NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618460 |
5lsd   |
34037 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lsd
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 3363
_Distance_constraint_stats_list.Viol_count 3238
_Distance_constraint_stats_list.Viol_total 22289.736
_Distance_constraint_stats_list.Viol_max 5.044
_Distance_constraint_stats_list.Viol_rms 0.1292
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0166
_Distance_constraint_stats_list.Viol_average_violations_only 0.3442
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.545 0.279 19 0 "[ . 1 . 2]"
1 4 HIS 13.927 3.038 11 7 "[ **. -*1+ . * *]"
1 5 PRO 9.501 0.491 16 0 "[ . 1 . 2]"
1 6 VAL 21.943 2.634 5 6 "[**- + *1* . 2]"
1 7 PHE 20.329 3.038 11 9 "[ *** **-+ . * *]"
1 8 HIS 0.975 0.500 19 0 "[ . 1 . 2]"
1 9 MET 14.628 1.669 15 7 "[-* .** 1 **+ 2]"
1 10 GLY 0.301 0.301 7 0 "[ . 1 . 2]"
1 11 GLU 4.732 0.811 1 4 "[+ * 1 . - *]"
1 12 PHE 17.511 2.634 5 7 "[* * + *-* *. 2]"
1 13 SER 4.300 1.690 9 2 "[ . +1 . -]"
1 14 VAL 3.513 0.603 18 2 "[ . 1 . +-2]"
1 15 CYS 0.546 0.546 14 1 "[ . 1 +. 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 13.897 1.640 15 6 "[ *- . *1* + * 2]"
1 19 SER 0.142 0.058 1 0 "[ . 1 . 2]"
1 20 VAL 9.424 0.594 4 1 "[ +. 1 . 2]"
1 21 TRP 15.227 1.806 15 6 "[ * ***- 1 + 2]"
1 22 VAL 4.811 0.866 17 1 "[ . 1 . + 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 1.688 0.645 17 1 "[ . 1 . + 2]"
1 25 LYS 10.773 2.274 14 4 "[ . 1* +. ** 2]"
1 26 THR 3.467 0.832 7 2 "[ . + 1 -. 2]"
1 27 THR 4.310 0.832 7 2 "[ . + 1 -. 2]"
1 28 ALA 5.341 0.227 2 0 "[ . 1 . 2]"
1 29 THR 0.002 0.002 15 0 "[ . 1 . 2]"
1 30 ASP 5.312 0.467 6 0 "[ . 1 . 2]"
1 31 ILE 13.662 1.824 15 6 "[ * -** * 1 + 2]"
1 32 LYS 5.082 0.808 3 5 "[* + . 1- * * 2]"
1 33 GLY 0.049 0.048 4 0 "[ . 1 . 2]"
1 34 LYS 28.370 1.196 4 17 "[***+****-** **. ****]"
1 35 GLU 14.443 1.196 4 15 "[***+.****** **. - **]"
1 36 VAL 4.025 0.753 4 1 "[ +. 1 . 2]"
1 37 THR 8.124 0.687 14 3 "[ - .* 1 +. 2]"
1 38 VAL 2.532 0.761 18 1 "[ . 1 . + 2]"
1 39 LEU 13.774 3.543 2 3 "[ + .* 1 *. 2]"
1 40 ALA 3.087 0.547 6 2 "[ .+ 1 - 2]"
1 41 GLU 4.574 0.569 2 3 "[ + .* 1 - 2]"
1 42 VAL 8.835 2.273 7 2 "[ - . + 1 . 2]"
1 43 ASN 9.943 3.543 2 2 "[ + .- 1 . 2]"
1 44 ILE 40.061 4.114 6 9 "[-* .+** 1 ** **]"
1 45 ASN 4.186 0.856 7 3 "[ . + 1 *. -]"
1 46 ASN 0.261 0.167 8 0 "[ . 1 . 2]"
1 47 SER 15.659 2.865 2 4 "[ + .- * 1 . *]"
1 48 VAL 2.954 0.879 2 2 "[ + .- 1 . 2]"
1 49 PHE 14.615 1.749 6 5 "[-* .+ 1 * *]"
1 50 ARG 13.110 1.147 1 11 "[+** . ** 1* * .-***2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 TYR 11.097 1.147 1 11 "[+** . ** 1* * .-***2]"
1 53 PHE 3.487 1.300 5 2 "[ + 1 . - 2]"
1 54 PHE 10.066 1.024 4 6 "[ +* *- 1 .* *]"
1 55 GLU 2.011 0.594 4 1 "[ +. 1 . 2]"
1 56 THR 0.707 0.254 2 0 "[ . 1 . 2]"
1 57 LYS 14.748 0.773 14 4 "[ * -. 1 +* 2]"
1 58 CYS 6.578 0.908 18 6 "[ * -. 1 ** +*2]"
1 59 ARG 22.360 1.640 15 15 "[**-******1* *+ ***2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 13.863 5.044 2 2 "[ + . 1 -. 2]"
1 63 PRO 7.353 4.574 14 2 "[ - . 1 +. 2]"
1 64 VAL 11.567 2.000 2 3 "[ + . - *. 2]"
1 65 GLU 5.852 0.881 2 1 "[ + . 1 . 2]"
1 66 SER 2.025 0.934 14 1 "[ . 1 +. 2]"
1 67 GLY 4.490 2.000 2 2 "[ + . 1 -. 2]"
1 68 CYS 5.672 1.338 14 4 "[ . * 1 * +. -]"
1 69 ARG 20.001 4.574 14 11 "[ * . ** -** +. ****]"
1 70 GLY 16.490 1.547 17 12 "[*** .* ** **.*+* -]"
1 71 ILE 6.777 1.338 14 2 "[ . 1 +. -]"
1 72 ASP 12.319 1.734 19 5 "[ * 1 *.- +*]"
1 73 SER 16.187 1.167 3 17 "[**+**** *****.-****]"
1 74 LYS 10.495 0.664 20 4 "[ - 1 *. *+]"
1 75 HIS 2.616 0.824 11 2 "[ . 1+ . -2]"
1 76 TRP 55.953 3.545 16 17 "[-***.** ******+****]"
1 77 ASN 3.804 0.950 15 1 "[ . 1 + 2]"
1 78 SER 0.423 0.143 4 0 "[ . 1 . 2]"
1 79 TYR 12.900 5.044 2 3 "[ + .- 1 *. 2]"
1 80 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.100 0.077 8 0 "[ . 1 . 2]"
1 82 THR 3.280 1.247 3 3 "[ + . 1 . *-2]"
1 83 THR 6.866 0.675 9 6 "[- . +* ** *]"
1 84 HIS 5.556 0.675 9 6 "[- . +* ** *]"
1 85 THR 47.145 4.911 1 18 "[+***** * *******-***]"
1 86 PHE 1.780 0.654 18 1 "[ . 1 . + 2]"
1 87 VAL 9.780 1.300 5 2 "[ + 1 . - 2]"
1 88 LYS 13.854 0.879 18 9 "[ - ** *1 ***. +*2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.270 0.134 11 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 1.431 0.414 4 0 "[ . 1 . 2]"
1 93 ASP 1.331 0.753 4 1 "[ +. 1 . 2]"
1 94 GLU 9.422 0.748 2 8 "[ +**. * ** . - *]"
1 95 LYS 13.098 0.959 20 11 "[****** 1 * .*-* +]"
1 96 GLN 8.290 0.561 11 3 "[* . - 1+ . 2]"
1 97 ALA 0.039 0.039 6 0 "[ . 1 . 2]"
1 98 ALA 0.039 0.039 6 0 "[ . 1 . 2]"
1 99 TRP 10.494 4.083 6 2 "[ .+- 1 . 2]"
1 100 ARG 2.446 0.911 6 1 "[ .+ 1 . 2]"
1 101 PHE 7.278 0.566 8 2 "[ -. + 1 . 2]"
1 102 ILE 4.818 2.274 14 1 "[ . 1 +. 2]"
1 103 ARG 5.160 0.654 18 3 "[ . -1 . + *]"
1 104 ILE 9.372 1.024 4 5 "[ +* * 1 .- *]"
1 105 ASP 0.050 0.050 16 0 "[ . 1 . 2]"
1 106 THR 44.250 4.939 1 18 "[+***** * *******-***]"
1 107 ALA 4.917 1.247 3 1 "[ + . 1 . 2]"
1 108 CYS 8.477 0.952 18 8 "[ * ** * 1 * * +-2]"
1 109 VAL 10.539 0.952 18 8 "[ * ** * 1 * * +-2]"
1 110 CYS 3.506 0.603 18 2 "[ . 1 . +-2]"
1 111 VAL 10.857 1.844 2 5 "[ + .- *1 *. *]"
1 112 LEU 20.815 1.536 17 13 "[-** .** *****. +* *]"
1 113 SER 3.781 1.103 11 2 "[- . 1+ . 2]"
1 114 ARG 3.934 3.545 16 1 "[ . 1 .+ 2]"
1 115 LYS 26.059 3.292 15 6 "[* *. 1 +** -2]"
1 116 ALA 0.077 0.077 16 0 "[ . 1 . 2]"
1 117 THR 5.286 1.624 13 3 "[ . *1 + . -2]"
1 118 ARG 15.119 1.669 15 8 "[- .** *1 **+ *2]"
2 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 THR 0.545 0.280 19 0 "[ . 1 . 2]"
2 4 HIS 13.941 3.045 11 7 "[ **. -*1+ . * *]"
2 5 PRO 9.492 0.488 16 0 "[ . 1 . 2]"
2 6 VAL 21.933 2.637 5 6 "[**- + *1* . 2]"
2 7 PHE 20.353 3.045 11 9 "[ *** **-+ . * *]"
2 8 HIS 0.977 0.503 19 1 "[ . 1 . +2]"
2 9 MET 15.188 1.669 15 8 "[** .** 1 **+ -2]"
2 10 GLY 0.304 0.304 7 0 "[ . 1 . 2]"
2 11 GLU 4.724 0.805 1 4 "[+ - 1 . * *]"
2 12 PHE 17.340 2.637 5 7 "[- * + *** *. 2]"
2 13 SER 4.316 1.669 9 2 "[ . +1 . -]"
2 14 VAL 3.499 0.605 18 2 "[ . 1 . +-2]"
2 15 CYS 0.540 0.540 14 1 "[ . 1 +. 2]"
2 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 VAL 13.872 1.633 15 6 "[ *- . *1* + * 2]"
2 19 SER 0.142 0.060 1 0 "[ . 1 . 2]"
2 20 VAL 9.412 0.597 4 1 "[ +. 1 . 2]"
2 21 TRP 14.975 1.824 15 5 "[ * **- 1 + 2]"
2 22 VAL 4.806 0.868 17 1 "[ . 1 . + 2]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 ASP 1.687 0.648 17 1 "[ . 1 . + 2]"
2 25 LYS 10.780 2.273 14 4 "[ . 1- +. ** 2]"
2 26 THR 3.464 0.836 7 2 "[ . + 1 -. 2]"
2 27 THR 4.306 0.836 7 1 "[ . + 1 . 2]"
2 28 ALA 5.327 0.227 2 0 "[ . 1 . 2]"
2 29 THR 0.005 0.005 15 0 "[ . 1 . 2]"
2 30 ASP 5.372 0.462 6 0 "[ . 1 . 2]"
2 31 ILE 9.206 1.806 15 4 "[ - ** 1 + 2]"
2 32 LYS 5.118 0.807 3 5 "[* + . 1- * * 2]"
2 33 GLY 0.054 0.050 4 0 "[ . 1 . 2]"
2 34 LYS 28.414 1.194 4 17 "[***+****-** **. ****]"
2 35 GLU 14.495 1.194 4 15 "[***+.****** **. - **]"
2 36 VAL 4.030 0.757 4 1 "[ +. 1 . 2]"
2 37 THR 8.090 0.685 14 3 "[ - .* 1 +. 2]"
2 38 VAL 2.536 0.761 18 1 "[ . 1 . + 2]"
2 39 LEU 13.728 3.546 2 3 "[ + .* 1 *. 2]"
2 40 ALA 3.108 0.549 6 2 "[ .+ 1 - 2]"
2 41 GLU 4.585 0.569 2 3 "[ + .* 1 - 2]"
2 42 VAL 8.846 2.272 7 2 "[ - . + 1 . 2]"
2 43 ASN 9.914 3.546 2 2 "[ + .- 1 . 2]"
2 44 ILE 40.033 4.083 6 9 "[-* .+** 1 ** **]"
2 45 ASN 4.193 0.857 7 3 "[ . + 1 *. -]"
2 46 ASN 0.266 0.170 8 0 "[ . 1 . 2]"
2 47 SER 15.680 2.872 2 4 "[ + .- * 1 . *]"
2 48 VAL 2.939 0.881 2 2 "[ + .- 1 . 2]"
2 49 PHE 14.623 1.746 6 5 "[-* .+ 1 * *]"
2 50 ARG 13.108 1.148 1 11 "[+** . ** 1* * .-***2]"
2 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 TYR 11.092 1.148 1 11 "[+** . ** 1* * .-***2]"
2 53 PHE 3.488 1.301 5 2 "[ + 1 . - 2]"
2 54 PHE 10.076 1.023 4 5 "[ +* - 1 .* *]"
2 55 GLU 2.010 0.597 4 1 "[ +. 1 . 2]"
2 56 THR 0.694 0.248 2 0 "[ . 1 . 2]"
2 57 LYS 14.714 0.774 4 4 "[ * +. 1 ** 2]"
2 58 CYS 6.552 0.901 18 6 "[ * -. 1 ** +*2]"
2 59 ARG 22.369 1.633 15 15 "[*********1* *+ ***2]"
2 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ASN 5.258 1.848 2 2 "[ + . 1 -. 2]"
2 63 PRO 7.346 4.569 14 2 "[ - . 1 +. 2]"
2 64 VAL 11.556 1.987 2 3 "[ + . - *. 2]"
2 65 GLU 5.862 0.876 2 1 "[ + . 1 . 2]"
2 66 SER 2.015 0.933 14 1 "[ . 1 +. 2]"
2 67 GLY 4.481 1.987 2 2 "[ + . 1 -. 2]"
2 68 CYS 5.675 1.340 14 5 "[ - . * 1 * +. *]"
2 69 ARG 19.926 4.569 14 11 "[ * . ** -** +. ****]"
2 70 GLY 16.280 1.537 16 11 "[*** .* -* **.+** 2]"
2 71 ILE 6.753 1.340 14 3 "[ - . 1 +. *]"
2 72 ASP 12.284 1.727 19 5 "[ * 1 *.- +*]"
2 73 SER 16.172 1.162 3 17 "[**+**** *****.-****]"
2 74 LYS 10.475 0.663 20 4 "[ - 1 *. *+]"
2 75 HIS 2.649 0.834 11 2 "[ . 1+ . -2]"
2 76 TRP 55.989 3.550 16 17 "[-***.** ******+****]"
2 77 ASN 3.784 0.947 15 1 "[ . 1 + 2]"
2 78 SER 0.437 0.141 4 0 "[ . 1 . 2]"
2 79 TYR 4.352 0.560 6 1 "[ .+ 1 . 2]"
2 80 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 THR 0.098 0.076 8 0 "[ . 1 . 2]"
2 82 THR 3.275 1.241 3 3 "[ + . 1 . *-2]"
2 83 THR 6.866 0.678 9 6 "[- . +* ** *]"
2 84 HIS 5.550 0.678 9 6 "[- . +* ** *]"
2 85 THR 47.176 4.939 1 18 "[+***** * *******-***]"
2 86 PHE 1.763 0.657 18 1 "[ . 1 . + 2]"
2 87 VAL 8.046 1.301 5 2 "[ + 1 . - 2]"
2 88 LYS 13.849 0.880 18 9 "[ - ** *1 ***. +*2]"
2 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 LEU 0.272 0.134 11 0 "[ . 1 . 2]"
2 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 THR 1.400 0.413 4 0 "[ . 1 . 2]"
2 93 ASP 1.349 0.757 4 1 "[ +. 1 . 2]"
2 94 GLU 9.447 0.753 2 8 "[ +**. * ** . - *]"
2 95 LYS 13.088 0.960 20 11 "[****** 1 * .*-* +]"
2 96 GLN 8.257 0.563 11 3 "[* . - 1+ . 2]"
2 97 ALA 0.038 0.038 6 0 "[ . 1 . 2]"
2 98 ALA 0.038 0.038 6 0 "[ . 1 . 2]"
2 99 TRP 10.577 4.114 6 2 "[ .+- 1 . 2]"
2 100 ARG 2.425 0.914 6 1 "[ .+ 1 . 2]"
2 101 PHE 0.837 0.223 4 0 "[ . 1 . 2]"
2 102 ILE 4.810 2.273 14 1 "[ . 1 +. 2]"
2 103 ARG 5.154 0.657 18 3 "[ . -1 . + *]"
2 104 ILE 9.358 1.023 4 5 "[ +* * 1 .- *]"
2 105 ASP 0.052 0.052 16 0 "[ . 1 . 2]"
2 106 THR 44.200 4.911 1 18 "[+***** * *******-***]"
2 107 ALA 4.924 1.241 3 1 "[ + . 1 . 2]"
2 108 CYS 8.470 0.952 18 8 "[ * ** * 1 * - +*2]"
2 109 VAL 10.558 0.952 18 8 "[ * ** * 1 * - +*2]"
2 110 CYS 3.499 0.605 18 2 "[ . 1 . +-2]"
2 111 VAL 10.867 1.848 2 5 "[ + .- *1 *. *]"
2 112 LEU 21.044 1.547 17 13 "[*** .** *****. +* -]"
2 113 SER 4.002 1.047 1 2 "[+ . 1- . 2]"
2 114 ARG 3.933 3.550 16 1 "[ . 1 .+ 2]"
2 115 LYS 26.019 3.293 15 6 "[* *. 1 +** -2]"
2 116 ALA 0.081 0.081 16 0 "[ . 1 . 2]"
2 117 THR 5.249 1.617 13 3 "[ . *1 + . -2]"
2 118 ARG 14.497 1.669 15 8 "[- .** *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 2 SER H 1 3 THR HB 5.774 . 9.941 5.716 4.336 6.777 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 2 SER HB3 2.899 . 3.950 2.507 2.367 3.030 . 0 0 "[ . 1 . 2]" 1
3 1 3 THR H 1 3 THR HB 4.004 . 6.008 3.549 2.740 4.078 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 3 THR MG 3.454 . 4.945 2.821 2.590 3.744 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 3 THR HB 2.156 . 2.737 2.601 2.487 3.016 0.279 19 0 "[ . 1 . 2]" 1
6 1 3 THR HA 1 3 THR MG 2.295 . 2.953 2.291 2.193 3.220 0.267 10 0 "[ . 1 . 2]" 1
7 1 3 THR HB 1 3 THR MG 2.028 . 2.542 2.133 2.128 2.135 . 0 0 "[ . 1 . 2]" 1
8 1 4 HIS HA 1 4 HIS QB 2.883 . 3.922 2.271 2.173 2.470 . 0 0 "[ . 1 . 2]" 1
9 1 4 HIS HA 1 4 HIS HD2 4.060 . 6.120 4.437 3.265 4.739 . 0 0 "[ . 1 . 2]" 1
10 1 4 HIS HA 1 4 HIS HE1 5.761 . 9.910 5.846 4.838 6.409 . 0 0 "[ . 1 . 2]" 1
11 1 4 HIS HA 1 5 PRO HA 5.026 . 8.183 4.557 4.446 4.667 . 0 0 "[ . 1 . 2]" 1
12 1 4 HIS HA 1 5 PRO QB 5.140 . 8.443 4.682 4.524 4.877 . 0 0 "[ . 1 . 2]" 1
