET HA 2.900 . 3.900 2.783 2.719 2.827 . 0 0 "[ . 1 . 2]" 1
1090 1 108 MET H 1 108 MET QG 2.400 . 3.100 2.367 2.000 2.914 . 0 0 "[ . 1 . 2]" 1
1091 1 108 MET H 1 109 ASN H 2.700 . 3.600 2.531 2.341 2.894 . 0 0 "[ . 1 . 2]" 1
1092 1 108 MET H 1 110 THR H 5.300 . 6.000 4.178 3.808 4.425 . 0 0 "[ . 1 . 2]" 1
1093 1 108 MET H 1 110 THR HG1 4.300 . 6.000 5.481 4.630 6.078 0.078 16 0 "[ . 1 . 2]" 1
1094 1 108 MET H 1 111 VAL H 4.500 . 6.000 5.000 4.589 5.462 . 0 0 "[ . 1 . 2]" 1
1095 1 108 MET HA 1 109 ASN H 3.000 . 4.100 3.415 3.352 3.528 . 0 0 "[ . 1 . 2]" 1
1096 1 108 MET QB 1 109 ASN H 4.200 . 6.000 2.945 2.686 3.376 . 0 0 "[ . 1 . 2]" 1
1097 1 108 MET QG 1 109 ASN H 3.400 . 4.800 3.775 2.313 4.276 . 0 0 "[ . 1 . 2]" 1
1098 1 109 ASN H 1 109 ASN HA 2.300 . 3.000 2.841 2.785 2.884 . 0 0 "[ . 1 . 2]" 1
1099 1 109 ASN H 1 109 ASN QB 2.400 . 3.100 2.730 2.108 2.943 . 0 0 "[ . 1 . 2]" 1
1100 1 109 ASN H 1 109 ASN QD 3.700 . 5.400 2.520 2.249 3.913 . 0 0 "[ . 1 . 2]" 1
1101 1 109 ASN H 1 110 THR H 2.600 . 3.400 2.566 2.428 2.688 . 0 0 "[ . 1 . 2]" 1
1102 1 109 ASN H 1 110 THR HA 3.900 . 5.800 4.713 4.421 5.023 . 0 0 "[ . 1 . 2]" 1
1103 1 109 ASN H 1 110 THR HG1 3.600 . 5.200 4.267 3.838 5.177 . 0 0 "[ . 1 . 2]" 1
1104 1 109 ASN H 1 111 VAL H 3.900 . 4.900 4.002 3.725 4.445 . 0 0 "[ . 1 . 2]" 1
1105 1 109 ASN HA 1 110 THR H 3.000 . 4.100 3.434 3.319 3.528 . 0 0 "[ . 1 . 2]" 1
1106 1 109 ASN HA 1 111 VAL H 3.600 . 5.200 4.213 3.477 4.820 . 0 0 "[ . 1 . 2]" 1
1107 1 109 ASN QB 1 110 THR H 3.700 . 5.400 3.330 2.696 3.658 . 0 0 "[ . 1 . 2]" 1
1108 1 110 THR H 1 110 THR HA 2.600 . 3.400 2.627 2.395 2.847 . 0 0 "[ . 1 . 2]" 1
1109 1 110 THR H 1 110 THR HG1 2.400 . 3.100 2.345 1.860 2.930 . 0 0 "[ . 1 . 2]" 1
1110 1 110 THR H 1 111 VAL H 2.200 . 2.800 2.190 2.046 2.723 . 0 0 "[ . 1 . 2]" 1
1111 1 110 THR H 1 111 VAL HA 4.100 . 6.000 4.783 3.813 4.979 . 0 0 "[ . 1 . 2]" 1
1112 1 110 THR H 1 111 VAL HB 4.300 . 6.000 4.596 4.224 4.963 . 0 0 "[ . 1 . 2]" 1
1113 1 110 THR H 1 112 ASP H 6.000 . 6.000 6.144 5.679 6.421 0.421 5 0 "[ . 1 . 2]" 1
1114 1 110 THR HA 1 111 VAL H 2.700 . 3.600 3.028 2.680 3.278 . 0 0 "[ . 1 . 2]" 1
1115 1 110 THR HG1 1 111 VAL H 3.600 . 5.200 3.436 2.108 4.512 . 0 0 "[ . 1 . 2]" 1