13 1 4 HIS HA 1 5 PRO HD2 2.546 . 3.357 2.216 1.969 2.547 . 0 0 "[ . 1 . 2]" 1
14 1 4 HIS HA 1 5 PRO HD3 2.502 . 3.285 2.448 2.064 2.796 . 0 0 "[ . 1 . 2]" 1
15 1 4 HIS HA 1 5 PRO QG 4.763 . 7.599 3.943 3.818 4.199 . 0 0 "[ . 1 . 2]" 1
16 1 4 HIS HA 1 6 VAL H 3.892 . 5.785 4.349 3.430 5.769 . 0 0 "[ . 1 . 2]" 1
17 1 4 HIS QB 1 5 PRO HA 6.656 . 12.194 4.881 4.678 5.070 . 0 0 "[ . 1 . 2]" 1
18 1 4 HIS QB 1 5 PRO HD2 4.380 . 5.655 3.846 3.215 4.489 . 0 0 "[ . 1 . 2]" 1
19 1 4 HIS QB 1 5 PRO HD3 5.276 . 8.663 4.227 3.909 4.465 . 0 0 "[ . 1 . 2]" 1
20 1 4 HIS QB 1 6 VAL HA 4.650 . 7.353 4.751 3.958 5.680 . 0 0 "[ . 1 . 2]" 1
21 1 4 HIS QB 1 7 PHE H 2.899 . 3.949 4.277 2.705 6.987 3.038 11 7 "[ **. -*1+ . * *]" 1
22 1 4 HIS HD2 1 6 VAL HB 6.156 . 10.893 6.123 4.861 7.457 . 0 0 "[ . 1 . 2]" 1
23 1 4 HIS HD2 1 6 VAL QG 4.125 . 6.252 3.981 2.192 5.466 . 0 0 "[ . 1 . 2]" 1
24 1 5 PRO HA 1 5 PRO HD2 5.032 . 8.197 4.071 3.923 4.104 . 0 0 "[ . 1 . 2]" 1
25 1 5 PRO HA 1 5 PRO HD3 4.385 . 6.789 3.762 3.543 3.890 . 0 0 "[ . 1 . 2]" 1
26 1 5 PRO HA 1 6 VAL H 2.300 . 2.961 2.617 2.170 3.337 0.376 9 0 "[ . 1 . 2]" 1
27 1 5 PRO HA 1 6 VAL HA 5.518 . 9.324 4.695 4.418 5.167 . 0 0 "[ . 1 . 2]" 1
28 1 5 PRO HA 1 6 VAL HB 3.111 . 4.321 4.625 4.389 4.812 0.491 16 0 "[ . 1 . 2]" 1
29 1 5 PRO HA 1 6 VAL QG 3.333 . 4.721 3.222 3.017 3.666 . 0 0 "[ . 1 . 2]" 1
30 1 5 PRO QB 1 5 PRO HD3 3.667 . 5.348 3.039 2.885 3.544 . 0 0 "[ . 1 . 2]" 1
31 1 5 PRO QB 1 5 PRO QG . . 2.925 1.974 1.962 1.980 . 0 0 "[ . 1 . 2]" 1
32 1 5 PRO QB 1 6 VAL H 4.456 . 6.382 3.905 3.524 4.003 . 0 0 "[ . 1 . 2]" 1
33 1 5 PRO QB 1 6 VAL QG 3.281 . 4.627 3.932 3.344 4.669 0.042 3 0 "[ . 1 . 2]" 1
34 1 5 PRO QB 1 8 HIS QB 5.788 . 9.078 5.585 3.230 8.417 . 0 0 "[ . 1 . 2]" 1
35 1 5 PRO HD2 1 5 PRO QG . . 3.045 2.187 2.176 2.251 . 0 0 "[ . 1 . 2]" 1
36 1 5 PRO HD2 1 6 VAL H 3.798 . 5.601 4.270 2.701 5.382 . 0 0 "[ . 1 . 2]" 1
37 1 5 PRO HD3 1 5 PRO QG 3.588 . 4.165 2.216 2.184 2.248 . 0 0 "[ . 1 . 2]" 1
38 1 5 PRO QG 1 6 VAL H 3.146 . 4.383 4.390 3.083 4.870 0.487 5 0 "[ . 1 . 2]" 1
39 1 5 PRO QG 1 7 PHE HB2 5.667 . 9.681 5.447 4.326 6.499 . 0 0 "[ . 1 . 2]" 1
40 1 5 PRO QG 1 7 PHE HB3 5.354 . 8.937 5.874 4.876 7.228 . 0 0 "[ . 1 . 2]" 1
41 1 5 PRO QG 1 7 PHE QD 6.562 . 11.945 5.433 2.676 7.132 . 0 0 "[ . 1 . 2]" 1
42 1 5 PRO QG 1 12 PHE QE 7.697 . 15.103 8.634 5.092 13.888 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL H 1 6 VAL HA 2.688 . 3.591 2.334 2.259 2.914 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL H 1 6 VAL HB 2.756 . 3.706 3.573 2.632 3.714 0.008 13 0 "[ . 1 . 2]" 1
45 1 6 VAL H 1 6 VAL QG . . 3.062 2.544 1.941 2.781 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 7 PHE HA 3.927 . 5.855 5.042 4.861 5.631 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL HA 1 6 VAL HB 2.745 . 3.687 3.018 3.012 3.025 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL HA 1 6 VAL QG 2.362 . 3.060 2.136 2.122 2.144 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL HA 1 7 PHE H 2.420 . 3.152 2.818 2.258 3.575 0.423 9 0 "[ . 1 . 2]" 1
50 1 6 VAL HA 1 7 PHE HB2 4.659 . 7.372 4.827 4.154 5.950 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL HA 1 7 PHE HB3 5.131 . 8.422 5.313 4.438 6.629 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL HA 1 7 PHE QD 6.318 . 11.308 5.256 3.362 6.639 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL HA 1 9 MET HA 4.558 . 7.154 5.580 4.751 7.366 0.212 8 0 "[ . 1 . 2]" 1
54 1 6 VAL HB 1 6 VAL QG 1.759 . 2.113 1.895 1.893 1.897 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL HB 1 7 PHE H 3.613 . 5.245 4.010 2.365 4.441 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL HB 1 7 PHE HB2 4.567 . 7.174 5.508 4.510 6.594 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL HB 1 7 PHE QD 4.756 . 7.583 5.724 3.289 7.127 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL HB 1 9 MET ME 2.165 . 6.000 4.337 2.155 6.321 0.321 9 0 "[ . 1 . 2]" 1
59 1 6 VAL QG 1 7 PHE H 4.045 . 6.090 3.627 3.006 3.768 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL QG 1 7 PHE HB3 4.900 . 7.901 4.812 3.766 5.777 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL QG 1 7 PHE QD 3.660 . 5.335 4.549 2.821 5.560 0.225 3 0 "[ . 1 . 2]" 1
62 1 6 VAL QG 1 8 HIS HA 4.769 . 7.612 5.243 4.124 6.116 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL QG 1 9 MET H 3.333 . 4.721 3.443 2.370 4.545 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL QG 1 9 MET ME 3.008 . 4.139 3.367 2.063 5.324 1.185 2 2 "[-+ . 1 . 2]" 1
65 1 6 VAL QG 1 9 MET HG3 3.680 . 5.373 4.384 2.034 5.461 0.088 2 0 "[ . 1 . 2]" 1
66 1 6 VAL QG 1 10 GLY HA3 4.453 . 6.931 5.163 2.627 7.232 0.301 7 0 "[ . 1 . 2]" 1
67 1 6 VAL QG 1 12 PHE QE 3.818 . 5.640 4.274 2.152 8.274 2.634 5 4 "[ - + *1* . 2]" 1
68 1 7 PHE H 1 7 PHE HA 2.474 . 3.239 2.501 2.255 2.935 . 0 0 "[ . 1 . 2]" 1
69 1 7 PHE H 1 7 PHE HB2 3.274 . 4.614 2.999 2.374 4.004 . 0 0 "[ . 1 . 2]" 1
70 1 7 PHE H 1 7 PHE HB3 3.300 . 4.662 3.464 2.543 4.114 . 0 0 "[ . 1 . 2]" 1
71 1 7 PHE H 1 7 PHE QD 4.263 . 6.535 3.784 2.531 4.433 . 0 0 "[ . 1 . 2]" 1
72 1 7 PHE HA 1 7 PHE QD 3.542 . 5.110 2.680 2.071 3.724 . 0 0 "[ . 1 . 2]" 1
73 1 7 PHE HA 1 8 HIS H 2.812 . 3.800 3.083 2.501 3.578 . 0 0 "[ . 1 . 2]" 1
74 1 7 PHE HB2 1 9 MET ME 4.969 . 8.055 5.500 4.038 6.335 . 0 0 "[ . 1 . 2]" 1
75 1 7 PHE HB3 1 10 GLY HA2 5.609 . 9.541 6.508 2.600 9.368 . 0 0 "[ . 1 . 2]" 1
76 1 7 PHE QD 1 9 MET ME 5.448 . 9.159 7.479 4.678 9.059 . 0 0 "[ . 1 . 2]" 1
77 1 7 PHE QD 1 11 GLU HG2 4.921 . 7.948 4.240 2.173 6.404 . 0 0 "[ . 1 . 2]" 1
78 1 7 PHE QD 1 12 PHE H 4.563 . 7.166 6.511 4.831 8.592 1.426 9 4 "[ * * +- . 2]" 1
79 1 8 HIS H 1 8 HIS HA 2.764 . 3.719 2.628 2.256 2.915 . 0 0 "[ . 1 . 2]" 1
80 1 8 HIS HA 1 8 HIS QB 3.381 . 4.005 2.399 2.181 2.453 . 0 0 "[ . 1 . 2]" 1
81 1 8 HIS HA 1 8 HIS HD2 3.971 . 5.942 3.962 2.545 4.514 . 0 0 "[ . 1 . 2]" 1
82 1 8 HIS QB 1 8 HIS HD2 3.130 . 4.355 2.789 2.652 3.127 . 0 0 "[ . 1 . 2]" 1
83 1 8 HIS QB 1 9 MET H 5.396 . 9.036 3.623 2.599 4.009 . 0 0 "[ . 1 . 2]" 1
84 1 8 HIS QB 1 9 MET HB3 5.391 . 9.024 5.567 4.010 6.331 . 0 0 "[ . 1 . 2]" 1
85 1 8 HIS QB 1 11 GLU HB3 5.616 . 9.559 5.972 3.493 9.811 0.252 8 0 "[ . 1 . 2]" 1
86 1 8 HIS HD2 1 9 MET ME 5.608 . 9.539 6.295 4.683 9.245 . 0 0 "[ . 1 . 2]" 1
87 1 8 HIS HD2 1 9 MET HG3 4.596 . 7.237 5.462 3.356 7.737 0.500 19 0 "[ . 1 . 2]" 1
88 1 9 MET H 1 9 MET ME 5.407 . 9.061 4.412 3.477 5.257 . 0 0 "[ . 1 . 2]" 1
89 1 9 MET HA 1 9 MET HB2 2.960 . 4.055 2.717 2.405 3.029 . 0 0 "[ . 1 . 2]" 1
90 1 9 MET HA 1 9 MET HB3 2.887 . 3.929 2.517 2.338 3.040 . 0 0 "[ . 1 . 2]" 1
91 1 9 MET HA 1 9 MET ME 4.002 . 6.004 4.046 3.012 4.447 . 0 0 "[ . 1 . 2]" 1
92 1 9 MET HA 1 9 MET HG2 3.695 . 5.402 3.172 2.454 3.830 . 0 0 "[ . 1 . 2]" 1
93 1 9 MET HA 1 9 MET HG3 3.372 . 4.794 3.376 2.750 3.874 . 0 0 "[ . 1 . 2]" 1
94 1 9 MET HB2 1 9 MET ME 1.609 . 6.000 2.630 1.990 3.045 . 0 0 "[ . 1 . 2]" 1
95 1 9 MET HB2 1 9 MET HG2 2.710 . 3.628 2.978 2.449 3.014 . 0 0 "[ . 1 . 2]" 1
96 1 9 MET HB3 1 9 MET HG3 2.610 . 3.461 2.980 2.454 3.013 . 0 0 "[ . 1 . 2]" 1
97 1 9 MET ME 1 9 MET HG2 3.581 . 5.184 2.747 2.471 3.406 . 0 0 "[ . 1 . 2]" 1
98 1 9 MET ME 1 9 MET HG3 2.549 . 3.361 3.182 2.471 3.406 0.045 18 0 "[ . 1 . 2]" 1
99 1 9 MET ME 1 12 PHE HD1 5.319 . 8.856 6.405 4.576 9.185 0.329 1 0 "[ . 1 . 2]" 1
100 1 9 MET ME 2 118 ARG QB 5.000 . 5.000 4.849 2.478 6.669 1.669 15 4 "[ .*- 1 * + 2]" 1
101 1 9 MET ME 2 118 ARG QG 5.000 . 5.000 4.440 2.384 6.338 1.338 14 3 "[- .* 1 +. 2]" 1
102 1 10 GLY HA2 1 11 GLU H 3.105 . 4.310 3.001 2.153 3.529 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLY HA2 1 12 PHE HA 5.145 . 8.453 6.098 5.510 6.583 . 0 0 "[ . 1 . 2]" 1
104 1 10 GLY HA2 1 12 PHE QE 6.880 . 12.797 5.187 2.628 7.285 . 0 0 "[ . 1 . 2]" 1
105 1 10 GLY HA3 1 11 GLU H 2.816 . 3.807 2.978 2.178 3.536 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLY HA3 1 11 GLU HA 4.980 . 8.079 4.484 4.332 4.678 . 0 0 "[ . 1 . 2]" 1
107 1 10 GLY HA3 1 11 GLU HG2 6.011 . 10.527 5.249 3.507 6.924 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU H 1 11 GLU HA 2.837 . 3.843 2.783 2.257 2.939 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU H 1 11 GLU HB2 3.955 . 5.910 3.195 2.401 3.722 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU H 1 11 GLU HB3 2.661 . 3.546 3.361 2.736 4.086 0.540 20 3 "[ * 1 . - +]" 1
111 1 11 GLU H 1 11 GLU HG2 4.191 . 6.387 3.061 1.715 5.311 0.280 19 0 "[ . 1 . 2]" 1
112 1 11 GLU H 1 11 GLU HG3 2.974 . 4.080 3.444 2.175 4.891 0.811 1 1 "[+ . 1 . 2]" 1
113 1 11 GLU H 1 12 PHE H 3.212 . 4.501 2.952 2.364 3.839 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLU HA 1 11 GLU HG2 4.292 . 6.595 3.303 2.423 4.220 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLU HA 1 11 GLU HG3 4.304 . 6.620 3.628 2.821 4.270 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLU HB2 1 12 PHE H 4.973 . 8.065 4.159 3.480 4.651 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLU HB3 1 11 GLU HG2 2.593 . 3.433 2.686 2.403 3.019 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLU HB3 1 11 GLU HG3 2.652 . 3.531 2.720 2.431 3.015 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU HG3 1 12 PHE H 4.315 . 6.643 5.005 3.733 5.942 . 0 0 "[ . 1 . 2]" 1
120 1 12 PHE H 1 12 PHE HA 2.858 . 3.879 2.844 2.254 2.944 . 0 0 "[ . 1 . 2]" 1
121 1 12 PHE H 1 12 PHE HB2 4.168 . 6.340 2.483 2.311 3.497 . 0 0 "[ . 1 . 2]" 1
122 1 12 PHE H 1 12 PHE HB3 3.039 . 4.193 3.640 3.562 4.102 . 0 0 "[ . 1 . 2]" 1
123 1 12 PHE H 1 12 PHE HD1 4.130 . 6.262 2.871 2.221 3.513 . 0 0 "[ . 1 . 2]" 1
124 1 12 PHE H 1 12 PHE QE 4.307 . 6.625 4.716 4.199 5.420 . 0 0 "[ . 1 . 2]" 1
125 1 12 PHE H 2 111 VAL QG 5.000 . 5.000 3.221 2.131 4.627 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE HA 1 12 PHE HD1 3.945 . 5.891 4.052 2.957 4.476 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE HA 1 12 PHE QE 4.258 . 6.525 4.507 4.324 4.669 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE HA 1 12 PHE HZ 4.517 . 7.067 5.894 5.757 6.019 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE HB2 1 12 PHE QE 4.584 . 7.211 4.395 4.363 4.488 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE HB2 1 13 SER H 3.341 . 4.736 4.231 3.612 4.543 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE HB3 1 13 SER H 4.021 . 6.042 3.408 2.281 4.243 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE QD 2 112 LEU QD 5.000 . 5.000 4.945 4.025 5.706 0.706 14 1 "[ . 1 +. 2]" 1
133 1 12 PHE HD1 1 13 SER H 5.002 . 8.130 5.823 5.019 6.281 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE QE 2 113 SER HA 5.000 . 5.000 4.764 3.363 6.047 1.047 1 2 "[+ . 1- . 2]" 1
135 1 13 SER H 1 13 SER HA 2.712 . 3.632 2.875 2.787 2.943 . 0 0 "[ . 1 . 2]" 1
136 1 13 SER H 1 13 SER HB2 3.587 . 5.195 2.972 2.472 3.577 . 0 0 "[ . 1 . 2]" 1
137 1 13 SER H 1 13 SER HB3 3.112 . 4.323 3.126 2.473 3.860 . 0 0 "[ . 1 . 2]" 1
138 1 13 SER H 1 14 VAL H 4.003 . 6.006 4.430 4.181 4.607 . 0 0 "[ . 1 . 2]" 1
139 1 13 SER H 2 111 VAL HA 5.000 . 5.000 4.915 3.542 6.690 1.690 9 2 "[ . +1 . -]" 1
140 1 13 SER HA 1 13 SER HB3 2.960 . 4.055 2.697 2.376 3.036 . 0 0 "[ . 1 . 2]" 1
141 1 13 SER HA 1 14 VAL H 2.852 . 3.869 2.234 2.134 2.538 . 0 0 "[ . 1 . 2]" 1
142 1 13 SER HA 1 14 VAL MG2 4.454 . 6.934 3.810 3.603 4.193 . 0 0 "[ . 1 . 2]" 1
143 1 13 SER HA 1 15 CYS H 3.693 . 5.397 3.782 3.492 4.231 . 0 0 "[ . 1 . 2]" 1
144 1 13 SER HB2 1 14 VAL H 4.279 . 6.568 3.921 2.966 4.307 . 0 0 "[ . 1 . 2]" 1
145 1 13 SER HB2 1 15 CYS H 3.434 . 4.908 3.739 2.550 4.486 . 0 0 "[ . 1 . 2]" 1
146 1 13 SER HB3 1 14 VAL H 4.692 . 7.443 3.655 2.949 4.203 . 0 0 "[ . 1 . 2]" 1
147 1 13 SER HB3 1 15 CYS H 4.345 . 6.705 3.199 2.630 4.351 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL H 1 14 VAL HB 3.425 . 4.891 3.628 3.609 3.652 . 0 0 "[ . 1 . 2]" 1
149 1 14 VAL H 1 14 VAL MG1 2.471 . 3.234 2.267 2.157 2.626 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL H 1 14 VAL MG2 2.471 . 3.234 1.995 1.898 2.102 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL H 1 15 CYS H 2.649 . 3.526 2.575 2.432 2.725 . 0 0 "[ . 1 . 2]" 1
152 1 14 VAL H 2 112 LEU QD 5.000 . 5.000 4.280 3.525 5.007 0.007 14 0 "[ . 1 . 2]" 1
153 1 14 VAL HA 1 14 VAL MG1 2.351 . 3.042 2.329 2.286 2.366 . 0 0 "[ . 1 . 2]" 1
154 1 14 VAL HA 1 14 VAL MG2 3.293 . 4.649 3.215 3.206 3.224 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL HA 1 15 CYS H 3.538 . 5.102 3.412 3.189 3.514 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL HA 1 69 ARG H 4.805 . 7.691 4.181 3.121 5.818 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL HA 2 112 LEU QD 5.000 . 5.000 2.910 2.138 3.734 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL HB 1 14 VAL MG1 2.208 . 2.817 2.127 2.121 2.130 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL HB 1 14 VAL MG2 2.186 . 2.783 2.129 2.128 2.131 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL HB 1 15 CYS H 3.501 . 5.033 3.957 3.686 4.271 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL HB 1 15 CYS HA 4.464 . 6.955 4.796 4.513 4.918 . 0 0 "[ . 1 . 2]" 1
162 1 14 VAL HB 1 68 CYS HB2 4.773 . 7.621 3.426 2.211 5.301 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL HB 2 71 ILE MD 5.000 . 5.000 3.851 3.419 4.626 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL MG1 1 14 VAL MG2 1.321 . 6.000 2.081 2.074 2.087 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL MG1 1 15 CYS H 3.103 . 4.306 4.050 3.961 4.272 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL MG1 1 15 CYS HB2 4.305 . 6.621 5.518 5.262 5.829 . 0 0 "[ . 1 . 2]" 1
167 1 14 VAL MG1 1 68 CYS HB2 4.367 . 6.751 4.513 3.816 6.051 . 0 0 "[ . 1 . 2]" 1
168 1 14 VAL MG1 1 69 ARG H 4.083 . 6.167 4.672 3.734 5.885 . 0 0 "[ . 1 . 2]" 1
169 1 14 VAL MG1 1 110 CYS H 3.333 . 6.000 5.511 4.842 6.237 0.237 18 0 "[ . 1 . 2]" 1
170 1 14 VAL MG1 1 110 CYS HB2 3.205 . 4.489 4.557 3.926 5.092 0.603 18 2 "[ . 1 . +-2]" 1
171 1 14 VAL MG2 1 15 CYS H 2.492 . 3.269 2.463 2.095 3.125 . 0 0 "[ . 1 . 2]" 1
172 1 14 VAL MG2 1 15 CYS HB2 3.300 . 4.661 2.992 2.709 3.553 . 0 0 "[ . 1 . 2]" 1
173 1 14 VAL MG2 1 68 CYS HB2 3.934 . 5.869 3.767 2.319 4.871 . 0 0 "[ . 1 . 2]" 1
174 1 14 VAL MG2 1 71 ILE MD 2.577 . 6.000 4.130 3.219 5.010 . 0 0 "[ . 1 . 2]" 1
175 1 14 VAL MG2 1 110 CYS H 3.624 . 5.266 3.351 2.712 3.935 . 0 0 "[ . 1 . 2]" 1
176 1 14 VAL MG2 2 112 LEU QD 5.000 . 5.000 4.091 3.760 4.547 . 0 0 "[ . 1 . 2]" 1
177 1 15 CYS H 1 15 CYS HA 2.787 . 3.758 2.934 2.916 2.943 . 0 0 "[ . 1 . 2]" 1
178 1 15 CYS H 1 15 CYS HB2 2.940 . 4.020 2.984 2.496 3.206 . 0 0 "[ . 1 . 2]" 1
179 1 15 CYS H 1 15 CYS HB3 3.099 . 4.299 2.974 2.526 3.797 . 0 0 "[ . 1 . 2]" 1
180 1 15 CYS H 1 68 CYS HB3 3.405 . 6.000 5.043 4.195 6.546 0.546 14 1 "[ . 1 +. 2]" 1
181 1 15 CYS H 1 110 CYS HB2 4.008 . 6.016 4.619 3.715 5.863 . 0 0 "[ . 1 . 2]" 1
182 1 15 CYS HB2 1 108 CYS HB2 5.429 . 9.114 3.293 2.115 4.562 . 0 0 "[ . 1 . 2]" 1
183 1 15 CYS HB2 1 110 CYS H 5.126 . 8.410 4.872 3.894 5.784 . 0 0 "[ . 1 . 2]" 1
184 1 15 CYS HB3 1 16 ASP HB3 5.206 . 8.593 3.918 3.180 4.717 . 0 0 "[ . 1 . 2]" 1
185 1 16 ASP H 1 16 ASP HB2 3.862 . 5.727 2.468 2.217 2.763 . 0 0 "[ . 1 . 2]" 1
186 1 16 ASP H 1 16 ASP HB3 3.501 . 5.033 3.371 2.585 3.679 . 0 0 "[ . 1 . 2]" 1
187 1 16 ASP HB3 1 59 ARG H 3.590 . 5.201 4.264 3.698 4.865 . 0 0 "[ . 1 . 2]" 1
188 1 16 ASP HB3 1 59 ARG HA 4.779 . 7.634 5.604 4.994 6.633 . 0 0 "[ . 1 . 2]" 1
189 1 17 SER HA 1 17 SER QB 3.616 . 4.202 2.284 2.178 2.368 . 0 0 "[ . 1 . 2]" 1
190 1 17 SER HA 1 18 VAL H 2.220 . 2.836 2.258 2.165 2.384 . 0 0 "[ . 1 . 2]" 1
191 1 17 SER HA 1 18 VAL HA 3.958 . 5.917 4.398 4.372 4.440 . 0 0 "[ . 1 . 2]" 1
192 1 17 SER HA 1 18 VAL HB 4.335 . 6.684 4.531 4.399 4.663 . 0 0 "[ . 1 . 2]" 1
193 1 17 SER HA 1 18 VAL QG 3.974 . 5.948 3.536 3.427 3.608 . 0 0 "[ . 1 . 2]" 1
194 1 17 SER HA 1 58 CYS HA 2.968 . 4.069 2.668 2.150 3.006 . 0 0 "[ . 1 . 2]" 1
195 1 17 SER QB 1 18 VAL H 3.032 . 4.181 2.800 2.441 3.148 . 0 0 "[ . 1 . 2]" 1
196 1 17 SER QB 1 18 VAL QG 4.094 . 6.189 4.144 3.746 4.375 . 0 0 "[ . 1 . 2]" 1
197 1 17 SER QB 1 57 LYS H 3.527 . 5.082 4.240 3.669 4.632 . 0 0 "[ . 1 . 2]" 1
198 1 17 SER QB 1 108 CYS HB2 4.504 . 7.040 3.284 2.585 3.930 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL H 1 18 VAL HA 2.931 . 4.005 2.942 2.939 2.948 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL H 1 18 VAL HB 2.628 . 3.491 3.144 3.034 3.248 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL H 1 18 VAL QG . . 2.282 2.063 1.951 2.154 . 0 0 "[ . 1 . 2]" 1
202 1 18 VAL H 1 56 THR HA 4.842 . 7.772 4.148 3.919 4.344 . 0 0 "[ . 1 . 2]" 1
203 1 18 VAL H 1 56 THR MG 2.637 . 3.506 3.175 2.794 3.760 0.254 2 0 "[ . 1 . 2]" 1
204 1 18 VAL H 1 57 LYS H 2.748 . 3.692 2.946 2.785 3.114 . 0 0 "[ . 1 . 2]" 1
205 1 18 VAL H 1 57 LYS HA 2.977 . 6.000 4.616 4.513 4.697 . 0 0 "[ . 1 . 2]" 1
206 1 18 VAL H 1 57 LYS QB 3.932 . 4.511 3.737 3.546 3.918 . 0 0 "[ . 1 . 2]" 1
207 1 18 VAL H 1 58 CYS HA 3.855 . 5.713 3.775 3.289 3.939 . 0 0 "[ . 1 . 2]" 1
208 1 18 VAL H 1 59 ARG H 3.639 . 5.295 3.629 3.303 4.007 . 0 0 "[ . 1 . 2]" 1
209 1 18 VAL H 1 59 ARG HB2 3.808 . 5.621 5.152 4.568 6.126 0.505 3 1 "[ + . 1 . 2]" 1
210 1 18 VAL H 1 59 ARG QG 3.188 . 4.458 3.114 2.664 3.974 . 0 0 "[ . 1 . 2]" 1
211 1 18 VAL H 1 108 CYS HB3 5.459 . 9.183 5.172 4.717 5.747 . 0 0 "[ . 1 . 2]" 1
212 1 18 VAL HA 1 18 VAL HB 2.317 . 2.988 2.407 2.379 2.432 . 0 0 "[ . 1 . 2]" 1
213 1 18 VAL HA 1 18 VAL QG 2.637 . 3.506 2.351 2.322 2.393 . 0 0 "[ . 1 . 2]" 1
214 1 18 VAL HA 1 19 SER H 2.281 . 2.931 2.140 2.120 2.178 . 0 0 "[ . 1 . 2]" 1
215 1 18 VAL HA 1 19 SER HB2 5.441 . 9.142 4.807 4.438 5.679 . 0 0 "[ . 1 . 2]" 1
216 1 18 VAL HA 1 19 SER HB3 6.679 . 12.254 5.372 4.664 5.726 . 0 0 "[ . 1 . 2]" 1
217 1 18 VAL HB 1 19 SER H 3.505 . 5.041 4.278 4.165 4.336 . 0 0 "[ . 1 . 2]" 1
218 1 18 VAL HB 1 59 ARG HA 4.849 . 7.788 5.266 4.578 6.018 . 0 0 "[ . 1 . 2]" 1
219 1 18 VAL HB 1 59 ARG HD2 2.442 . 3.188 2.609 1.848 4.062 0.874 15 1 "[ . 1 + 2]" 1
220 1 18 VAL HB 1 59 ARG QG 2.022 . 2.533 2.715 2.008 4.173 1.640 15 5 "[ * . *1- + * 2]" 1
221 1 18 VAL QG 1 19 SER HA 3.542 . 5.110 3.602 3.527 3.656 . 0 0 "[ . 1 . 2]" 1
222 1 18 VAL QG 1 19 SER HB3 4.069 . 6.139 4.943 4.670 5.109 . 0 0 "[ . 1 . 2]" 1
223 1 18 VAL QG 1 57 LYS H 2.219 . 2.834 2.398 2.276 2.590 . 0 0 "[ . 1 . 2]" 1
224 1 18 VAL QG 1 57 LYS QB 1.595 . 1.913 2.090 1.916 2.220 0.307 6 0 "[ . 1 . 2]" 1
225 1 18 VAL QG 1 57 LYS HE3 3.971 . 5.942 4.866 4.221 5.451 . 0 0 "[ . 1 . 2]" 1
226 1 18 VAL QG 1 58 CYS H 4.257 . 6.522 4.329 3.893 4.707 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL QG 1 59 ARG HA 3.542 . 5.111 3.773 3.339 4.370 . 0 0 "[ . 1 . 2]" 1
228 1 18 VAL QG 1 59 ARG HB2 2.266 . 6.000 4.110 3.567 4.522 . 0 0 "[ . 1 . 2]" 1
229 1 18 VAL QG 1 59 ARG HB3 3.413 . 4.869 3.755 2.197 4.631 . 0 0 "[ . 1 . 2]" 1
230 1 18 VAL QG 1 59 ARG HD3 3.921 . 5.843 3.810 2.636 4.296 . 0 0 "[ . 1 . 2]" 1
231 1 18 VAL QG 1 59 ARG QG 2.327 . 3.004 2.495 2.115 3.728 0.724 15 1 "[ . 1 + 2]" 1
232 1 19 SER H 1 19 SER HB2 3.003 . 4.130 2.771 2.481 3.644 . 0 0 "[ . 1 . 2]" 1
233 1 19 SER H 1 19 SER HB3 4.104 . 6.209 3.377 2.643 3.684 . 0 0 "[ . 1 . 2]" 1
234 1 19 SER H 1 20 VAL H 3.808 . 5.620 4.379 4.148 4.472 . 0 0 "[ . 1 . 2]" 1
235 1 19 SER H 1 20 VAL MG2 2.525 . 6.000 4.059 3.437 4.250 . 0 0 "[ . 1 . 2]" 1
236 1 19 SER H 1 56 THR HA 3.564 . 5.152 4.227 4.081 4.393 . 0 0 "[ . 1 . 2]" 1
237 1 19 SER H 1 56 THR MG 2.932 . 6.000 3.589 3.342 3.907 . 0 0 "[ . 1 . 2]" 1
238 1 19 SER H 1 57 LYS H 4.050 . 6.100 4.825 4.718 4.904 . 0 0 "[ . 1 . 2]" 1
239 1 19 SER HA 1 20 VAL H 2.438 . 3.181 2.137 2.121 2.157 . 0 0 "[ . 1 . 2]" 1
240 1 19 SER HA 1 20 VAL HB 5.149 . 8.463 4.620 4.551 4.676 . 0 0 "[ . 1 . 2]" 1
241 1 19 SER HA 1 20 VAL MG2 3.561 . 5.147 3.550 3.416 3.708 . 0 0 "[ . 1 . 2]" 1
242 1 19 SER HA 1 55 GLU H 4.723 . 7.511 4.601 4.446 4.854 . 0 0 "[ . 1 . 2]" 1
243 1 19 SER HA 1 56 THR HA 3.269 . 4.604 1.976 1.876 2.234 0.058 1 0 "[ . 1 . 2]" 1
244 1 19 SER HA 1 57 LYS H 3.953 . 5.906 3.543 3.398 3.743 . 0 0 "[ . 1 . 2]" 1
245 1 19 SER HB2 1 20 VAL H 4.441 . 6.906 4.157 3.442 4.470 . 0 0 "[ . 1 . 2]" 1
246 1 19 SER HB2 1 20 VAL HA 4.660 . 7.375 4.959 4.589 5.857 . 0 0 "[ . 1 . 2]" 1
247 1 19 SER HB2 1 20 VAL MG2 4.306 . 6.624 5.052 4.844 5.395 . 0 0 "[ . 1 . 2]" 1
248 1 19 SER HB3 1 20 VAL H 3.298 . 4.658 3.736 3.357 4.346 . 0 0 "[ . 1 . 2]" 1
249 1 19 SER HB3 1 20 VAL MG2 4.001 . 6.002 5.083 4.668 5.398 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL H 1 20 VAL HA 2.861 . 3.884 2.949 2.944 2.954 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL H 1 20 VAL HB 2.741 . 3.680 2.653 2.608 2.732 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL H 1 20 VAL MG1 3.010 . 4.142 3.860 3.839 3.895 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL H 1 20 VAL MG2 2.263 . 2.903 2.642 2.582 2.817 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL H 1 21 TRP H 3.820 . 5.644 4.398 4.351 4.426 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL H 1 21 TRP HA 4.521 . 7.076 4.906 4.813 4.943 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL H 1 22 VAL QG 3.995 . 5.990 4.456 3.889 4.832 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL H 1 54 PHE HA 4.519 . 7.071 4.376 4.189 4.802 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL H 1 55 GLU H 2.767 . 3.724 3.051 2.858 3.273 . 0 0 "[ . 1 . 2]" 1
259 1 20 VAL H 1 55 GLU HA 3.846 . 5.694 4.601 4.504 4.758 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL H 1 55 GLU HB3 4.877 . 7.851 4.760 4.336 5.049 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL H 1 56 THR HA 3.684 . 5.380 3.187 2.928 3.390 . 0 0 "[ . 1 . 2]" 1
262 1 20 VAL HA 1 20 VAL HB 2.438 . 3.181 3.021 3.020 3.025 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL HA 1 20 VAL MG1 2.491 . 3.267 2.382 2.365 2.421 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL HA 1 20 VAL MG2 2.218 . 2.833 2.423 2.391 2.445 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL HA 1 21 TRP H 2.281 . 2.931 2.186 2.163 2.206 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL HA 1 55 GLU H 3.387 . 4.821 4.764 4.654 4.890 0.069 9 0 "[ . 1 . 2]" 1
267 1 20 VAL HB 1 21 TRP H 2.818 . 3.810 4.033 3.975 4.067 0.257 15 0 "[ . 1 . 2]" 1
268 1 20 VAL HB 1 21 TRP HA 4.331 . 6.676 4.766 4.675 4.927 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL HB 1 21 TRP HB3 5.021 . 8.172 6.828 6.780 6.886 . 0 0 "[ . 1 . 2]" 1
270 1 20 VAL HB 1 22 VAL QG 2.321 . 2.994 2.813 2.475 3.194 0.200 20 0 "[ . 1 . 2]" 1
271 1 20 VAL MG1 1 21 TRP H 2.257 . 2.894 2.494 2.420 2.543 . 0 0 "[ . 1 . 2]" 1
272 1 20 VAL MG1 1 22 VAL HA 2.295 . 2.953 3.071 2.830 3.348 0.395 6 0 "[ . 1 . 2]" 1
273 1 20 VAL MG1 1 22 VAL HB 3.383 . 4.813 4.432 4.252 4.660 . 0 0 "[ . 1 . 2]" 1
274 1 20 VAL MG1 1 22 VAL QG 1.311 . 6.000 2.232 1.965 2.590 . 0 0 "[ . 1 . 2]" 1
275 1 20 VAL MG1 1 55 GLU H 3.473 . 4.981 4.319 4.131 4.612 . 0 0 "[ . 1 . 2]" 1
276 1 20 VAL MG1 1 55 GLU HB2 4.044 . 6.088 4.209 3.701 4.622 . 0 0 "[ . 1 . 2]" 1