1116 1 111 VAL H 1 111 VAL HA 2.600 . 3.400 2.892 2.674 2.932 . 0 0 "[ . 1 . 2]" 1
1117 1 111 VAL H 1 111 VAL HB 2.400 . 3.100 2.671 2.475 2.918 . 0 0 "[ . 1 . 2]" 1
1118 1 111 VAL H 1 112 ASP H 5.500 . 6.000 4.339 4.297 4.420 . 0 0 "[ . 1 . 2]" 1
1119 1 111 VAL HA 1 112 ASP H 2.700 . 3.600 2.124 1.941 2.217 . 0 0 "[ . 1 . 2]" 1
1120 1 112 ASP H 1 112 ASP HA 2.400 . 3.100 2.880 2.767 2.903 . 0 0 "[ . 1 . 2]" 1
1121 1 112 ASP H 1 112 ASP HB2 2.900 . 4.000 2.890 2.390 3.705 . 0 0 "[ . 1 . 2]" 1
1122 1 112 ASP H 1 112 ASP HB3 3.400 . 4.800 2.851 2.346 3.660 . 0 0 "[ . 1 . 2]" 1
1123 1 112 ASP HA 1 113 PHE H 2.000 . 2.500 2.148 2.073 2.256 . 0 0 "[ . 1 . 2]" 1
1124 1 112 ASP HB2 1 113 PHE H 3.900 . 5.800 4.157 3.518 4.533 . 0 0 "[ . 1 . 2]" 1
1125 1 112 ASP HB3 1 113 PHE H 3.900 . 5.800 4.146 2.806 4.489 . 0 0 "[ . 1 . 2]" 1
1126 1 113 PHE H 1 113 PHE HB2 2.600 . 3.400 2.572 2.226 3.559 0.159 15 0 "[ . 1 . 2]" 1
1127 1 113 PHE H 1 115 HIS H 5.000 . 6.000 5.742 4.233 6.037 0.037 20 0 "[ . 1 . 2]" 1
1128 1 113 PHE HA 1 115 HIS H 3.100 . 4.300 3.743 2.595 4.107 . 0 0 "[ . 1 . 2]" 1
1129 1 113 PHE HA 1 116 VAL H 2.700 . 6.000 5.892 3.456 6.244 0.244 7 0 "[ . 1 . 2]" 1
1130 1 113 PHE HA 1 117 THR H 3.000 . 6.000 5.129 4.303 6.217 0.217 3 0 "[ . 1 . 2]" 1
1131 1 114 GLY HA2 1 115 HIS H 3.400 . 4.900 3.531 3.325 3.603 . 0 0 "[ . 1 . 2]" 1
1132 1 114 GLY HA3 1 115 HIS H 2.900 . 3.900 2.676 2.571 2.937 . 0 0 "[ . 1 . 2]" 1
1133 1 115 HIS H 1 115 HIS HA 2.800 . 3.800 2.927 2.889 2.951 . 0 0 "[ . 1 . 2]" 1
1134 1 115 HIS H 1 116 VAL H 3.000 . 4.100 3.416 3.007 3.908 . 0 0 "[ . 1 . 2]" 1
1135 1 115 HIS HA 1 116 VAL H 2.800 . 3.700 3.391 3.168 3.695 . 0 0 "[ . 1 . 2]" 1
1136 1 115 HIS HB2 1 116 VAL H 2.800 . 3.800 2.268 1.531 3.621 0.269 18 0 "[ . 1 . 2]" 1
1137 1 116 VAL H 1 116 VAL HA 2.800 . 3.800 2.939 2.906 2.952 . 0 0 "[ . 1 . 2]" 1
1138 1 116 VAL H 1 116 VAL HB 2.800 . 3.800 3.291 2.645 3.849 0.049 7 0 "[ . 1 . 2]" 1
1139 1 116 VAL H 1 117 THR HA 2.800 . 6.000 4.954 4.721 5.741 . 0 0 "[ . 1 . 2]" 1
1140 1 116 VAL HA 1 117 THR H 2.000 . 2.500 2.153 1.911 2.198 . 0 0 "[ . 1 . 2]" 1
1141 1 116 VAL HB 1 117 THR H 3.600 . 5.200 3.850 3.221 4.432 . 0 0 "[ . 1 . 2]" 1
1142 1 117 THR H 1 117 THR HA 2.700 . 3.600 2.906 2.738 2.929 . 0 0 "[ . 1 . 2]" 1