277 1 20 VAL MG1 1 55 GLU HG2 4.380 . 6.778 6.205 5.520 6.848 0.070 4 0 "[ . 1 . 2]" 1
278 1 20 VAL MG1 1 55 GLU HG3 3.487 . 5.007 4.956 4.432 5.601 0.594 4 1 "[ +. 1 . 2]" 1
279 1 20 VAL MG2 1 21 TRP H 3.173 . 4.432 4.011 3.919 4.042 . 0 0 "[ . 1 . 2]" 1
280 1 20 VAL MG2 1 22 VAL H 3.621 . 6.000 5.602 5.499 5.676 . 0 0 "[ . 1 . 2]" 1
281 1 20 VAL MG2 1 56 THR HA 3.401 . 4.847 4.203 3.743 4.899 0.052 2 0 "[ . 1 . 2]" 1
282 1 21 TRP H 1 21 TRP HB2 2.726 . 3.655 2.431 2.354 2.492 . 0 0 "[ . 1 . 2]" 1
283 1 21 TRP H 1 21 TRP HB3 3.582 . 5.185 3.644 3.594 3.681 . 0 0 "[ . 1 . 2]" 1
284 1 21 TRP H 1 21 TRP HD1 3.608 . 5.235 2.887 2.724 3.083 . 0 0 "[ . 1 . 2]" 1
285 1 21 TRP H 1 22 VAL H 3.555 . 5.135 4.088 4.043 4.145 . 0 0 "[ . 1 . 2]" 1
286 1 21 TRP H 1 53 PHE H 5.018 . 8.166 6.442 6.130 6.815 . 0 0 "[ . 1 . 2]" 1
287 1 21 TRP H 1 54 PHE HA 3.303 . 6.000 4.760 4.469 4.939 . 0 0 "[ . 1 . 2]" 1
288 1 21 TRP HA 1 21 TRP HB3 2.964 . 4.062 2.533 2.497 2.558 . 0 0 "[ . 1 . 2]" 1
289 1 21 TRP HA 1 21 TRP HD1 4.085 . 6.171 4.113 3.975 4.221 . 0 0 "[ . 1 . 2]" 1
290 1 21 TRP HA 1 21 TRP HE3 3.569 . 5.161 3.198 3.006 3.396 . 0 0 "[ . 1 . 2]" 1
291 1 21 TRP HA 1 21 TRP HZ3 5.778 . 9.950 5.274 5.096 5.457 . 0 0 "[ . 1 . 2]" 1
292 1 21 TRP HA 1 22 VAL H 2.492 . 3.268 2.163 2.134 2.191 . 0 0 "[ . 1 . 2]" 1
293 1 21 TRP HA 1 22 VAL HB 4.935 . 7.979 4.677 4.584 4.759 . 0 0 "[ . 1 . 2]" 1
294 1 21 TRP HA 1 22 VAL QG 3.781 . 5.568 3.624 3.521 3.665 . 0 0 "[ . 1 . 2]" 1
295 1 21 TRP HA 1 53 PHE H 3.733 . 5.474 3.934 3.561 4.302 . 0 0 "[ . 1 . 2]" 1
296 1 21 TRP HA 1 54 PHE H 3.299 . 4.660 4.500 4.287 4.765 0.105 14 0 "[ . 1 . 2]" 1
297 1 21 TRP HA 1 54 PHE HA 2.671 . 3.562 2.582 2.419 2.753 . 0 0 "[ . 1 . 2]" 1
298 1 21 TRP HA 1 54 PHE HD1 6.803 . 12.587 6.378 3.785 7.146 . 0 0 "[ . 1 . 2]" 1
299 1 21 TRP HA 1 55 GLU H 3.847 . 5.697 3.458 3.170 3.726 . 0 0 "[ . 1 . 2]" 1
300 1 21 TRP HB2 1 21 TRP HD1 3.256 . 4.581 2.672 2.632 2.723 . 0 0 "[ . 1 . 2]" 1
301 1 21 TRP HB2 1 22 VAL H 4.452 . 6.929 4.482 4.460 4.504 . 0 0 "[ . 1 . 2]" 1
302 1 21 TRP HB3 1 21 TRP HE3 3.184 . 4.451 2.591 2.533 2.650 . 0 0 "[ . 1 . 2]" 1
303 1 21 TRP HB3 1 21 TRP HZ3 6.211 . 11.033 4.974 4.930 5.023 . 0 0 "[ . 1 . 2]" 1
304 1 21 TRP HB3 1 22 VAL H 4.038 . 6.076 3.879 3.838 3.908 . 0 0 "[ . 1 . 2]" 1
305 1 21 TRP HB3 1 22 VAL QG 4.922 . 7.950 5.065 5.014 5.098 . 0 0 "[ . 1 . 2]" 1
306 1 21 TRP HB3 1 53 PHE H 3.957 . 5.914 4.386 3.960 4.789 . 0 0 "[ . 1 . 2]" 1
307 1 21 TRP HE3 1 22 VAL H 4.760 . 7.592 4.537 4.283 4.803 . 0 0 "[ . 1 . 2]" 1
308 1 21 TRP HE3 1 54 PHE H 3.616 . 5.251 4.123 3.843 4.756 . 0 0 "[ . 1 . 2]" 1
309 1 21 TRP HH2 2 31 ILE MD 5.000 . 5.000 4.610 2.674 6.182 1.182 15 2 "[ - . 1 + 2]" 1
310 1 21 TRP HZ2 1 54 PHE HB3 3.705 . 5.421 4.836 3.386 5.945 0.524 7 2 "[ . +- 1 . 2]" 1
311 1 21 TRP HZ2 2 31 ILE MD 5.000 . 5.000 4.868 3.814 6.806 1.806 15 3 "[ -* 1 + 2]" 1
312 1 22 VAL H 1 22 VAL HB 2.501 . 3.283 2.537 2.459 2.603 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL H 1 22 VAL QG 2.348 . 3.037 2.156 2.031 2.321 . 0 0 "[ . 1 . 2]" 1
314 1 22 VAL H 1 23 GLY H 4.377 . 6.772 4.416 4.295 4.569 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL H 1 23 GLY HA2 4.248 . 6.503 5.218 5.033 5.370 . 0 0 "[ . 1 . 2]" 1
316 1 22 VAL H 1 53 PHE H 3.029 . 4.176 2.916 2.721 3.176 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL H 1 53 PHE HA 4.179 . 6.362 4.566 4.444 4.671 . 0 0 "[ . 1 . 2]" 1
318 1 22 VAL H 1 53 PHE HB2 3.222 . 4.520 3.324 2.930 3.671 . 0 0 "[ . 1 . 2]" 1
319 1 22 VAL H 1 53 PHE HB3 4.426 . 6.875 4.540 4.207 4.875 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL H 1 53 PHE QD 5.020 . 8.169 4.545 3.946 5.029 . 0 0 "[ . 1 . 2]" 1
321 1 22 VAL H 1 54 PHE H 4.496 . 7.023 4.785 4.537 4.908 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL H 1 54 PHE HA 3.850 . 5.703 3.662 3.088 3.895 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL H 1 55 GLU H 3.805 . 5.615 3.601 3.251 3.865 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL H 1 55 GLU HG3 3.308 . 4.676 3.738 3.443 4.201 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL HA 1 22 VAL QG 2.329 . 3.007 2.134 2.128 2.141 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL HA 1 24 ASP H 3.816 . 5.636 3.499 3.173 4.520 . 0 0 "[ . 1 . 2]" 1
327 1 22 VAL HB 1 22 VAL QG 1.859 . 2.247 1.894 1.892 1.896 . 0 0 "[ . 1 . 2]" 1
328 1 22 VAL HB 1 24 ASP H 3.211 . 4.500 4.112 3.690 4.552 0.052 1 0 "[ . 1 . 2]" 1
329 1 22 VAL HB 1 52 TYR HB3 4.094 . 6.189 5.467 4.461 6.389 0.200 13 0 "[ . 1 . 2]" 1
330 1 22 VAL HB 1 53 PHE H 3.429 . 4.899 3.261 2.954 3.620 . 0 0 "[ . 1 . 2]" 1
331 1 22 VAL HB 1 53 PHE QD 4.771 . 7.616 3.040 2.350 3.656 . 0 0 "[ . 1 . 2]" 1
332 1 22 VAL MG1 1 22 VAL MG2 1.333 . 6.000 2.086 2.078 2.091 . 0 0 "[ . 1 . 2]" 1
333 1 22 VAL QG 1 24 ASP H 2.055 . 2.583 2.026 1.747 3.052 0.469 14 0 "[ . 1 . 2]" 1
334 1 22 VAL QG 1 24 ASP HB2 4.594 . 7.232 3.994 2.745 4.962 . 0 0 "[ . 1 . 2]" 1
335 1 22 VAL QG 1 25 LYS H . . 2.862 2.553 1.900 3.728 0.866 17 1 "[ . 1 . + 2]" 1
336 1 22 VAL QG 1 53 PHE H 3.871 . 5.648 3.777 3.604 3.972 . 0 0 "[ . 1 . 2]" 1
337 1 22 VAL QG 1 53 PHE HB2 4.144 . 6.291 3.217 2.825 3.729 . 0 0 "[ . 1 . 2]" 1
338 1 22 VAL QG 1 53 PHE QD 4.668 . 7.392 3.154 2.637 3.574 . 0 0 "[ . 1 . 2]" 1
339 1 22 VAL QG 1 55 GLU H 3.445 . 4.929 3.327 3.016 3.595 . 0 0 "[ . 1 . 2]" 1
340 1 22 VAL QG 1 55 GLU HG2 3.782 . 5.569 3.851 2.937 4.229 . 0 0 "[ . 1 . 2]" 1
341 1 22 VAL QG 1 55 GLU HG3 2.572 . 3.399 2.557 2.177 3.152 . 0 0 "[ . 1 . 2]" 1
342 1 23 GLY HA2 1 24 ASP H 3.264 . 4.596 3.175 2.522 3.514 . 0 0 "[ . 1 . 2]" 1
343 1 23 GLY HA2 1 25 LYS H 3.897 . 5.795 4.297 3.412 5.521 . 0 0 "[ . 1 . 2]" 1
344 1 23 GLY HA3 1 24 ASP H 4.040 . 6.080 3.307 2.930 3.540 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLY HA3 1 53 PHE H 4.892 . 7.883 4.979 4.332 5.661 . 0 0 "[ . 1 . 2]" 1
346 1 24 ASP H 1 24 ASP HA 2.718 . 3.642 2.881 2.264 2.945 . 0 0 "[ . 1 . 2]" 1
347 1 24 ASP H 1 24 ASP HB2 3.741 . 5.491 3.077 2.446 3.828 . 0 0 "[ . 1 . 2]" 1
348 1 24 ASP H 1 24 ASP HB3 3.071 . 4.250 3.434 2.774 4.111 . 0 0 "[ . 1 . 2]" 1
349 1 24 ASP H 1 25 LYS H 2.424 . 3.159 2.781 2.031 3.804 0.645 17 1 "[ . 1 . + 2]" 1
350 1 24 ASP H 1 53 PHE H 4.040 . 6.081 5.084 2.964 5.903 . 0 0 "[ . 1 . 2]" 1
351 1 24 ASP HA 1 25 LYS H 2.810 . 3.797 2.730 2.161 3.452 . 0 0 "[ . 1 . 2]" 1
352 1 24 ASP HA 1 25 LYS HA 4.153 . 6.309 4.607 4.363 5.125 . 0 0 "[ . 1 . 2]" 1
353 1 24 ASP HB3 1 25 LYS H 4.083 . 6.167 4.394 4.193 4.519 . 0 0 "[ . 1 . 2]" 1
354 1 25 LYS H 1 25 LYS HA 2.839 . 3.847 2.852 2.273 2.938 . 0 0 "[ . 1 . 2]" 1
355 1 25 LYS H 1 25 LYS HB2 2.516 . 3.307 2.632 2.368 3.632 0.325 18 0 "[ . 1 . 2]" 1
356 1 25 LYS H 1 25 LYS HB3 2.240 . 2.867 2.659 2.494 3.753 0.886 14 1 "[ . 1 +. 2]" 1
357 1 25 LYS H 1 25 LYS HD2 4.127 . 6.256 4.903 4.705 5.358 . 0 0 "[ . 1 . 2]" 1
358 1 25 LYS H 1 25 LYS HD3 4.579 . 7.200 5.115 4.376 5.938 . 0 0 "[ . 1 . 2]" 1
359 1 25 LYS H 1 25 LYS QE 5.713 . 8.535 5.952 4.392 6.170 . 0 0 "[ . 1 . 2]" 1
360 1 25 LYS H 1 25 LYS HG3 4.426 . 6.875 4.396 3.424 4.700 . 0 0 "[ . 1 . 2]" 1
361 1 25 LYS H 1 38 VAL QG 3.270 . 4.607 4.156 3.297 5.368 0.761 18 1 "[ . 1 . + 2]" 1
362 1 25 LYS H 1 53 PHE QD 5.170 . 8.511 3.440 2.623 4.881 . 0 0 "[ . 1 . 2]" 1
363 1 25 LYS HA 1 25 LYS HB3 2.764 . 3.719 2.997 2.538 3.030 . 0 0 "[ . 1 . 2]" 1
364 1 25 LYS HA 1 25 LYS HD2 4.626 . 7.301 4.328 4.201 4.650 . 0 0 "[ . 1 . 2]" 1
365 1 25 LYS HA 1 25 LYS HD3 4.634 . 7.318 4.700 4.617 4.870 . 0 0 "[ . 1 . 2]" 1
366 1 25 LYS HA 1 25 LYS HG3 3.831 . 5.665 2.540 2.317 3.647 . 0 0 "[ . 1 . 2]" 1
367 1 25 LYS HA 1 26 THR H 2.548 . 3.359 2.310 2.166 3.374 0.015 7 0 "[ . 1 . 2]" 1
368 1 25 LYS HA 1 27 THR H 4.266 . 6.540 3.972 3.382 5.091 . 0 0 "[ . 1 . 2]" 1
369 1 25 LYS HB2 1 25 LYS HD3 2.944 . 4.027 3.098 2.899 3.740 . 0 0 "[ . 1 . 2]" 1
370 1 25 LYS HB2 1 25 LYS HG3 1.941 . 2.412 2.476 2.442 2.534 0.122 14 0 "[ . 1 . 2]" 1
371 1 25 LYS HB2 1 26 THR H 3.709 . 5.428 4.241 2.780 4.581 . 0 0 "[ . 1 . 2]" 1
372 1 25 LYS HB3 1 25 LYS HD3 2.609 . 3.460 2.640 2.521 3.645 0.185 11 0 "[ . 1 . 2]" 1
373 1 25 LYS HB3 1 25 LYS HG3 2.843 . 3.854 3.009 3.004 3.013 . 0 0 "[ . 1 . 2]" 1
374 1 25 LYS HD2 1 25 LYS QE 3.212 . 4.501 2.340 2.176 2.384 . 0 0 "[ . 1 . 2]" 1
375 1 25 LYS HD2 1 25 LYS HG3 1.959 . 2.439 2.517 2.461 3.009 0.570 11 1 "[ . 1+ . 2]" 1
376 1 25 LYS HD3 1 25 LYS QE 3.186 . 4.356 2.244 2.177 2.366 . 0 0 "[ . 1 . 2]" 1
377 1 25 LYS HD3 1 26 THR H 4.883 . 7.863 5.449 3.451 6.071 . 0 0 "[ . 1 . 2]" 1
378 1 25 LYS QE 1 25 LYS HG3 . . 3.777 2.678 2.330 2.890 . 0 0 "[ . 1 . 2]" 1
379 1 25 LYS QE 1 102 ILE MD 2.884 . 3.924 3.378 2.832 6.198 2.274 14 1 "[ . 1 +. 2]" 1
380 1 25 LYS HG3 1 27 THR H 3.024 . 4.167 3.749 3.138 4.668 0.501 14 1 "[ . 1 +. 2]" 1
381 1 26 THR H 1 26 THR HA 2.602 . 3.448 2.879 2.233 2.943 . 0 0 "[ . 1 . 2]" 1
382 1 26 THR H 1 26 THR HB 2.779 . 3.744 3.001 2.607 4.064 0.320 7 0 "[ . 1 . 2]" 1
383 1 26 THR H 1 26 THR MG 2.435 . 3.176 2.252 1.964 3.984 0.808 14 1 "[ . 1 +. 2]" 1
384 1 26 THR H 1 27 THR H 2.217 . 2.831 2.354 2.035 3.663 0.832 7 1 "[ . + 1 . 2]" 1
385 1 26 THR H 1 38 VAL QG 4.309 . 6.630 4.381 3.541 5.037 . 0 0 "[ . 1 . 2]" 1
386 1 26 THR HA 1 26 THR HB 2.545 . 3.354 2.487 2.420 3.025 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR HA 1 26 THR MG 3.120 . 4.337 3.036 2.254 3.221 . 0 0 "[ . 1 . 2]" 1
388 1 26 THR HA 1 27 THR H 2.638 . 3.508 3.458 3.238 3.576 0.068 7 0 "[ . 1 . 2]" 1
389 1 26 THR HA 1 38 VAL H 2.929 . 4.001 3.358 3.087 3.709 . 0 0 "[ . 1 . 2]" 1
390 1 26 THR HA 1 38 VAL HB 3.223 . 4.522 3.243 2.608 4.051 . 0 0 "[ . 1 . 2]" 1
391 1 26 THR HB 1 26 THR MG 2.084 . 2.627 2.132 2.126 2.136 . 0 0 "[ . 1 . 2]" 1
392 1 26 THR HB 1 27 THR H 3.627 . 5.271 4.001 2.403 4.408 . 0 0 "[ . 1 . 2]" 1
393 1 26 THR MG 1 27 THR H 2.642 . 3.515 2.822 2.100 4.005 0.490 13 0 "[ . 1 . 2]" 1
394 1 27 THR H 1 27 THR HA 2.571 . 3.397 2.921 2.911 2.934 . 0 0 "[ . 1 . 2]" 1
395 1 27 THR H 1 27 THR HB 3.349 . 4.751 3.765 3.724 3.816 . 0 0 "[ . 1 . 2]" 1
396 1 27 THR H 1 27 THR MG 2.571 . 3.397 3.387 3.247 3.516 0.119 12 0 "[ . 1 . 2]" 1
397 1 27 THR H 1 28 ALA H 3.974 . 5.948 4.334 4.264 4.409 . 0 0 "[ . 1 . 2]" 1
398 1 27 THR H 1 37 THR HA 3.674 . 5.362 4.822 4.691 4.976 . 0 0 "[ . 1 . 2]" 1
399 1 27 THR H 1 38 VAL H 3.392 . 4.831 3.985 3.750 4.441 . 0 0 "[ . 1 . 2]" 1
400 1 27 THR H 1 38 VAL HB 3.278 . 4.621 3.960 3.610 4.711 0.090 14 0 "[ . 1 . 2]" 1
401 1 27 THR H 1 38 VAL QG 3.297 . 4.656 3.605 3.296 3.909 . 0 0 "[ . 1 . 2]" 1
402 1 27 THR HA 1 27 THR HB 2.622 . 3.481 2.604 2.557 2.642 . 0 0 "[ . 1 . 2]" 1
403 1 27 THR HA 1 27 THR MG 2.287 . 2.941 2.225 2.194 2.258 . 0 0 "[ . 1 . 2]" 1
404 1 27 THR HA 1 28 ALA H 2.151 . 2.729 2.194 2.153 2.247 . 0 0 "[ . 1 . 2]" 1
405 1 27 THR HA 1 28 ALA MB 3.576 . 5.174 3.936 3.878 3.992 . 0 0 "[ . 1 . 2]" 1
406 1 27 THR HA 1 36 VAL H 4.364 . 6.745 4.463 4.322 4.611 . 0 0 "[ . 1 . 2]" 1
407 1 27 THR HA 1 37 THR H 3.933 . 5.866 4.754 4.645 4.887 . 0 0 "[ . 1 . 2]" 1
408 1 27 THR HA 1 37 THR HA 3.351 . 4.755 2.487 2.372 2.647 . 0 0 "[ . 1 . 2]" 1
409 1 27 THR HA 1 38 VAL H 3.170 . 4.426 2.571 2.294 2.798 . 0 0 "[ . 1 . 2]" 1
410 1 27 THR HA 1 38 VAL QG . . 4.622 2.649 2.397 2.885 . 0 0 "[ . 1 . 2]" 1
411 1 27 THR HB 1 27 THR MG 2.042 . 2.563 2.131 2.129 2.134 . 0 0 "[ . 1 . 2]" 1
412 1 27 THR HB 1 28 ALA H 2.760 . 3.712 2.979 2.815 3.199 . 0 0 "[ . 1 . 2]" 1
413 1 27 THR HB 1 28 ALA HA 3.828 . 5.659 4.037 3.900 4.199 . 0 0 "[ . 1 . 2]" 1
414 1 27 THR HB 1 35 GLU HA 3.949 . 5.899 4.992 4.677 5.357 . 0 0 "[ . 1 . 2]" 1
415 1 27 THR HB 1 35 GLU HB3 5.606 . 9.535 5.642 5.257 6.193 . 0 0 "[ . 1 . 2]" 1
416 1 27 THR HB 1 35 GLU HG3 3.052 . 4.217 2.984 2.579 3.412 . 0 0 "[ . 1 . 2]" 1
417 1 27 THR HB 1 37 THR HA 4.346 . 6.707 4.521 4.112 4.841 . 0 0 "[ . 1 . 2]" 1
418 1 27 THR HB 1 38 VAL H 5.089 . 8.326 5.155 4.925 5.359 . 0 0 "[ . 1 . 2]" 1
419 1 27 THR HB 1 38 VAL QG 4.291 . 6.593 4.565 4.366 4.721 . 0 0 "[ . 1 . 2]" 1
420 1 27 THR MG 1 28 ALA H 3.293 . 4.648 3.458 3.290 3.626 . 0 0 "[ . 1 . 2]" 1
421 1 27 THR MG 1 35 GLU HG2 2.894 . 3.941 3.194 2.836 4.304 0.363 4 0 "[ . 1 . 2]" 1
422 1 27 THR MG 1 35 GLU HG3 2.925 . 3.995 3.539 3.027 3.934 . 0 0 "[ . 1 . 2]" 1
423 1 27 THR MG 1 36 VAL H 3.518 . 5.065 4.408 4.133 4.745 . 0 0 "[ . 1 . 2]" 1
424 1 27 THR MG 1 38 VAL H 2.902 . 3.954 3.678 3.439 3.889 . 0 0 "[ . 1 . 2]" 1
425 1 28 ALA H 1 28 ALA HA 2.713 . 3.633 2.912 2.892 2.931 . 0 0 "[ . 1 . 2]" 1
426 1 28 ALA H 1 28 ALA MB 2.110 . 2.667 2.695 2.627 2.752 0.085 4 0 "[ . 1 . 2]" 1
427 1 28 ALA H 1 35 GLU HG3 4.661 . 7.376 3.885 3.496 4.205 . 0 0 "[ . 1 . 2]" 1
428 1 28 ALA H 1 36 VAL H 2.795 . 3.772 2.854 2.738 2.944 . 0 0 "[ . 1 . 2]" 1
429 1 28 ALA H 1 36 VAL HA 3.269 . 4.605 4.740 4.673 4.808 0.203 19 0 "[ . 1 . 2]" 1
430 1 28 ALA H 1 36 VAL QG 3.314 . 6.000 2.979 2.735 3.335 . 0 0 "[ . 1 . 2]" 1
431 1 28 ALA H 1 38 VAL H 3.848 . 5.699 3.932 3.689 4.238 . 0 0 "[ . 1 . 2]" 1
432 1 28 ALA H 1 38 VAL QG 2.463 . 3.221 2.627 2.466 2.977 . 0 0 "[ . 1 . 2]" 1
433 1 28 ALA HA 1 28 ALA MB 2.180 . 2.774 2.126 2.118 2.129 . 0 0 "[ . 1 . 2]" 1
434 1 28 ALA HA 1 29 THR H 2.439 . 3.183 2.407 2.313 2.491 . 0 0 "[ . 1 . 2]" 1
435 1 28 ALA HA 1 29 THR HB 4.503 . 7.038 4.886 4.683 5.037 . 0 0 "[ . 1 . 2]" 1
436 1 28 ALA HA 1 38 VAL QG 3.536 . 5.099 3.821 3.654 4.180 . 0 0 "[ . 1 . 2]" 1
437 1 28 ALA HA 1 102 ILE MD 3.853 . 5.708 4.370 4.229 4.546 . 0 0 "[ . 1 . 2]" 1
438 1 28 ALA HA 1 102 ILE MG 4.046 . 6.092 4.584 4.307 4.690 . 0 0 "[ . 1 . 2]" 1
439 1 28 ALA MB 1 29 THR H 2.084 . 2.627 2.361 2.221 2.585 . 0 0 "[ . 1 . 2]" 1
440 1 28 ALA MB 1 29 THR HB 4.118 . 6.238 4.566 4.416 4.772 . 0 0 "[ . 1 . 2]" 1
441 1 28 ALA MB 1 36 VAL H 3.344 . 4.741 4.080 3.857 4.189 . 0 0 "[ . 1 . 2]" 1
442 1 28 ALA MB 1 38 VAL QG 1.321 . 6.000 1.975 1.823 2.388 . 0 0 "[ . 1 . 2]" 1
443 1 28 ALA MB 1 102 ILE MD 1.481 . 6.000 2.023 1.902 2.150 . 0 0 "[ . 1 . 2]" 1
444 1 28 ALA MB 1 102 ILE MG 1.694 . 2.053 2.148 1.995 2.280 0.227 2 0 "[ . 1 . 2]" 1
445 1 28 ALA MB 1 103 ARG H 3.136 . 4.365 3.644 3.367 3.906 . 0 0 "[ . 1 . 2]" 1
446 1 29 THR H 1 29 THR HB 2.418 . 3.149 2.654 2.551 2.754 . 0 0 "[ . 1 . 2]" 1
447 1 29 THR H 1 29 THR MG 3.306 . 4.672 3.828 3.806 3.890 . 0 0 "[ . 1 . 2]" 1
448 1 29 THR H 1 30 ASP H 4.234 . 6.475 4.345 4.277 4.397 . 0 0 "[ . 1 . 2]" 1
449 1 29 THR H 1 36 VAL H 4.101 . 6.203 4.869 4.742 4.951 . 0 0 "[ . 1 . 2]" 1
450 1 29 THR H 1 36 VAL QG 4.225 . 6.456 4.447 3.899 4.890 . 0 0 "[ . 1 . 2]" 1
451 1 29 THR H 1 102 ILE MD 4.155 . 6.313 4.634 4.373 4.908 . 0 0 "[ . 1 . 2]" 1
452 1 29 THR H 1 102 ILE MG 3.004 . 4.132 3.976 3.685 4.098 . 0 0 "[ . 1 . 2]" 1
453 1 29 THR H 1 103 ARG HB3 4.869 . 7.832 5.384 4.906 5.693 . 0 0 "[ . 1 . 2]" 1
454 1 29 THR HA 1 29 THR MG 2.429 . 3.167 2.310 2.249 2.369 . 0 0 "[ . 1 . 2]" 1
455 1 29 THR HA 1 30 ASP H 2.189 . 2.788 2.112 2.085 2.137 . 0 0 "[ . 1 . 2]" 1
456 1 29 THR HA 1 35 GLU HA 3.108 . 4.316 2.426 2.077 2.698 . 0 0 "[ . 1 . 2]" 1
457 1 29 THR HA 1 36 VAL H 3.349 . 4.751 3.322 3.137 3.521 . 0 0 "[ . 1 . 2]" 1
458 1 29 THR HA 1 102 ILE MD 5.156 . 8.479 4.966 4.824 5.155 . 0 0 "[ . 1 . 2]" 1
459 1 29 THR HB 1 29 THR MG 1.984 . 2.476 2.135 2.131 2.137 . 0 0 "[ . 1 . 2]" 1
460 1 29 THR HB 1 30 ASP H 3.935 . 5.871 4.175 4.066 4.242 . 0 0 "[ . 1 . 2]" 1
461 1 29 THR HB 1 30 ASP HB3 4.852 . 7.794 6.179 6.045 6.326 . 0 0 "[ . 1 . 2]" 1
462 1 29 THR HB 1 103 ARG HB3 5.069 . 8.281 4.221 3.884 4.616 . 0 0 "[ . 1 . 2]" 1
463 1 29 THR MG 1 30 ASP H 2.459 . 3.215 2.873 2.808 2.955 . 0 0 "[ . 1 . 2]" 1
464 1 29 THR MG 1 33 GLY H 2.685 . 3.586 3.213 2.936 3.560 . 0 0 "[ . 1 . 2]" 1
465 1 29 THR MG 1 33 GLY HA2 2.173 . 2.763 2.340 2.199 2.765 0.002 15 0 "[ . 1 . 2]" 1
466 1 29 THR MG 1 33 GLY HA3 4.026 . 6.053 3.710 3.543 4.186 . 0 0 "[ . 1 . 2]" 1
467 1 29 THR MG 1 34 LYS H 2.877 . 3.912 3.271 2.890 3.618 . 0 0 "[ . 1 . 2]" 1
468 1 29 THR MG 1 35 GLU H 3.829 . 5.662 4.188 3.520 5.027 . 0 0 "[ . 1 . 2]" 1
469 1 29 THR MG 1 35 GLU HB3 3.878 . 6.000 5.230 4.702 5.788 . 0 0 "[ . 1 . 2]" 1
470 1 29 THR MG 1 103 ARG H 3.983 . 5.966 4.479 4.282 4.686 . 0 0 "[ . 1 . 2]" 1
471 1 29 THR MG 1 103 ARG HB3 3.915 . 5.831 4.797 4.591 4.984 . 0 0 "[ . 1 . 2]" 1
472 1 30 ASP H 1 30 ASP HB2 2.913 . 3.974 2.587 2.407 2.671 . 0 0 "[ . 1 . 2]" 1
473 1 30 ASP H 1 30 ASP HB3 2.624 . 3.484 2.454 2.380 2.593 . 0 0 "[ . 1 . 2]" 1
474 1 30 ASP H 1 31 ILE H 4.676 . 7.409 4.620 4.595 4.641 . 0 0 "[ . 1 . 2]" 1
475 1 30 ASP H 1 32 LYS H 4.654 . 7.362 4.877 4.749 4.990 . 0 0 "[ . 1 . 2]" 1
476 1 30 ASP H 1 33 GLY H 3.708 . 5.427 4.152 4.029 4.395 . 0 0 "[ . 1 . 2]" 1
477 1 30 ASP H 1 34 LYS H 2.941 . 4.023 3.150 2.976 3.311 . 0 0 "[ . 1 . 2]" 1
478 1 30 ASP H 1 34 LYS QB . . 3.160 3.373 3.103 3.627 0.467 6 0 "[ . 1 . 2]" 1
479 1 30 ASP H 1 35 GLU H 3.974 . 5.948 4.744 4.621 4.864 . 0 0 "[ . 1 . 2]" 1
480 1 30 ASP H 1 35 GLU HA 3.265 . 4.598 3.500 3.328 3.734 . 0 0 "[ . 1 . 2]" 1
481 1 30 ASP H 1 36 VAL H 3.665 . 5.344 3.793 3.584 3.945 . 0 0 "[ . 1 . 2]" 1
482 1 30 ASP H 1 36 VAL QG 2.674 . 3.568 2.884 2.733 3.011 . 0 0 "[ . 1 . 2]" 1
483 1 30 ASP H 1 102 ILE MG 2.877 . 3.911 3.445 3.185 3.870 . 0 0 "[ . 1 . 2]" 1
484 1 30 ASP HA 1 31 ILE H 2.896 . 3.944 2.395 2.326 2.448 . 0 0 "[ . 1 . 2]" 1
485 1 30 ASP HA 1 32 LYS H 4.276 . 6.562 4.128 3.925 4.238 . 0 0 "[ . 1 . 2]" 1
486 1 30 ASP HA 1 36 VAL QG 3.652 . 5.319 3.686 3.223 4.212 . 0 0 "[ . 1 . 2]" 1
487 1 30 ASP HA 1 102 ILE HA 3.530 . 5.088 2.206 2.049 2.660 . 0 0 "[ . 1 . 2]" 1
488 1 30 ASP HA 1 102 ILE HB 4.510 . 7.052 4.077 3.807 4.323 . 0 0 "[ . 1 . 2]" 1
489 1 30 ASP HA 1 102 ILE HG12 4.618 . 7.283 5.301 5.041 5.660 . 0 0 "[ . 1 . 2]" 1
490 1 30 ASP HA 1 102 ILE MG 2.815 . 3.805 2.472 2.167 2.739 . 0 0 "[ . 1 . 2]" 1
491 1 30 ASP HA 1 103 ARG H 3.855 . 5.713 3.794 3.631 4.221 . 0 0 "[ . 1 . 2]" 1
492 1 30 ASP HB3 1 31 ILE H 3.617 . 5.252 3.673 3.595 3.755 . 0 0 "[ . 1 . 2]" 1
493 1 30 ASP HB3 1 32 LYS QB 2.588 . 3.425 3.388 2.820 3.627 0.202 20 0 "[ . 1 . 2]" 1
494 1 30 ASP HB3 1 36 VAL QG 3.778 . 5.562 3.311 3.134 3.621 . 0 0 "[ . 1 . 2]" 1
495 1 30 ASP HB3 1 36 VAL QG 3.504 . 5.038 2.888 1.948 3.400 0.022 3 0 "[ . 1 . 2]" 1
496 1 30 ASP HB3 1 102 ILE MG 4.130 . 6.262 4.367 4.064 4.831 . 0 0 "[ . 1 . 2]" 1
497 1 31 ILE H 1 31 ILE HB 2.632 . 3.498 2.521 2.457 2.574 . 0 0 "[ . 1 . 2]" 1
498 1 31 ILE H 1 31 ILE MD 4.084 . 6.169 4.375 4.345 4.396 . 0 0 "[ . 1 . 2]" 1
499 1 31 ILE H 1 31 ILE HG12 3.956 . 5.912 4.484 4.470 4.504 . 0 0 "[ . 1 . 2]" 1
500 1 31 ILE H 1 31 ILE HG13 3.822 . 5.648 4.435 4.396 4.464 . 0 0 "[ . 1 . 2]" 1
501 1 31 ILE H 1 31 ILE MG 2.223 . 2.841 2.022 1.982 2.081 . 0 0 "[ . 1 . 2]" 1
502 1 31 ILE H 1 32 LYS H 2.780 . 3.746 2.685 2.582 2.762 . 0 0 "[ . 1 . 2]" 1
503 1 31 ILE H 1 32 LYS QG 3.092 . 4.287 4.052 3.896 4.182 . 0 0 "[ . 1 . 2]" 1
504 1 31 ILE H 1 33 GLY H 4.201 . 6.407 4.084 4.005 4.195 . 0 0 "[ . 1 . 2]" 1
505 1 31 ILE H 1 101 PHE HB2 4.461 . 6.948 3.271 2.819 3.943 . 0 0 "[ . 1 . 2]" 1
506 1 31 ILE H 1 102 ILE HA 4.607 . 7.260 3.637 3.378 3.849 . 0 0 "[ . 1 . 2]" 1
507 1 31 ILE H 1 102 ILE MG 3.794 . 5.594 4.341 4.097 4.567 . 0 0 "[ . 1 . 2]" 1
508 1 31 ILE HA 1 31 ILE MD 4.315 . 6.643 3.792 3.774 3.825 . 0 0 "[ . 1 . 2]" 1
509 1 31 ILE HA 1 31 ILE HG12 2.921 . 3.987 3.130 3.087 3.169 . 0 0 "[ . 1 . 2]" 1
510 1 31 ILE HA 1 31 ILE HG13 3.651 . 5.318 2.483 2.439 2.535 . 0 0 "[ . 1 . 2]" 1
511 1 31 ILE HA 1 31 ILE MG 3.454 . 4.945 3.214 3.209 3.217 . 0 0 "[ . 1 . 2]" 1
512 1 31 ILE HA 1 32 LYS H 3.206 . 4.491 3.464 3.427 3.495 . 0 0 "[ . 1 . 2]" 1
513 1 31 ILE HA 1 32 LYS QB 5.147 . 8.458 5.445 5.393 5.485 . 0 0 "[ . 1 . 2]" 1
514 1 31 ILE HA 1 33 GLY H 3.556 . 5.136 3.607 3.415 3.770 . 0 0 "[ . 1 . 2]" 1
515 1 31 ILE HB 1 31 ILE MD 2.450 . 3.200 2.409 2.393 2.433 . 0 0 "[ . 1 . 2]" 1
516 1 31 ILE HB 1 31 ILE HG12 2.887 . 3.929 3.028 3.025 3.030 . 0 0 "[ . 1 . 2]" 1
517 1 31 ILE HB 1 31 ILE MG 1.980 . 2.470 2.125 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
518 1 31 ILE HB 1 101 PHE HB3 3.146 . 4.384 3.343 2.701 3.922 . 0 0 "[ . 1 . 2]" 1
519 1 31 ILE HB 1 103 ARG HA 4.488 . 7.006 6.239 5.640 6.551 . 0 0 "[ . 1 . 2]" 1
520 1 31 ILE MD 1 31 ILE HG12 2.100 . 2.651 2.117 2.116 2.118 . 0 0 "[ . 1 . 2]" 1
521 1 31 ILE MD 1 31 ILE HG13 2.084 . 2.627 2.120 2.118 2.122 . 0 0 "[ . 1 . 2]" 1
522 1 31 ILE MD 1 31 ILE MG 1.969 . 2.454 1.935 1.913 1.952 . 0 0 "[ . 1 . 2]" 1
523 1 31 ILE MD 1 32 LYS H 4.288 . 6.587 4.898 4.782 5.018 . 0 0 "[ . 1 . 2]" 1
524 1 31 ILE MD 1 86 PHE HB3 3.833 . 5.669 3.858 3.455 4.255 . 0 0 "[ . 1 . 2]" 1
525 1 31 ILE MD 1 86 PHE HD1 5.056 . 8.252 4.302 3.592 4.729 . 0 0 "[ . 1 . 2]" 1
526 1 31 ILE MD 1 86 PHE HZ 4.435 . 6.893 4.618 4.298 4.924 . 0 0 "[ . 1 . 2]" 1
527 1 31 ILE MD 1 101 PHE HB3 2.834 . 3.838 3.951 3.486 4.404 0.566 8 2 "[ -. + 1 . 2]" 1
528 1 31 ILE MD 2 21 TRP HH2 5.000 . 5.000 4.607 2.666 6.199 1.199 15 2 "[ - . 1 + 2]" 1
529 1 31 ILE MD 2 21 TRP HZ2 5.000 . 5.000 4.864 3.817 6.824 1.824 15 3 "[ -* 1 + 2]" 1
530 1 31 ILE HG12 1 31 ILE MG 2.616 . 3.472 2.382 2.366 2.403 . 0 0 "[ . 1 . 2]" 1
531 1 31 ILE HG13 1 33 GLY H 5.207 . 8.596 5.576 5.398 5.782 . 0 0 "[ . 1 . 2]" 1
532 1 31 ILE HG13 1 86 PHE HE1 6.104 . 10.761 3.785 3.243 4.189 . 0 0 "[ . 1 . 2]" 1
533 1 31 ILE MG 1 32 LYS H 2.615 . 3.470 2.437 2.328 2.575 . 0 0 "[ . 1 . 2]" 1
534 1 31 ILE MG 1 32 LYS HA 4.034 . 6.068 3.436 3.384 3.509 . 0 0 "[ . 1 . 2]" 1
535 1 31 ILE MG 1 32 LYS QB 3.960 . 5.920 3.754 3.643 3.910 . 0 0 "[ . 1 . 2]" 1
536 1 31 ILE MG 1 32 LYS HD2 3.205 . 4.489 4.230 4.056 4.531 0.042 3 0 "[ . 1 . 2]" 1
537 1 31 ILE MG 1 32 LYS QG . . 2.536 2.205 2.064 2.462 . 0 0 "[ . 1 . 2]" 1
538 1 31 ILE MG 1 33 GLY H 4.580 . 7.202 4.282 4.235 4.360 . 0 0 "[ . 1 . 2]" 1
539 1 31 ILE MG 1 101 PHE H 3.373 . 4.795 3.476 3.325 3.813 . 0 0 "[ . 1 . 2]" 1
540 1 31 ILE MG 1 101 PHE HB3 2.670 . 3.561 3.637 3.318 3.825 0.264 16 0 "[ . 1 . 2]" 1
541 1 31 ILE MG 1 101 PHE HD1 4.801 . 7.682 4.132 2.279 5.523 . 0 0 "[ . 1 . 2]" 1
542 1 32 LYS H 1 32 LYS HA 2.783 . 3.751 2.886 2.864 2.910 . 0 0 "[ . 1 . 2]" 1
543 1 32 LYS H 1 32 LYS QB 2.027 . 2.541 2.432 2.385 2.492 . 0 0 "[ . 1 . 2]" 1
544 1 32 LYS H 1 32 LYS HD2 3.407 . 4.858 3.921 3.597 4.599 . 0 0 "[ . 1 . 2]" 1
545 1 32 LYS H 1 32 LYS HE3 4.835 . 7.757 4.925 4.125 5.936 . 0 0 "[ . 1 . 2]" 1
546 1 32 LYS H 1 32 LYS QG . . 2.668 2.241 2.074 2.377 . 0 0 "[ . 1 . 2]" 1
547 1 32 LYS H 1 33 GLY H 2.026 . 2.539 2.474 2.369 2.587 0.048 4 0 "[ . 1 . 2]" 1
548 1 32 LYS H 1 33 GLY HA2 4.622 . 7.292 4.829 4.756 4.913 . 0 0 "[ . 1 . 2]" 1
549 1 32 LYS H 1 33 GLY HA3 4.705 . 7.472 5.131 5.050 5.197 . 0 0 "[ . 1 . 2]" 1
550 1 32 LYS H 1 34 LYS H 3.323 . 4.703 3.527 3.412 3.621 . 0 0 "[ . 1 . 2]" 1
551 1 32 LYS H 1 34 LYS HA 5.353 . 8.935 6.338 6.207 6.488 . 0 0 "[ . 1 . 2]" 1
552 1 32 LYS H 1 34 LYS QG 3.468 . 4.971 4.181 3.903 4.488 . 0 0 "[ . 1 . 2]" 1
553 1 32 LYS HA 1 32 LYS HD2 3.065 . 6.000 4.557 3.022 4.668 . 0 0 "[ . 1 . 2]" 1