1143 1 117 THR H 1 117 THR HB 2.200 . 2.800 2.488 2.409 2.768 . 0 0 "[ . 1 . 2]" 1
1144 1 117 THR H 1 117 THR HG1 2.900 . 3.900 3.211 2.436 3.958 0.058 3 0 "[ . 1 . 2]" 1
1145 1 117 THR H 1 118 GLU H 4.700 . 6.000 4.292 4.094 4.520 . 0 0 "[ . 1 . 2]" 1
1146 1 117 THR H 1 118 GLU HA 6.000 . 6.000 5.109 4.817 5.302 . 0 0 "[ . 1 . 2]" 1
1147 1 117 THR H 1 118 GLU QG 3.400 . 4.900 4.431 3.987 5.729 0.829 3 1 "[ + . 1 . 2]" 1
1148 1 117 THR HA 1 118 GLU H 1.900 . 2.400 2.159 2.068 2.688 0.288 3 0 "[ . 1 . 2]" 1
1149 1 117 THR HB 1 118 GLU H 3.900 . 5.800 4.305 3.549 4.449 . 0 0 "[ . 1 . 2]" 1
1150 1 117 THR HG1 1 118 GLU H 3.300 . 4.600 4.163 2.285 4.449 . 0 0 "[ . 1 . 2]" 1
1151 1 118 GLU H 1 118 GLU QB 2.500 . 3.300 2.811 2.495 3.248 . 0 0 "[ . 1 . 2]" 1
1152 1 118 GLU H 1 118 GLU QG 2.600 . 3.500 2.430 1.590 2.972 0.110 3 0 "[ . 1 . 2]" 1
1153 1 118 GLU H 1 119 GLU H 6.000 . 6.000 4.245 4.089 4.601 . 0 0 "[ . 1 . 2]" 1
1154 1 118 GLU H 1 119 GLU QB 4.900 . 6.000 4.452 4.099 5.750 . 0 0 "[ . 1 . 2]" 1
1155 1 118 GLU HA 1 119 GLU H 2.600 . 3.500 2.157 1.934 2.517 . 0 0 "[ . 1 . 2]" 1
1156 1 118 GLU HA 1 120 TRP H 4.600 . 6.000 6.159 6.002 6.211 0.211 4 0 "[ . 1 . 2]" 1
1157 1 118 GLU QB 1 119 GLU H 3.500 . 5.100 3.407 2.876 3.538 . 0 0 "[ . 1 . 2]" 1
1158 1 118 GLU HB3 1 119 GLU H 2.900 . 4.000 3.792 3.224 4.213 0.213 15 0 "[ . 1 . 2]" 1
1159 1 119 GLU H 1 119 GLU QB 3.000 . 4.100 3.264 2.664 3.392 . 0 0 "[ . 1 . 2]" 1
1160 1 119 GLU H 1 119 GLU QG . . 2.800 2.584 2.143 3.059 0.259 3 0 "[ . 1 . 2]" 1
1161 1 119 GLU H 1 120 TRP HH2 4.500 . 6.000 4.452 3.948 5.306 . 0 0 "[ . 1 . 2]" 1
1162 1 119 GLU H 1 121 ARG QB 2.900 . 5.200 4.886 4.278 5.062 . 0 0 "[ . 1 . 2]" 1
1163 1 119 GLU HA 1 120 TRP H 3.200 . 4.400 2.281 2.156 2.496 . 0 0 "[ . 1 . 2]" 1
1164 1 119 GLU QB 1 120 TRP H . . 2.200 2.331 1.871 2.641 0.441 5 0 "[ . 1 . 2]" 1
1165 1 119 GLU QG 1 120 TRP H 3.000 . 4.100 3.800 3.542 4.188 0.088 14 0 "[ . 1 . 2]" 1
1166 1 119 GLU QG 1 121 ARG H 3.900 . 5.800 4.407 3.726 6.714 0.914 3 1 "[ + . 1 . 2]" 1
1167 1 120 TRP H 1 120 TRP QB 2.800 . 3.800 2.605 2.481 2.703 . 0 0 "[ . 1 . 2]" 1
1168 1 120 TRP H 1 121 ARG H 4.000 . 5.800 4.270 4.064 4.354 . 0 0 "[ . 1 . 2]" 1
1169 1 120 TRP HA 1 121 ARG H 2.200 . 2.800 2.183 2.095 2.382 . 0 0 "[ . 1 . 2]" 1