554 1 32 LYS HA 1 32 LYS HE3 4.848 . 7.786 5.478 4.869 6.204 . 0 0 "[ . 1 . 2]" 1
555 1 32 LYS HA 1 32 LYS QG 3.024 . 4.167 2.505 2.437 2.978 . 0 0 "[ . 1 . 2]" 1
556 1 32 LYS HA 1 33 GLY H 3.108 . 4.316 3.321 3.200 3.370 . 0 0 "[ . 1 . 2]" 1
557 1 32 LYS QB 1 32 LYS HD2 1.996 . 2.494 2.307 2.154 2.461 . 0 0 "[ . 1 . 2]" 1
558 1 32 LYS QB 1 32 LYS HE3 3.786 . 5.578 4.025 3.877 4.250 . 0 0 "[ . 1 . 2]" 1
559 1 32 LYS QB 1 32 LYS QG 2.416 . 3.146 2.080 2.000 2.087 . 0 0 "[ . 1 . 2]" 1
560 1 32 LYS QB 1 33 GLY H 2.979 . 4.088 3.263 3.144 3.487 . 0 0 "[ . 1 . 2]" 1
561 1 32 LYS QB 1 34 LYS H 2.842 . 3.852 3.179 2.938 3.493 . 0 0 "[ . 1 . 2]" 1
562 1 32 LYS HD2 1 34 LYS H 4.740 . 7.549 5.365 4.788 6.637 . 0 0 "[ . 1 . 2]" 1
563 1 32 LYS HE3 1 32 LYS QG 2.001 . 2.501 2.597 2.297 3.309 0.808 3 5 "[* + . 1- * * 2]" 1
564 1 32 LYS QG 1 33 GLY H 3.972 . 5.944 4.232 4.111 4.312 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLY H 1 33 GLY HA2 2.382 . 3.091 2.360 2.330 2.390 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLY H 1 34 LYS H 1.980 . 2.470 2.247 2.170 2.394 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLY HA2 1 34 LYS H 3.058 . 4.227 3.060 2.953 3.147 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLY HA3 1 34 LYS H 3.214 . 4.505 3.423 3.359 3.475 . 0 0 "[ . 1 . 2]" 1
569 1 34 LYS H 1 34 LYS HA 2.612 . 3.465 2.920 2.893 2.936 . 0 0 "[ . 1 . 2]" 1
570 1 34 LYS H 1 34 LYS QB . . 2.527 2.450 2.376 2.505 . 0 0 "[ . 1 . 2]" 1
571 1 34 LYS H 1 34 LYS HD3 2.913 . 3.974 3.851 3.675 4.850 0.876 6 1 "[ .+ 1 . 2]" 1
572 1 34 LYS H 1 34 LYS HE2 4.853 . 7.797 5.297 4.695 6.036 . 0 0 "[ . 1 . 2]" 1
573 1 34 LYS H 1 34 LYS HE3 5.008 . 8.142 5.375 4.670 5.959 . 0 0 "[ . 1 . 2]" 1
574 1 34 LYS H 1 34 LYS QG . . 2.687 2.497 2.276 2.636 . 0 0 "[ . 1 . 2]" 1
575 1 34 LYS H 1 35 GLU H 4.010 . 6.020 4.488 4.278 4.576 . 0 0 "[ . 1 . 2]" 1
576 1 34 LYS HA 1 34 LYS QB 2.983 . 4.095 2.360 2.337 2.389 . 0 0 "[ . 1 . 2]" 1
577 1 34 LYS HA 1 34 LYS HD3 2.688 . 3.591 2.288 2.105 4.421 0.830 6 1 "[ .+ 1 . 2]" 1
578 1 34 LYS HA 1 34 LYS HE2 5.163 . 8.495 4.575 4.326 5.354 . 0 0 "[ . 1 . 2]" 1
579 1 34 LYS HA 1 34 LYS HE3 6.292 . 11.241 4.752 4.405 6.204 . 0 0 "[ . 1 . 2]" 1
580 1 34 LYS HA 1 34 LYS QG 3.266 . 4.600 2.946 2.521 3.023 . 0 0 "[ . 1 . 2]" 1
581 1 34 LYS HA 1 35 GLU H 2.078 . 2.618 2.217 2.150 2.373 . 0 0 "[ . 1 . 2]" 1
582 1 34 LYS HA 1 35 GLU HB3 4.200 . 6.405 4.644 4.565 4.736 . 0 0 "[ . 1 . 2]" 1
583 1 34 LYS HA 1 35 GLU HG2 5.824 . 10.063 6.571 6.476 6.792 . 0 0 "[ . 1 . 2]" 1
584 1 34 LYS HA 1 35 GLU HG3 5.772 . 9.936 6.494 6.441 6.569 . 0 0 "[ . 1 . 2]" 1
585 1 34 LYS QB 1 34 LYS HD3 1.704 . 2.939 2.944 2.372 3.057 0.118 10 0 "[ . 1 . 2]" 1
586 1 34 LYS QB 1 34 LYS HE2 4.330 . 5.041 4.262 3.942 4.516 . 0 0 "[ . 1 . 2]" 1
587 1 34 LYS QB 1 34 LYS QG 2.300 . 2.687 1.998 1.989 2.081 . 0 0 "[ . 1 . 2]" 1
588 1 34 LYS QB 1 35 GLU H . . 2.284 2.981 2.411 3.480 1.196 4 15 "[***+.****** **. - **]" 1
589 1 34 LYS HD3 1 34 LYS HE2 1.889 . 2.335 2.534 2.384 3.010 0.675 6 4 "[ -+ * 1 . *]" 1
590 1 34 LYS HD3 1 34 LYS HE3 2.726 . 3.655 2.718 2.459 3.013 . 0 0 "[ . 1 . 2]" 1
591 1 34 LYS HE2 1 34 LYS QG 2.178 . 2.771 2.727 2.334 3.296 0.525 11 7 "[ * . -*+ * . ** 2]" 1
592 1 34 LYS HE3 1 34 LYS QG 3.046 . 4.206 2.545 2.303 3.303 . 0 0 "[ . 1 . 2]" 1
593 1 34 LYS QG 1 35 GLU H 3.703 . 5.417 4.566 4.162 4.809 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLU H 1 35 GLU HA 2.861 . 3.884 2.906 2.875 2.941 . 0 0 "[ . 1 . 2]" 1
595 1 35 GLU H 1 35 GLU HB3 2.023 . 2.534 2.486 2.414 2.593 0.059 1 0 "[ . 1 . 2]" 1
596 1 35 GLU H 1 35 GLU HG2 3.775 . 5.556 4.426 4.360 4.644 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLU H 1 35 GLU HG3 4.414 . 6.850 4.554 4.457 4.623 . 0 0 "[ . 1 . 2]" 1
598 1 35 GLU H 1 36 VAL H 3.863 . 5.728 4.372 4.278 4.420 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU H 1 36 VAL QG 3.570 . 5.163 3.910 3.684 4.115 . 0 0 "[ . 1 . 2]" 1
600 1 35 GLU HA 1 35 GLU HG2 3.546 . 5.118 3.272 3.100 3.753 . 0 0 "[ . 1 . 2]" 1
601 1 35 GLU HA 1 35 GLU HG3 2.849 . 3.864 2.618 2.513 2.976 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLU HB3 1 35 GLU HG2 2.144 . 2.719 2.408 2.304 2.458 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLU HB3 1 35 GLU HG3 2.589 . 3.427 2.932 2.475 3.010 . 0 0 "[ . 1 . 2]" 1
604 1 35 GLU HB3 1 36 VAL H 4.027 . 6.054 4.302 4.224 4.351 . 0 0 "[ . 1 . 2]" 1
605 1 35 GLU HB3 1 36 VAL QG 4.012 . 6.024 4.669 4.490 4.769 . 0 0 "[ . 1 . 2]" 1
606 1 35 GLU HG2 1 36 VAL H 3.524 . 5.076 3.667 3.372 4.810 . 0 0 "[ . 1 . 2]" 1
607 1 35 GLU HG3 1 36 VAL H 3.617 . 5.252 3.348 3.109 3.485 . 0 0 "[ . 1 . 2]" 1
608 1 36 VAL H 1 36 VAL HA 2.331 . 3.010 2.942 2.939 2.947 . 0 0 "[ . 1 . 2]" 1
609 1 36 VAL H 1 36 VAL HB 2.986 . 4.100 3.768 3.740 3.797 . 0 0 "[ . 1 . 2]" 1
610 1 36 VAL H 1 36 VAL QG 2.461 . 3.067 2.037 1.976 2.085 . 0 0 "[ . 1 . 2]" 1
611 1 36 VAL HA 1 36 VAL HB 2.981 . 4.092 2.490 2.443 2.542 . 0 0 "[ . 1 . 2]" 1
612 1 36 VAL HA 1 36 VAL QG 2.569 . 3.394 2.268 2.225 2.303 . 0 0 "[ . 1 . 2]" 1
613 1 36 VAL HA 1 37 THR H 2.309 . 2.976 2.284 2.214 2.352 . 0 0 "[ . 1 . 2]" 1
614 1 36 VAL HB 1 36 VAL QG 2.029 . 2.439 1.895 1.894 1.897 . 0 0 "[ . 1 . 2]" 1
615 1 36 VAL HB 1 37 THR H 2.280 . 2.930 2.583 2.419 2.758 . 0 0 "[ . 1 . 2]" 1
616 1 36 VAL HB 1 37 THR HB 4.577 . 7.196 4.730 4.525 4.921 . 0 0 "[ . 1 . 2]" 1
617 1 36 VAL HB 1 91 THR HB 2.824 . 3.821 2.384 2.070 2.859 . 0 0 "[ . 1 . 2]" 1
618 1 36 VAL HB 1 92 THR MG 4.590 . 7.224 4.812 4.443 5.317 . 0 0 "[ . 1 . 2]" 1
619 1 36 VAL MG1 1 36 VAL MG2 1.494 . 6.000 2.075 2.069 2.078 . 0 0 "[ . 1 . 2]" 1
620 1 36 VAL QG 1 37 THR H 3.296 . 4.298 3.234 3.147 3.305 . 0 0 "[ . 1 . 2]" 1
621 1 36 VAL QG 1 91 THR HB 3.184 . 4.451 2.560 2.195 3.068 . 0 0 "[ . 1 . 2]" 1
622 1 36 VAL QG 1 92 THR H 4.046 . 6.093 4.238 3.903 4.654 . 0 0 "[ . 1 . 2]" 1
623 1 36 VAL QG 1 93 ASP H 4.324 . 6.661 4.399 3.623 5.734 . 0 0 "[ . 1 . 2]" 1
624 1 36 VAL QG 1 93 ASP HB3 3.662 . 5.338 3.847 1.966 6.091 0.753 4 1 "[ +. 1 . 2]" 1
625 1 37 THR H 1 37 THR HA 2.303 . 2.966 2.892 2.880 2.910 . 0 0 "[ . 1 . 2]" 1
626 1 37 THR H 1 37 THR HB 2.238 . 2.864 2.554 2.510 2.591 . 0 0 "[ . 1 . 2]" 1
627 1 37 THR H 1 37 THR MG 3.174 . 4.433 3.779 3.764 3.801 . 0 0 "[ . 1 . 2]" 1
628 1 37 THR H 1 91 THR HA 3.942 . 5.884 5.153 4.870 5.572 . 0 0 "[ . 1 . 2]" 1
629 1 37 THR H 1 92 THR H 3.028 . 4.174 3.466 3.068 3.978 . 0 0 "[ . 1 . 2]" 1
630 1 37 THR H 1 92 THR HA 3.937 . 5.874 5.208 4.737 6.288 0.414 4 0 "[ . 1 . 2]" 1
631 1 37 THR H 1 92 THR MG 3.191 . 4.464 3.443 3.063 3.874 . 0 0 "[ . 1 . 2]" 1
632 1 37 THR HA 1 37 THR HB 2.801 . 3.782 3.020 3.014 3.023 . 0 0 "[ . 1 . 2]" 1
633 1 37 THR HA 1 37 THR MG 2.339 . 3.023 2.347 2.318 2.376 . 0 0 "[ . 1 . 2]" 1
634 1 37 THR HA 1 38 VAL H 2.217 . 2.831 2.136 2.117 2.163 . 0 0 "[ . 1 . 2]" 1
635 1 37 THR HA 1 39 LEU QD 3.433 . 4.907 5.215 4.876 5.594 0.687 14 3 "[ - .* 1 +. 2]" 1
636 1 37 THR HA 1 39 LEU HG 4.243 . 6.493 6.302 5.956 6.835 0.342 14 0 "[ . 1 . 2]" 1
637 1 37 THR HA 1 92 THR H 4.021 . 6.042 4.713 4.464 5.028 . 0 0 "[ . 1 . 2]" 1
638 1 37 THR HB 1 37 THR MG 1.753 . 2.137 2.134 2.133 2.137 . 0 0 "[ . 1 . 2]" 1
639 1 37 THR HB 1 38 VAL H 3.909 . 5.819 4.225 4.087 4.316 . 0 0 "[ . 1 . 2]" 1
640 1 37 THR HB 1 92 THR H 2.384 . 3.094 3.001 2.641 3.404 0.310 14 0 "[ . 1 . 2]" 1
641 1 38 VAL H 1 38 VAL HB 2.412 . 3.139 2.530 2.452 2.638 . 0 0 "[ . 1 . 2]" 1
642 1 38 VAL H 1 38 VAL QG 2.310 . 2.977 2.217 2.003 2.322 . 0 0 "[ . 1 . 2]" 1
643 1 38 VAL H 1 39 LEU QD 4.516 . 7.065 4.748 4.500 5.182 . 0 0 "[ . 1 . 2]" 1
644 1 38 VAL H 1 91 THR HA 4.208 . 6.421 4.985 4.705 5.376 . 0 0 "[ . 1 . 2]" 1
645 1 38 VAL H 1 91 THR MG 3.342 . 4.738 4.037 3.735 4.246 . 0 0 "[ . 1 . 2]" 1
646 1 38 VAL HA 1 38 VAL QG 2.411 . 3.137 2.133 2.124 2.151 . 0 0 "[ . 1 . 2]" 1
647 1 38 VAL HA 1 39 LEU H 2.748 . 3.692 2.177 2.118 2.219 . 0 0 "[ . 1 . 2]" 1
648 1 38 VAL HA 1 39 LEU HG 3.836 . 5.676 3.702 3.518 3.832 . 0 0 "[ . 1 . 2]" 1
649 1 38 VAL HA 1 91 THR HA 3.196 . 4.473 2.595 2.243 2.958 . 0 0 "[ . 1 . 2]" 1
650 1 38 VAL HA 1 92 THR H 3.944 . 5.889 3.794 3.506 4.010 . 0 0 "[ . 1 . 2]" 1
651 1 38 VAL HB 1 38 VAL QG 1.938 . 2.408 1.894 1.893 1.897 . 0 0 "[ . 1 . 2]" 1
652 1 38 VAL HB 1 39 LEU H 4.595 . 7.234 4.045 3.895 4.208 . 0 0 "[ . 1 . 2]" 1
653 1 38 VAL HB 1 39 LEU QD 4.609 . 7.264 5.264 5.062 5.530 . 0 0 "[ . 1 . 2]" 1
654 1 38 VAL HB 1 53 PHE HZ 4.879 . 7.855 4.922 3.994 5.301 . 0 0 "[ . 1 . 2]" 1
655 1 38 VAL HB 1 102 ILE MD 3.260 . 4.589 4.215 3.761 4.944 0.355 14 0 "[ . 1 . 2]" 1
656 1 38 VAL MG1 1 38 VAL MG2 1.670 . 2.019 2.080 2.074 2.092 0.073 14 0 "[ . 1 . 2]" 1
657 1 38 VAL QG 1 39 LEU H 2.618 . 3.475 2.469 2.269 2.689 . 0 0 "[ . 1 . 2]" 1
658 1 38 VAL QG 1 53 PHE HZ 3.105 . 4.310 2.369 2.055 2.668 . 0 0 "[ . 1 . 2]" 1
659 1 38 VAL QG 1 91 THR HA 3.877 . 5.756 3.660 3.358 3.904 . 0 0 "[ . 1 . 2]" 1
660 1 38 VAL QG 1 102 ILE MD 1.515 . 6.000 2.030 1.831 2.487 . 0 0 "[ . 1 . 2]" 1
661 1 38 VAL QG 1 102 ILE HG12 2.503 . 6.000 3.983 3.589 4.627 . 0 0 "[ . 1 . 2]" 1
662 1 39 LEU H 1 39 LEU HB2 2.842 . 3.851 2.548 2.433 2.623 . 0 0 "[ . 1 . 2]" 1
663 1 39 LEU H 1 39 LEU HB3 3.650 . 5.315 3.665 3.606 3.718 . 0 0 "[ . 1 . 2]" 1
664 1 39 LEU H 1 39 LEU QD 3.818 . 4.692 3.192 3.085 3.298 . 0 0 "[ . 1 . 2]" 1
665 1 39 LEU H 1 39 LEU HG 2.577 . 3.407 2.510 2.326 2.697 . 0 0 "[ . 1 . 2]" 1
666 1 39 LEU H 1 91 THR HA 3.532 . 5.091 2.766 2.552 3.130 . 0 0 "[ . 1 . 2]" 1
667 1 39 LEU H 1 91 THR MG 3.473 . 4.980 3.123 2.580 3.610 . 0 0 "[ . 1 . 2]" 1
668 1 39 LEU HA 1 39 LEU HB3 2.968 . 4.069 2.436 2.411 2.484 . 0 0 "[ . 1 . 2]" 1
669 1 39 LEU HA 1 39 LEU QD . . 2.768 2.105 2.025 2.154 . 0 0 "[ . 1 . 2]" 1
670 1 39 LEU HA 1 39 LEU HG 2.801 . 3.781 3.195 3.065 3.255 . 0 0 "[ . 1 . 2]" 1
671 1 39 LEU HB2 1 39 LEU QD 2.346 . 3.034 2.271 2.253 2.301 . 0 0 "[ . 1 . 2]" 1
672 1 39 LEU HB2 1 39 LEU HG 2.008 . 2.512 2.467 2.434 2.486 . 0 0 "[ . 1 . 2]" 1
673 1 39 LEU HB3 1 39 LEU QD 2.109 . 2.574 2.113 2.105 2.120 . 0 0 "[ . 1 . 2]" 1
674 1 39 LEU HB3 1 39 LEU HG 2.626 . 3.488 3.018 3.014 3.020 . 0 0 "[ . 1 . 2]" 1
675 1 39 LEU HB3 1 40 ALA H 3.555 . 5.135 3.577 3.122 4.274 . 0 0 "[ . 1 . 2]" 1
676 1 39 LEU HB3 1 41 GLU H 2.850 . 3.865 3.072 2.730 3.600 . 0 0 "[ . 1 . 2]" 1
677 1 39 LEU QD 1 39 LEU HG 1.804 . 2.211 1.892 1.891 1.893 . 0 0 "[ . 1 . 2]" 1
678 1 39 LEU QD 1 40 ALA H 3.862 . 5.726 3.805 3.651 4.355 . 0 0 "[ . 1 . 2]" 1
679 1 39 LEU QD 1 40 ALA H 4.496 . 7.022 3.733 3.569 4.241 . 0 0 "[ . 1 . 2]" 1
680 1 39 LEU QD 1 41 GLU H 4.437 . 4.996 4.093 3.879 4.416 . 0 0 "[ . 1 . 2]" 1
681 1 39 LEU QD 1 43 ASN QB 3.479 . 4.992 4.409 3.354 8.169 3.177 2 1 "[ + . 1 . 2]" 1
682 1 39 LEU QD 1 43 ASN QD 2.832 . 3.653 3.029 2.117 7.196 3.543 2 1 "[ + . 1 . 2]" 1
683 1 39 LEU QD 1 90 LEU QD 2.036 . 2.554 2.214 2.064 2.688 0.134 11 0 "[ . 1 . 2]" 1
684 1 39 LEU QD 1 91 THR HA 3.498 . 5.028 3.362 3.136 3.657 . 0 0 "[ . 1 . 2]" 1
685 1 39 LEU QD 1 92 THR H 3.015 . 4.151 3.423 3.056 3.778 . 0 0 "[ . 1 . 2]" 1
686 1 39 LEU QD 1 92 THR HA 3.602 . 5.224 4.041 3.074 4.732 . 0 0 "[ . 1 . 2]" 1
687 1 39 LEU QD 1 92 THR HB 2.391 . 3.105 2.549 1.974 3.172 0.067 18 0 "[ . 1 . 2]" 1
688 1 39 LEU QD 1 97 ALA MB 1.453 . 6.000 2.171 1.845 2.431 . 0 0 "[ . 1 . 2]" 1
689 1 39 LEU QD 1 98 ALA H 3.441 . 4.921 4.351 4.072 4.624 . 0 0 "[ . 1 . 2]" 1
690 1 39 LEU QD 1 98 ALA HA 4.504 . 7.040 5.894 5.732 6.137 . 0 0 "[ . 1 . 2]" 1