1170 1 120 TRP QB 1 121 ARG H 3.300 . 4.700 3.540 3.453 3.768 . 0 0 "[ . 1 . 2]" 1
1171 1 121 ARG H 1 121 ARG HA 2.900 . 3.900 2.931 2.737 2.962 . 0 0 "[ . 1 . 2]" 1
1172 1 121 ARG H 1 121 ARG QB 2.200 . 2.800 2.318 1.730 2.449 0.070 20 0 "[ . 1 . 2]" 1
1173 1 121 ARG HA 1 122 ASP H 2.500 . 2.900 2.306 2.173 2.401 . 0 0 "[ . 1 . 2]" 1
1174 1 121 ARG QB 1 122 ASP H 3.100 . 4.300 3.543 3.063 3.894 . 0 0 "[ . 1 . 2]" 1
1175 1 121 ARG HD2 1 122 ASP H 2.900 . 3.900 3.489 2.951 4.483 0.583 13 1 "[ . 1 + . 2]" 1
1176 1 121 ARG HG2 1 122 ASP H 3.400 . 4.800 4.090 3.682 4.646 . 0 0 "[ . 1 . 2]" 1
1177 1 121 ARG HG3 1 122 ASP H 4.600 . 6.000 2.854 1.939 5.751 . 0 0 "[ . 1 . 2]" 1
1178 1 122 ASP H 1 122 ASP HA 2.700 . 3.600 2.917 2.892 2.952 . 0 0 "[ . 1 . 2]" 1
1179 1 122 ASP H 1 122 ASP HB2 2.900 . 4.000 3.259 2.456 3.741 . 0 0 "[ . 1 . 2]" 1
1180 1 122 ASP H 1 122 ASP HB3 2.500 . 3.300 2.969 2.255 3.672 0.372 8 0 "[ . 1 . 2]" 1
1181 1 122 ASP H 1 123 LEU H 3.800 . 5.600 4.412 4.296 4.508 . 0 0 "[ . 1 . 2]" 1
1182 1 122 ASP H 1 123 LEU HA 6.000 . 6.000 5.009 4.646 5.278 . 0 0 "[ . 1 . 2]" 1
1183 1 122 ASP H 1 124 GLN QB 4.000 . 6.000 5.610 4.027 5.958 . 0 0 "[ . 1 . 2]" 1
1184 1 122 ASP HA 1 123 LEU H 2.400 . 3.100 2.141 2.015 2.261 . 0 0 "[ . 1 . 2]" 1
1185 1 122 ASP HB2 1 123 LEU H 3.900 . 5.800 3.524 2.942 4.220 . 0 0 "[ . 1 . 2]" 1
1186 1 122 ASP HB3 1 123 LEU H 3.500 . 5.000 3.896 3.104 4.319 . 0 0 "[ . 1 . 2]" 1
1187 1 123 LEU H 1 123 LEU HA 2.400 . 3.100 2.908 2.863 2.971 . 0 0 "[ . 1 . 2]" 1
1188 1 123 LEU H 1 123 LEU QB 2.900 . 3.900 2.257 2.104 2.608 . 0 0 "[ . 1 . 2]" 1
1189 1 123 LEU H 1 123 LEU QD 3.000 . 4.100 2.885 1.851 3.564 0.049 13 0 "[ . 1 . 2]" 1
1190 1 123 LEU HA 1 124 GLN H 2.300 . 2.900 2.179 2.072 2.352 . 0 0 "[ . 1 . 2]" 1
1191 1 123 LEU QD 1 124 GLN H 3.200 . 4.500 3.171 2.255 3.787 . 0 0 "[ . 1 . 2]" 1
1192 1 124 GLN H 1 124 GLN HA 2.700 . 3.600 2.903 2.856 2.925 . 0 0 "[ . 1 . 2]" 1
1193 1 124 GLN H 1 124 GLN QB 2.500 . 3.300 2.121 1.855 2.313 . 0 0 "[ . 1 . 2]" 1
1194 1 124 GLN H 1 124 GLN HE21 4.200 . 6.000 3.805 1.946 5.088 0.054 14 0 "[ . 1 . 2]" 1
1195 1 124 GLN H 1 124 GLN QG 2.900 . 3.900 2.299 1.883 3.039 0.017 9 0 "[ . 1 . 2]" 1
1196 1 124 GLN H 1 125 SER H 4.600 . 5.800 4.425 4.285 4.541 . 0 0 "[ . 1 . 2]" 1