691 1 39 LEU HG 1 91 THR HA 3.135 . 4.364 2.621 2.355 2.954 . 0 0 "[ . 1 . 2]" 1
692 1 39 LEU HG 1 92 THR H 3.199 . 4.478 3.309 2.926 3.695 . 0 0 "[ . 1 . 2]" 1
693 1 40 ALA H 1 40 ALA HA 2.721 . 3.647 2.783 2.262 2.870 . 0 0 "[ . 1 . 2]" 1
694 1 40 ALA H 1 40 ALA MB 2.241 . 2.869 2.312 2.230 2.968 0.099 15 0 "[ . 1 . 2]" 1
695 1 40 ALA H 1 41 GLU H 2.548 . 3.359 2.553 2.370 3.392 0.033 6 0 "[ . 1 . 2]" 1
696 1 40 ALA H 1 41 GLU HA 4.846 . 7.781 5.160 5.073 5.284 . 0 0 "[ . 1 . 2]" 1
697 1 40 ALA H 1 41 GLU HB2 3.806 . 5.617 5.063 4.608 6.105 0.488 6 0 "[ . 1 . 2]" 1
698 1 40 ALA H 1 41 GLU QG 3.288 . 4.639 4.231 3.502 5.186 0.547 6 2 "[ .+ 1 - 2]" 1
699 1 40 ALA HA 1 40 ALA MB 2.061 . 2.592 2.130 2.123 2.135 . 0 0 "[ . 1 . 2]" 1
700 1 40 ALA HA 1 41 GLU H 2.941 . 4.022 3.436 3.334 3.530 . 0 0 "[ . 1 . 2]" 1
701 1 40 ALA MB 1 41 GLU H 2.343 . 3.029 2.765 2.490 3.181 0.152 2 0 "[ . 1 . 2]" 1
702 1 40 ALA MB 1 41 GLU QG 2.508 . 3.294 2.838 2.468 3.453 0.159 20 0 "[ . 1 . 2]" 1
703 1 41 GLU H 1 41 GLU HA 2.946 . 4.031 2.935 2.916 2.946 . 0 0 "[ . 1 . 2]" 1
704 1 41 GLU H 1 41 GLU HB2 2.561 . 3.381 2.713 2.457 3.830 0.449 2 0 "[ . 1 . 2]" 1
705 1 41 GLU H 1 41 GLU HB3 3.155 . 4.399 3.665 3.099 3.821 . 0 0 "[ . 1 . 2]" 1
706 1 41 GLU H 1 41 GLU QG 2.458 . 3.213 2.554 1.964 3.103 . 0 0 "[ . 1 . 2]" 1
707 1 41 GLU H 1 42 VAL H 3.768 . 5.542 4.287 3.966 4.523 . 0 0 "[ . 1 . 2]" 1
708 1 41 GLU H 1 42 VAL QG 3.320 . 4.698 4.295 3.925 4.633 . 0 0 "[ . 1 . 2]" 1
709 1 41 GLU HA 1 41 GLU HB3 2.755 . 3.704 2.435 2.347 2.493 . 0 0 "[ . 1 . 2]" 1
710 1 41 GLU HA 1 41 GLU QG 3.389 . 4.825 2.754 2.421 3.326 . 0 0 "[ . 1 . 2]" 1
711 1 41 GLU HA 1 42 VAL H 2.760 . 3.712 2.188 2.116 2.358 . 0 0 "[ . 1 . 2]" 1
712 1 41 GLU HB2 1 42 VAL H 3.972 . 5.944 4.120 3.336 4.326 . 0 0 "[ . 1 . 2]" 1
713 1 41 GLU HB3 1 41 GLU QG 2.566 . 3.389 2.354 2.256 2.451 . 0 0 "[ . 1 . 2]" 1
714 1 41 GLU HB3 1 42 VAL H 2.773 . 3.734 3.509 2.692 4.303 0.569 2 1 "[ + . 1 . 2]" 1
715 1 41 GLU HB3 1 43 ASN H 4.806 . 7.694 5.694 4.716 6.172 . 0 0 "[ . 1 . 2]" 1
716 1 41 GLU QG 1 42 VAL H 4.846 . 7.781 4.463 4.060 4.897 . 0 0 "[ . 1 . 2]" 1
717 1 41 GLU QG 1 42 VAL QG 3.944 . 5.889 4.901 4.576 5.171 . 0 0 "[ . 1 . 2]" 1
718 1 41 GLU QG 1 49 PHE H 7.062 . 13.296 5.827 4.838 6.630 . 0 0 "[ . 1 . 2]" 1
719 1 41 GLU QG 1 50 ARG HA 3.909 . 5.819 3.978 2.138 5.597 . 0 0 "[ . 1 . 2]" 1
720 1 41 GLU QG 1 50 ARG QD 4.309 . 6.630 4.196 2.788 5.680 . 0 0 "[ . 1 . 2]" 1
721 1 42 VAL H 1 42 VAL HA 2.820 . 3.814 2.916 2.869 2.935 . 0 0 "[ . 1 . 2]" 1
722 1 42 VAL H 1 42 VAL HB 3.222 . 4.519 3.710 3.540 3.813 . 0 0 "[ . 1 . 2]" 1
723 1 42 VAL H 1 42 VAL QG 2.644 . 3.518 2.010 1.896 2.467 . 0 0 "[ . 1 . 2]" 1
724 1 42 VAL H 1 43 ASN H 3.829 . 5.661 4.354 3.603 4.516 . 0 0 "[ . 1 . 2]" 1
725 1 42 VAL H 1 49 PHE H 3.097 . 4.296 3.048 2.653 5.385 1.089 2 1 "[ + . 1 . 2]" 1
726 1 42 VAL H 1 49 PHE HA 4.105 . 6.212 4.765 4.417 6.337 0.125 2 0 "[ . 1 . 2]" 1
727 1 42 VAL H 1 49 PHE HB2 5.111 . 8.376 4.903 3.650 7.097 . 0 0 "[ . 1 . 2]" 1
728 1 42 VAL H 1 50 ARG HA 4.991 . 8.105 3.428 3.079 3.948 . 0 0 "[ . 1 . 2]" 1
729 1 42 VAL HA 1 42 VAL HB 2.976 . 4.083 2.441 2.390 2.504 . 0 0 "[ . 1 . 2]" 1
730 1 42 VAL HA 1 42 VAL QG 2.915 . 3.228 2.306 2.247 2.388 . 0 0 "[ . 1 . 2]" 1
731 1 42 VAL HA 1 43 ASN H 2.119 . 2.680 2.131 2.069 2.191 . 0 0 "[ . 1 . 2]" 1
732 1 42 VAL HA 1 90 LEU QD 3.267 . 4.601 2.309 1.827 4.125 0.106 4 0 "[ . 1 . 2]" 1
733 1 42 VAL HB 1 42 VAL QG 1.813 . 2.224 1.893 1.891 1.897 . 0 0 "[ . 1 . 2]" 1
734 1 42 VAL HB 1 43 ASN H 4.331 . 6.676 3.363 2.955 4.428 . 0 0 "[ . 1 . 2]" 1
735 1 42 VAL MG1 1 42 VAL MG2 1.555 . 6.000 2.078 2.072 2.085 . 0 0 "[ . 1 . 2]" 1
736 1 42 VAL QG 1 43 ASN H 3.161 . 4.410 3.516 3.223 3.694 . 0 0 "[ . 1 . 2]" 1
737 1 42 VAL QG 1 44 ILE H 3.338 . 4.731 3.840 3.509 4.948 0.217 6 0 "[ . 1 . 2]" 1
738 1 42 VAL QG 1 44 ILE HB 3.447 . 4.932 4.465 3.753 6.210 1.278 2 1 "[ + . 1 . 2]" 1
739 1 42 VAL QG 1 49 PHE QD 3.729 . 5.467 3.198 2.204 6.405 0.938 2 1 "[ + . 1 . 2]" 1
740 1 42 VAL QG 1 49 PHE HE1 4.161 . 6.325 4.274 2.841 7.233 0.908 2 1 "[ + . 1 . 2]" 1
741 1 42 VAL QG 1 90 LEU QD 3.255 . 4.580 2.641 2.088 3.041 . 0 0 "[ . 1 . 2]" 1
742 1 42 VAL QG 1 99 TRP HZ2 3.428 . 4.897 3.374 2.687 4.454 . 0 0 "[ . 1 . 2]" 1
743 1 42 VAL QG 1 99 TRP HZ3 3.071 . 4.250 3.488 2.924 6.523 2.273 7 1 "[ . + 1 . 2]" 1
744 1 43 ASN H 1 43 ASN QB 2.778 . 3.742 2.565 2.352 2.884 . 0 0 "[ . 1 . 2]" 1
745 1 43 ASN H 1 43 ASN QD 4.343 . 6.700 2.453 2.145 3.316 . 0 0 "[ . 1 . 2]" 1
746 1 43 ASN H 1 44 ILE H 4.112 . 6.225 4.171 3.998 4.595 . 0 0 "[ . 1 . 2]" 1
747 1 43 ASN HA 1 43 ASN QB 3.040 . 4.195 2.325 2.180 2.417 . 0 0 "[ . 1 . 2]" 1
748 1 43 ASN HA 1 43 ASN QD 4.730 . 7.012 3.737 3.533 3.952 . 0 0 "[ . 1 . 2]" 1
749 1 43 ASN HA 1 44 ILE H 2.225 . 2.844 2.174 2.096 2.293 . 0 0 "[ . 1 . 2]" 1
750 1 43 ASN HA 1 44 ILE MG 5.027 . 8.186 5.429 3.883 5.546 . 0 0 "[ . 1 . 2]" 1
751 1 43 ASN HA 1 47 SER H 3.875 . 5.752 4.751 3.782 7.172 1.420 2 2 "[ + .- 1 . 2]" 1
752 1 43 ASN HA 1 48 VAL MG2 2.749 . 3.693 2.584 2.023 4.572 0.879 2 1 "[ + . 1 . 2]" 1
753 1 43 ASN QB 1 43 ASN QD . . 3.561 2.184 2.143 2.209 . 0 0 "[ . 1 . 2]" 1
754 1 43 ASN QB 1 44 ILE H 4.802 . 6.563 3.558 2.697 3.680 . 0 0 "[ . 1 . 2]" 1
755 1 43 ASN QB 1 48 VAL MG2 3.430 . 4.901 3.274 1.991 4.257 . 0 0 "[ . 1 . 2]" 1
756 1 44 ILE H 1 44 ILE HB 2.611 . 3.463 2.664 2.503 3.645 0.182 2 0 "[ . 1 . 2]" 1
757 1 44 ILE H 1 44 ILE MD 4.025 . 6.050 3.850 3.540 4.442 . 0 0 "[ . 1 . 2]" 1
758 1 44 ILE H 1 44 ILE HG13 2.830 . 3.831 2.772 2.221 4.509 0.678 6 1 "[ .+ 1 . 2]" 1
759 1 44 ILE H 1 44 ILE MG 3.849 . 5.700 3.748 1.931 4.061 0.067 6 0 "[ . 1 . 2]" 1
760 1 44 ILE H 1 47 SER H 2.484 . 3.255 3.661 2.904 6.120 2.865 2 4 "[ + .* - 1 . *]" 1
761 1 44 ILE H 1 47 SER QB 5.336 . 5.734 4.066 3.228 7.303 1.569 2 2 "[ + .- 1 . 2]" 1
762 1 44 ILE H 1 48 VAL MG2 3.381 . 4.810 3.778 2.911 4.467 . 0 0 "[ . 1 . 2]" 1
763 1 44 ILE H 1 49 PHE HA 6.025 . 10.563 7.392 6.752 8.836 . 0 0 "[ . 1 . 2]" 1
764 1 44 ILE H 1 49 PHE QD 3.597 . 6.000 5.023 4.121 7.736 1.736 6 1 "[ .+ 1 . 2]" 1
765 1 44 ILE HA 1 44 ILE MD 4.065 . 6.131 3.676 1.976 3.899 0.023 14 0 "[ . 1 . 2]" 1
766 1 44 ILE HA 1 44 ILE HG12 3.431 . 4.902 2.678 2.557 3.181 . 0 0 "[ . 1 . 2]" 1
767 1 44 ILE HA 1 44 ILE HG13 2.922 . 3.990 3.107 2.495 3.744 . 0 0 "[ . 1 . 2]" 1
768 1 44 ILE HA 1 44 ILE MG 2.650 . 3.528 2.419 2.308 3.213 . 0 0 "[ . 1 . 2]" 1
769 1 44 ILE HB 1 44 ILE MD 2.709 . 3.627 2.495 2.386 3.237 . 0 0 "[ . 1 . 2]" 1
770 1 44 ILE HB 1 44 ILE HG13 2.568 . 3.393 2.486 2.462 2.511 . 0 0 "[ . 1 . 2]" 1
771 1 44 ILE HB 1 44 ILE MG 2.060 . 2.590 2.129 2.122 2.134 . 0 0 "[ . 1 . 2]" 1
772 1 44 ILE HB 1 47 SER QB . . 4.775 3.045 1.919 5.269 0.494 6 0 "[ . 1 . 2]" 1
773 1 44 ILE HB 1 49 PHE H 3.564 . 6.000 5.774 4.776 6.971 0.971 20 2 "[- . 1 . +]" 1
774 1 44 ILE HB 1 49 PHE QD 3.435 . 4.910 4.619 3.389 6.659 1.749 6 4 "[- .+ 1 * *]" 1
775 1 44 ILE HB 1 49 PHE HE1 5.382 . 9.002 4.206 2.603 7.344 . 0 0 "[ . 1 . 2]" 1
776 1 44 ILE MD 1 44 ILE HG12 2.909 . 3.967 2.120 2.119 2.122 . 0 0 "[ . 1 . 2]" 1
777 1 44 ILE MD 1 44 ILE HG13 2.494 . 3.271 2.123 2.120 2.124 . 0 0 "[ . 1 . 2]" 1
778 1 44 ILE MD 1 44 ILE MG 2.169 . 2.757 1.976 1.934 2.036 . 0 0 "[ . 1 . 2]" 1
779 1 44 ILE MD 1 47 SER H 4.231 . 6.468 5.316 3.915 5.974 . 0 0 "[ . 1 . 2]" 1
780 1 44 ILE MD 1 49 PHE QD 3.501 . 5.033 3.745 2.445 6.602 1.569 6 1 "[ .+ 1 . 2]" 1
781 1 44 ILE MD 2 99 TRP HD1 5.000 . 5.000 4.365 3.406 7.085 2.085 6 1 "[ .+ 1 . 2]" 1
782 1 44 ILE HG12 1 44 ILE MG 2.092 . 2.639 2.444 2.320 3.202 0.563 19 2 "[ . 1 -. +2]" 1
783 1 44 ILE MG 1 45 ASN QB 4.096 . 5.067 3.207 2.708 5.448 0.381 6 0 "[ . 1 . 2]" 1
784 1 44 ILE MG 1 45 ASN HD22 3.862 . 5.726 4.647 2.837 6.582 0.856 7 3 "[ . + 1 *. -]" 1
785 1 44 ILE MG 2 99 TRP HE1 5.000 . 5.000 4.399 2.658 9.114 4.114 6 2 "[ .+- 1 . 2]" 1
786 1 45 ASN H 1 47 SER H 3.360 . 4.771 3.740 2.578 4.927 0.156 2 0 "[ . 1 . 2]" 1
787 1 45 ASN HA 1 45 ASN QB 4.061 . 5.478 2.395 2.186 2.461 . 0 0 "[ . 1 . 2]" 1
788 1 45 ASN HA 1 45 ASN HD21 2.538 . 3.343 2.380 1.820 3.705 0.362 10 0 "[ . 1 . 2]" 1
789 1 45 ASN HA 1 45 ASN HD22 4.668 . 7.391 3.690 3.451 4.912 . 0 0 "[ . 1 . 2]" 1
790 1 45 ASN HA 1 46 ASN HB3 5.109 . 8.371 5.531 4.518 6.375 . 0 0 "[ . 1 . 2]" 1
791 1 45 ASN QB 1 45 ASN HD21 3.811 . 4.588 2.681 2.222 2.828 . 0 0 "[ . 1 . 2]" 1
792 1 45 ASN QB 1 47 SER H 6.574 . 11.976 4.076 3.374 5.668 . 0 0 "[ . 1 . 2]" 1
793 1 46 ASN H 1 46 ASN HA 2.676 . 3.571 2.558 2.258 2.947 . 0 0 "[ . 1 . 2]" 1
794 1 46 ASN H 1 46 ASN HD21 4.510 . 7.053 4.496 3.554 5.332 . 0 0 "[ . 1 . 2]" 1
795 1 46 ASN H 1 47 SER H 3.260 . 4.588 2.512 1.765 3.399 0.167 8 0 "[ . 1 . 2]" 1
796 1 46 ASN H 1 48 VAL H 4.576 . 7.194 6.172 4.693 6.534 . 0 0 "[ . 1 . 2]" 1
797 1 46 ASN HA 1 46 ASN HB3 2.870 . 3.899 2.633 2.436 3.036 . 0 0 "[ . 1 . 2]" 1
798 1 46 ASN HB3 1 47 SER H 5.066 . 8.274 4.006 2.262 4.471 . 0 0 "[ . 1 . 2]" 1
799 1 47 SER H 1 47 SER HA 2.805 . 3.788 2.911 2.848 2.943 . 0 0 "[ . 1 . 2]" 1
800 1 47 SER H 1 47 SER QB 3.183 . 3.573 2.644 2.320 3.194 . 0 0 "[ . 1 . 2]" 1
801 1 47 SER H 1 48 VAL H 3.776 . 5.559 4.187 3.899 4.438 . 0 0 "[ . 1 . 2]" 1
802 1 47 SER HA 1 47 SER QB 3.542 . 4.514 2.367 2.198 2.417 . 0 0 "[ . 1 . 2]" 1
803 1 47 SER QB 1 48 VAL H 4.455 . 6.936 3.595 2.586 3.887 . 0 0 "[ . 1 . 2]" 1
804 1 47 SER QB 1 49 PHE HE1 5.456 . 9.177 3.181 2.057 5.057 . 0 0 "[ . 1 . 2]" 1
805 1 48 VAL H 1 48 VAL HB 2.432 . 3.171 2.672 2.482 3.249 0.078 6 0 "[ . 1 . 2]" 1
806 1 48 VAL H 1 48 VAL MG1 2.936 . 4.014 3.767 2.182 3.946 . 0 0 "[ . 1 . 2]" 1
807 1 48 VAL H 1 48 VAL MG2 2.461 . 3.218 2.589 2.310 3.872 0.654 6 1 "[ .+ 1 . 2]" 1
808 1 48 VAL HA 1 48 VAL HB 2.885 . 3.925 2.991 2.393 3.028 . 0 0 "[ . 1 . 2]" 1
809 1 48 VAL HA 1 48 VAL MG1 2.644 . 3.518 2.409 2.322 3.217 . 0 0 "[ . 1 . 2]" 1
810 1 48 VAL HA 1 48 VAL MG2 2.398 . 3.117 2.438 2.341 2.511 . 0 0 "[ . 1 . 2]" 1
811 1 48 VAL HB 1 48 VAL MG1 1.707 . 2.071 2.125 2.122 2.128 0.057 12 0 "[ . 1 . 2]" 1
812 1 48 VAL HB 1 48 VAL MG2 1.736 . 2.113 2.126 2.123 2.129 0.016 12 0 "[ . 1 . 2]" 1
813 1 49 PHE H 1 49 PHE HA 2.936 . 4.013 2.924 2.866 2.953 . 0 0 "[ . 1 . 2]" 1
814 1 49 PHE H 1 49 PHE HB3 3.027 . 4.173 3.561 3.091 3.848 . 0 0 "[ . 1 . 2]" 1
815 1 49 PHE H 1 49 PHE QD 4.137 . 6.276 3.044 2.403 3.488 . 0 0 "[ . 1 . 2]" 1
816 1 49 PHE H 1 50 ARG H 4.209 . 6.424 4.394 4.265 4.511 . 0 0 "[ . 1 . 2]" 1
817 1 49 PHE HA 1 49 PHE QD 3.875 . 5.752 3.244 2.609 3.754 . 0 0 "[ . 1 . 2]" 1
818 1 49 PHE HA 1 49 PHE HE1 6.372 . 11.447 6.016 5.536 6.442 . 0 0 "[ . 1 . 2]" 1
819 1 49 PHE HA 1 50 ARG HB2 4.729 . 7.525 5.102 4.470 5.796 . 0 0 "[ . 1 . 2]" 1
820 1 49 PHE HB2 1 49 PHE QD 3.599 . 5.218 2.339 2.292 2.411 . 0 0 "[ . 1 . 2]" 1
821 1 49 PHE HB2 1 49 PHE HE1 5.395 . 9.033 5.026 4.611 5.445 . 0 0 "[ . 1 . 2]" 1
822 1 49 PHE HB3 1 49 PHE QD 3.784 . 5.574 2.444 2.363 2.510 . 0 0 "[ . 1 . 2]" 1
823 1 49 PHE HB3 1 49 PHE HE1 5.044 . 8.225 5.031 4.651 5.411 . 0 0 "[ . 1 . 2]" 1
824 1 49 PHE QD 1 50 ARG H 4.954 . 8.022 3.610 2.996 4.247 . 0 0 "[ . 1 . 2]" 1
825 1 50 ARG H 1 50 ARG HB2 2.750 . 3.695 3.079 2.374 3.898 0.203 8 0 "[ . 1 . 2]" 1
826 1 50 ARG H 1 50 ARG QD 5.100 . 7.622 4.229 3.820 4.829 . 0 0 "[ . 1 . 2]" 1
827 1 50 ARG H 1 50 ARG QG 2.728 . 3.658 2.579 2.036 4.010 0.352 13 0 "[ . 1 . 2]" 1
828 1 50 ARG HA 1 50 ARG QG 4.053 . 6.107 2.843 2.324 3.371 . 0 0 "[ . 1 . 2]" 1
829 1 50 ARG HB2 1 50 ARG QD . . 2.729 2.588 2.282 3.155 0.426 4 0 "[ . 1 . 2]" 1