1197 1 124 GLN H 1 126 ALA H 4.100 . 6.000 5.659 4.617 6.024 0.024 4 0 "[ . 1 . 2]" 1
1198 1 124 GLN HA 1 125 SER H 2.100 . 2.600 2.177 1.982 2.243 . 0 0 "[ . 1 . 2]" 1
1199 1 124 GLN HA 1 126 ALA H 2.400 . 6.000 5.628 5.102 5.911 . 0 0 "[ . 1 . 2]" 1
1200 1 124 GLN QB 1 125 SER H 2.400 . 3.100 2.824 2.589 2.977 . 0 0 "[ . 1 . 2]" 1
1201 1 124 GLN HB2 1 125 SER H 2.400 . 3.100 3.069 2.706 3.863 0.763 13 1 "[ . 1 + . 2]" 1
1202 1 124 GLN HE21 1 125 SER H 4.500 . 6.000 5.927 5.281 6.255 0.255 12 0 "[ . 1 . 2]" 1
1203 1 124 GLN QG 1 125 SER H 3.000 . 4.100 3.722 3.020 3.953 . 0 0 "[ . 1 . 2]" 1
1204 1 124 GLN QG 1 126 ALA H 4.200 . 6.000 4.287 3.479 5.897 . 0 0 "[ . 1 . 2]" 1
1205 1 125 SER H 1 125 SER HA 2.400 . 3.100 2.811 2.664 2.874 . 0 0 "[ . 1 . 2]" 1
1206 1 125 SER H 1 125 SER QB 2.200 . 2.800 2.397 2.190 2.724 . 0 0 "[ . 1 . 2]" 1
1207 1 125 SER HA 1 126 ALA H 2.000 . 2.500 2.168 2.109 2.244 . 0 0 "[ . 1 . 2]" 1
1208 1 126 ALA H 1 126 ALA MB 2.400 . 3.100 2.320 2.268 2.380 . 0 0 "[ . 1 . 2]" 1
1209 1 126 ALA H 1 127 GLU H 3.500 . 5.100 4.462 4.364 4.510 . 0 0 "[ . 1 . 2]" 1
1210 1 126 ALA MB 1 128 LYS H 3.800 . 5.600 3.702 3.401 4.035 . 0 0 "[ . 1 . 2]" 1
1211 1 127 GLU H 1 127 GLU HA 2.500 . 3.300 2.932 2.915 2.946 . 0 0 "[ . 1 . 2]" 1
1212 1 127 GLU H 1 127 GLU HB2 2.900 . 3.900 2.769 2.500 3.790 . 0 0 "[ . 1 . 2]" 1
1213 1 127 GLU H 1 127 GLU QG 3.000 . 4.100 3.213 2.099 4.101 0.001 3 0 "[ . 1 . 2]" 1
1214 1 127 GLU H 1 128 LYS H 4.800 . 6.000 3.812 3.535 3.926 . 0 0 "[ . 1 . 2]" 1
1215 1 127 GLU H 1 128 LYS HB2 3.700 . 5.500 4.785 4.137 6.269 0.769 6 1 "[ .+ 1 . 2]" 1
1216 1 127 GLU HA 1 128 LYS H 2.600 . 3.400 2.274 2.215 2.361 . 0 0 "[ . 1 . 2]" 1
1217 1 127 GLU HB3 1 128 LYS H 3.800 . 5.600 4.298 4.023 4.595 . 0 0 "[ . 1 . 2]" 1
1218 1 127 GLU QG 1 128 LYS H 2.900 . 6.000 4.241 3.616 4.917 . 0 0 "[ . 1 . 2]" 1
1219 1 128 LYS H 1 128 LYS HA 2.800 . 3.800 2.941 2.924 2.951 . 0 0 "[ . 1 . 2]" 1
1220 1 128 LYS H 1 128 LYS HB2 3.200 . 4.500 2.768 2.443 3.660 . 0 0 "[ . 1 . 2]" 1
1221 1 128 LYS H 1 128 LYS HB3 3.500 . 5.100 3.034 2.520 3.843 . 0 0 "[ . 1 . 2]" 1
1222 1 128 LYS H 1 128 LYS QG 3.500 . 5.000 3.682 2.048 4.189 . 0 0 "[ . 1 . 2]" 1
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