830 1 50 ARG HB2 1 50 ARG QG 2.066 . 2.600 2.340 2.279 2.428 . 0 0 "[ . 1 . 2]" 1
831 1 50 ARG HB2 1 52 TYR HE1 3.223 . 4.521 4.390 2.744 5.416 0.895 7 8 "[ ** . +* 1 * .-* *2]" 1
832 1 50 ARG QD 1 50 ARG QG 2.473 . 3.096 2.029 1.959 2.090 . 0 0 "[ . 1 . 2]" 1
833 1 50 ARG QD 1 52 TYR HD1 3.801 . 5.607 4.741 3.460 5.633 0.026 16 0 "[ . 1 . 2]" 1
834 1 50 ARG QD 1 52 TYR HE1 4.117 . 5.223 3.301 2.399 3.902 . 0 0 "[ . 1 . 2]" 1
835 1 50 ARG QG 1 52 TYR HA 4.073 . 6.147 5.896 3.756 7.294 1.147 1 4 "[+ . 1* .* - 2]" 1
836 1 50 ARG QG 1 52 TYR HD1 5.359 . 8.949 5.152 3.519 6.147 . 0 0 "[ . 1 . 2]" 1
837 1 50 ARG QG 1 52 TYR HE1 4.054 . 6.108 4.280 2.643 4.999 . 0 0 "[ . 1 . 2]" 1
838 1 51 GLN H 1 51 GLN HE22 4.892 . 7.883 5.517 3.412 6.776 . 0 0 "[ . 1 . 2]" 1
839 1 51 GLN HA 1 51 GLN HE21 4.565 . 7.170 4.595 3.180 5.921 . 0 0 "[ . 1 . 2]" 1
840 1 51 GLN HA 1 51 GLN HG3 4.292 . 6.595 3.697 2.477 4.253 . 0 0 "[ . 1 . 2]" 1
841 1 51 GLN HA 1 52 TYR H 3.252 . 4.574 2.685 2.146 3.581 . 0 0 "[ . 1 . 2]" 1
842 1 52 TYR H 1 52 TYR HB2 3.509 . 5.048 3.019 2.507 3.717 . 0 0 "[ . 1 . 2]" 1
843 1 52 TYR H 1 52 TYR HD1 4.410 . 6.841 3.954 2.481 4.800 . 0 0 "[ . 1 . 2]" 1
844 1 52 TYR H 1 52 TYR HE1 5.265 . 8.731 5.431 4.432 6.205 . 0 0 "[ . 1 . 2]" 1
845 1 52 TYR HA 1 52 TYR HE1 5.488 . 9.253 4.946 4.511 5.769 . 0 0 "[ . 1 . 2]" 1
846 1 52 TYR HB2 1 52 TYR HD1 3.424 . 4.890 3.529 2.352 3.753 . 0 0 "[ . 1 . 2]" 1
847 1 52 TYR HB2 1 52 TYR HE1 3.793 . 5.591 5.341 4.631 5.481 . 0 0 "[ . 1 . 2]" 1
848 1 52 TYR HB3 1 52 TYR HD1 3.480 . 4.993 2.848 2.476 3.726 . 0 0 "[ . 1 . 2]" 1
849 1 52 TYR HB3 1 52 TYR HE1 3.806 . 5.617 4.918 4.701 5.459 . 0 0 "[ . 1 . 2]" 1
850 1 52 TYR HD1 1 53 PHE H 5.323 . 8.865 4.475 3.669 6.030 . 0 0 "[ . 1 . 2]" 1
851 1 53 PHE H 1 53 PHE HA 2.701 . 3.613 2.930 2.876 2.951 . 0 0 "[ . 1 . 2]" 1
852 1 53 PHE H 1 53 PHE HB2 2.793 . 3.768 2.601 2.432 2.772 . 0 0 "[ . 1 . 2]" 1
853 1 53 PHE H 1 53 PHE HB3 3.916 . 5.833 3.726 3.613 3.849 . 0 0 "[ . 1 . 2]" 1
854 1 53 PHE H 1 53 PHE QD 3.582 . 5.185 2.837 2.253 3.826 . 0 0 "[ . 1 . 2]" 1
855 1 53 PHE H 1 53 PHE HZ 4.227 . 6.460 6.141 5.741 6.951 0.491 14 0 "[ . 1 . 2]" 1
856 1 53 PHE HA 1 53 PHE QD 4.731 . 7.529 2.709 2.260 2.965 . 0 0 "[ . 1 . 2]" 1
857 1 53 PHE HA 1 53 PHE HE1 5.022 . 8.174 4.806 4.511 5.042 . 0 0 "[ . 1 . 2]" 1
858 1 53 PHE HB2 1 53 PHE QD 4.117 . 6.235 2.319 2.241 2.392 . 0 0 "[ . 1 . 2]" 1
859 1 53 PHE HB2 1 53 PHE HE1 4.979 . 8.078 5.436 5.396 5.459 . 0 0 "[ . 1 . 2]" 1
860 1 53 PHE HB3 1 53 PHE HE1 5.145 . 8.454 4.718 4.652 4.844 . 0 0 "[ . 1 . 2]" 1
861 1 53 PHE QD 1 54 PHE H 5.076 . 8.297 4.122 3.452 4.629 . 0 0 "[ . 1 . 2]" 1
862 1 53 PHE QD 1 87 VAL HB 3.344 . 4.742 4.518 3.700 6.042 1.300 5 2 "[ + 1 . - 2]" 1
863 1 53 PHE QD 1 87 VAL QG 2.882 . 3.921 2.672 2.198 3.628 . 0 0 "[ . 1 . 2]" 1
864 1 53 PHE QD 1 102 ILE MD 3.604 . 5.228 3.712 3.117 4.218 . 0 0 "[ . 1 . 2]" 1
865 1 53 PHE QD 1 104 ILE MD 4.173 . 6.350 3.202 2.363 4.177 . 0 0 "[ . 1 . 2]" 1
866 1 53 PHE QD 1 104 ILE MG 3.576 . 5.174 3.108 2.097 3.850 . 0 0 "[ . 1 . 2]" 1
867 1 54 PHE H 1 54 PHE HB3 3.148 . 4.387 2.663 2.408 3.334 . 0 0 "[ . 1 . 2]" 1
868 1 54 PHE H 1 104 ILE QG 3.430 . 4.900 5.204 4.226 5.924 1.024 4 5 "[ +* * 1 .- *]" 1
869 1 54 PHE H 1 104 ILE MG 3.846 . 5.695 4.650 3.957 5.192 . 0 0 "[ . 1 . 2]" 1
870 1 54 PHE HA 1 54 PHE HE1 5.162 . 8.492 5.953 4.660 6.512 . 0 0 "[ . 1 . 2]" 1
871 1 54 PHE HA 1 55 GLU H 2.394 . 3.110 2.173 2.117 2.222 . 0 0 "[ . 1 . 2]" 1
872 1 54 PHE HB3 1 85 THR MG 4.549 . 7.136 5.233 4.602 5.918 . 0 0 "[ . 1 . 2]" 1
873 1 54 PHE QD 2 86 PHE H 5.000 . 5.000 4.545 3.535 5.047 0.047 5 0 "[ . 1 . 2]" 1
874 1 54 PHE HD1 1 55 GLU H 5.087 . 8.322 5.008 4.244 5.881 . 0 0 "[ . 1 . 2]" 1
875 1 55 GLU H 1 55 GLU HB2 3.006 . 4.135 2.629 2.468 2.785 . 0 0 "[ . 1 . 2]" 1
876 1 55 GLU H 1 55 GLU HB3 3.762 . 5.531 3.750 3.664 3.829 . 0 0 "[ . 1 . 2]" 1
877 1 55 GLU H 1 55 GLU HG2 4.357 . 6.730 3.567 2.769 3.899 . 0 0 "[ . 1 . 2]" 1
878 1 55 GLU H 1 55 GLU HG3 3.012 . 4.146 2.941 2.694 3.886 . 0 0 "[ . 1 . 2]" 1
879 1 55 GLU H 1 56 THR H 4.486 . 7.001 4.235 4.115 4.509 . 0 0 "[ . 1 . 2]" 1
880 1 55 GLU HA 1 55 GLU HB3 2.766 . 3.722 2.452 2.403 2.510 . 0 0 "[ . 1 . 2]" 1
881 1 55 GLU HA 1 55 GLU HG2 3.704 . 5.419 2.559 2.435 2.927 . 0 0 "[ . 1 . 2]" 1
882 1 55 GLU HA 1 55 GLU HG3 4.326 . 6.666 3.401 3.211 3.807 . 0 0 "[ . 1 . 2]" 1
883 1 55 GLU HB2 1 55 GLU HG3 2.972 . 4.076 2.347 2.239 2.430 . 0 0 "[ . 1 . 2]" 1
884 1 55 GLU HB2 1 56 THR H 4.449 . 6.924 4.261 3.681 4.409 . 0 0 "[ . 1 . 2]" 1
885 1 55 GLU HG2 1 104 ILE HA 4.563 . 7.166 4.193 3.500 5.480 . 0 0 "[ . 1 . 2]" 1
886 1 55 GLU HG2 1 104 ILE MD 3.772 . 5.551 3.446 2.607 4.482 . 0 0 "[ . 1 . 2]" 1
887 1 55 GLU HG2 1 105 ASP H 4.942 . 7.995 3.525 2.734 4.909 . 0 0 "[ . 1 . 2]" 1
888 1 55 GLU HG3 1 56 THR H 5.538 . 9.372 5.355 4.941 5.741 . 0 0 "[ . 1 . 2]" 1
889 1 55 GLU HG3 1 104 ILE HA 5.973 . 10.433 5.658 5.046 6.267 . 0 0 "[ . 1 . 2]" 1
890 1 55 GLU HG3 1 104 ILE MD 4.310 . 6.632 4.405 3.652 5.755 . 0 0 "[ . 1 . 2]" 1
891 1 55 GLU HG3 1 105 ASP H 4.690 . 7.440 5.037 4.466 5.614 . 0 0 "[ . 1 . 2]" 1
892 1 56 THR H 1 56 THR HA 2.734 . 3.668 2.932 2.912 2.949 . 0 0 "[ . 1 . 2]" 1
893 1 56 THR H 1 56 THR HB 3.202 . 4.483 2.617 2.549 2.892 . 0 0 "[ . 1 . 2]" 1
894 1 56 THR H 1 56 THR MG 4.126 . 6.254 3.840 3.813 3.947 . 0 0 "[ . 1 . 2]" 1
895 1 56 THR H 1 106 THR HA 3.273 . 4.612 2.987 1.771 3.554 0.163 7 0 "[ . 1 . 2]" 1
896 1 56 THR H 1 107 ALA H 4.128 . 6.258 4.494 3.827 5.059 . 0 0 "[ . 1 . 2]" 1
897 1 56 THR HA 1 56 THR MG 2.691 . 3.596 2.358 2.311 2.391 . 0 0 "[ . 1 . 2]" 1
898 1 56 THR HA 1 57 LYS H 2.412 . 3.139 2.136 2.115 2.178 . 0 0 "[ . 1 . 2]" 1
899 1 56 THR HB 1 57 LYS HA 4.447 . 6.919 4.872 4.788 4.970 . 0 0 "[ . 1 . 2]" 1
900 1 56 THR HB 1 105 ASP QB 3.615 . 5.248 4.416 3.573 5.298 0.050 16 0 "[ . 1 . 2]" 1
901 1 56 THR HB 1 106 THR HA 3.644 . 5.304 3.741 2.499 4.177 . 0 0 "[ . 1 . 2]" 1
902 1 56 THR HB 1 107 ALA MB 4.593 . 7.230 3.689 3.268 4.410 . 0 0 "[ . 1 . 2]" 1
903 1 56 THR MG 1 107 ALA H 3.446 . 4.930 4.547 4.068 4.976 0.046 2 0 "[ . 1 . 2]" 1
904 1 56 THR MG 1 107 ALA HA 2.793 . 3.768 2.484 2.168 3.207 . 0 0 "[ . 1 . 2]" 1
905 1 56 THR MG 1 108 CYS H 3.137 . 4.367 2.883 2.461 3.530 . 0 0 "[ . 1 . 2]" 1
906 1 57 LYS H 1 57 LYS HA 2.861 . 3.884 2.940 2.934 2.950 . 0 0 "[ . 1 . 2]" 1
907 1 57 LYS H 1 57 LYS QB 3.393 . 3.533 2.476 2.365 2.585 . 0 0 "[ . 1 . 2]" 1
908 1 57 LYS H 1 57 LYS QD 5.133 . 5.868 4.187 3.849 4.785 . 0 0 "[ . 1 . 2]" 1
909 1 57 LYS H 1 57 LYS HE3 6.301 . 11.263 5.572 4.624 6.273 . 0 0 "[ . 1 . 2]" 1
910 1 57 LYS H 1 57 LYS HG2 3.757 . 5.522 3.883 3.412 4.494 . 0 0 "[ . 1 . 2]" 1
911 1 57 LYS H 1 57 LYS HG3 3.187 . 4.457 3.026 2.311 4.614 0.157 15 0 "[ . 1 . 2]" 1
912 1 57 LYS H 1 58 CYS H 4.272 . 6.553 4.508 4.482 4.527 . 0 0 "[ . 1 . 2]" 1
913 1 57 LYS HA 1 57 LYS QB 3.204 . 4.487 2.362 2.309 2.395 . 0 0 "[ . 1 . 2]" 1
914 1 57 LYS HA 1 57 LYS QD 5.715 . 7.843 4.203 4.029 4.277 . 0 0 "[ . 1 . 2]" 1
915 1 57 LYS HA 1 57 LYS HE2 5.350 . 8.928 4.784 4.146 5.750 . 0 0 "[ . 1 . 2]" 1
916 1 57 LYS HA 1 57 LYS HE3 4.068 . 6.137 4.637 3.926 5.633 . 0 0 "[ . 1 . 2]" 1
917 1 57 LYS HA 1 57 LYS HG2 2.455 . 3.209 2.693 2.495 3.164 . 0 0 "[ . 1 . 2]" 1
918 1 57 LYS HA 1 57 LYS HG3 3.670 . 5.353 3.016 2.486 3.351 . 0 0 "[ . 1 . 2]" 1
919 1 57 LYS HA 1 58 CYS H 2.111 . 2.668 2.305 2.171 2.502 . 0 0 "[ . 1 . 2]" 1
920 1 57 LYS QB 1 57 LYS QD . . 2.708 2.266 2.128 2.337 . 0 0 "[ . 1 . 2]" 1
921 1 57 LYS QB 1 57 LYS HE2 5.251 . 8.698 2.778 1.926 4.004 . 0 0 "[ . 1 . 2]" 1
922 1 57 LYS QB 1 57 LYS HE3 . . 5.107 2.860 1.891 3.937 0.082 2 0 "[ . 1 . 2]" 1
923 1 57 LYS QB 1 57 LYS HG2 2.237 . 2.863 2.341 2.292 2.403 . 0 0 "[ . 1 . 2]" 1
924 1 57 LYS QB 1 57 LYS HG3 3.091 . 3.554 2.347 2.285 2.395 . 0 0 "[ . 1 . 2]" 1
925 1 57 LYS QB 1 58 CYS H 2.339 . 3.023 2.757 2.232 3.629 0.606 15 4 "[ * -. 1 *+ 2]" 1
926 1 57 LYS QD 1 57 LYS HE2 1.878 . 2.319 2.288 2.165 2.368 0.049 3 0 "[ . 1 . 2]" 1
927 1 57 LYS QD 1 57 LYS HG3 2.609 . 2.877 2.239 2.160 2.378 . 0 0 "[ . 1 . 2]" 1
928 1 57 LYS HE2 1 57 LYS HG2 2.567 . 3.391 3.256 2.541 3.746 0.355 14 0 "[ . 1 . 2]" 1
929 1 57 LYS HE3 1 57 LYS HG2 2.610 . 3.461 2.990 2.452 4.234 0.773 14 3 "[ *. 1 +- 2]" 1
930 1 57 LYS HE3 1 57 LYS HG3 3.045 . 4.204 3.469 2.390 3.752 . 0 0 "[ . 1 . 2]" 1
931 1 57 LYS HG2 1 58 CYS H 2.942 . 4.024 3.898 2.662 4.516 0.492 7 0 "[ . 1 . 2]" 1
932 1 58 CYS H 1 58 CYS HA 2.375 . 3.080 2.887 2.853 2.936 . 0 0 "[ . 1 . 2]" 1
933 1 58 CYS H 1 58 CYS HB3 2.920 . 3.986 3.414 2.716 3.666 . 0 0 "[ . 1 . 2]" 1
934 1 58 CYS H 1 59 ARG H 4.040 . 6.080 4.355 4.085 4.493 . 0 0 "[ . 1 . 2]" 1
935 1 58 CYS H 1 82 THR H 4.016 . 6.032 5.453 4.854 6.940 0.908 18 2 "[ . 1 . +-2]" 1
936 1 58 CYS H 1 108 CYS HB2 2.969 . 4.071 3.701 3.417 4.035 . 0 0 "[ . 1 . 2]" 1
937 1 58 CYS HB2 1 59 ARG HB2 5.170 . 8.511 6.727 6.299 7.134 . 0 0 "[ . 1 . 2]" 1
938 1 59 ARG H 1 59 ARG HB2 2.415 . 3.144 2.827 2.233 3.758 0.614 8 5 "[ ** . + 1* - 2]" 1
939 1 59 ARG H 1 59 ARG HB3 3.639 . 5.294 3.325 2.674 3.656 . 0 0 "[ . 1 . 2]" 1
940 1 59 ARG H 1 59 ARG HD2 4.736 . 7.540 4.508 3.987 4.958 . 0 0 "[ . 1 . 2]" 1
941 1 59 ARG H 1 59 ARG HD3 4.599 . 7.243 4.363 3.851 4.881 . 0 0 "[ . 1 . 2]" 1
942 1 59 ARG H 1 59 ARG QG 2.365 . 3.064 2.377 1.989 2.790 . 0 0 "[ . 1 . 2]" 1
943 1 59 ARG H 1 108 CYS HB2 4.307 . 6.626 4.989 4.515 5.490 . 0 0 "[ . 1 . 2]" 1
944 1 59 ARG HA 1 59 ARG HB2 2.550 . 3.363 2.822 2.418 3.026 . 0 0 "[ . 1 . 2]" 1
945 1 59 ARG HA 1 59 ARG HB3 2.779 . 3.744 2.502 2.403 2.639 . 0 0 "[ . 1 . 2]" 1
946 1 59 ARG HA 1 59 ARG HD2 4.929 . 7.966 4.765 4.618 4.878 . 0 0 "[ . 1 . 2]" 1
947 1 59 ARG HA 1 59 ARG QG 2.869 . 3.898 2.739 2.319 3.354 . 0 0 "[ . 1 . 2]" 1
948 1 59 ARG HB2 1 59 ARG HD2 2.159 . 2.741 3.086 2.458 3.724 0.983 14 8 "[* **** 1 +. -*2]" 1
949 1 59 ARG HB2 1 59 ARG HD3 3.950 . 5.900 2.903 2.458 3.717 . 0 0 "[ . 1 . 2]" 1
950 1 59 ARG HB3 1 59 ARG HD2 2.999 . 4.123 3.247 2.464 3.708 . 0 0 "[ . 1 . 2]" 1
951 1 59 ARG HB3 1 59 ARG HD3 3.465 . 4.966 2.979 2.424 3.711 . 0 0 "[ . 1 . 2]" 1
952 1 59 ARG HB3 1 59 ARG QG 2.456 . 3.210 2.325 2.283 2.367 . 0 0 "[ . 1 . 2]" 1
953 1 59 ARG HD2 1 59 ARG QG . . 2.694 2.263 2.172 2.354 . 0 0 "[ . 1 . 2]" 1
954 1 59 ARG HD3 1 59 ARG QG 2.450 . 3.201 2.315 2.168 2.414 . 0 0 "[ . 1 . 2]" 1
955 1 60 ALA H 1 60 ALA MB 3.412 . 4.867 2.719 2.304 3.009 . 0 0 "[ . 1 . 2]" 1
956 1 61 SER HB3 1 79 TYR HB2 4.864 . 7.822 5.344 4.053 7.521 . 0 0 "[ . 1 . 2]" 1
957 1 61 SER HB3 1 79 TYR HB3 5.095 . 8.340 6.273 5.283 7.701 . 0 0 "[ . 1 . 2]" 1
958 1 62 ASN H 1 62 ASN QB 4.406 . 5.109 2.872 2.450 3.388 . 0 0 "[ . 1 . 2]" 1
959 1 62 ASN H 1 63 PRO QG 4.723 . 7.511 5.070 4.356 5.999 . 0 0 "[ . 1 . 2]" 1
960 1 62 ASN H 1 64 VAL QG 4.757 . 7.586 5.974 5.351 6.618 . 0 0 "[ . 1 . 2]" 1
961 1 62 ASN HA 1 62 ASN QB 3.477 . 4.324 2.404 2.179 2.479 . 0 0 "[ . 1 . 2]" 1
962 1 62 ASN HA 1 62 ASN QD 4.635 . 7.320 2.417 1.732 3.992 0.218 20 0 "[ . 1 . 2]" 1
963 1 62 ASN HA 1 63 PRO HB2 6.206 . 11.021 5.399 4.837 5.593 . 0 0 "[ . 1 . 2]" 1
964 1 62 ASN HA 1 63 PRO HD2 2.604 . 3.452 2.023 1.891 2.306 . 0 0 "[ . 1 . 2]" 1
965 1 62 ASN HA 1 63 PRO HD3 3.815 . 5.635 2.870 2.294 3.260 . 0 0 "[ . 1 . 2]" 1
966 1 62 ASN HA 1 63 PRO QG 4.617 . 7.281 3.831 3.750 3.966 . 0 0 "[ . 1 . 2]" 1
967 1 62 ASN HA 1 64 VAL H 3.982 . 5.964 3.682 3.149 4.901 . 0 0 "[ . 1 . 2]" 1
968 1 62 ASN HA 1 79 TYR HA 4.806 . 7.694 4.352 3.553 5.555 . 0 0 "[ . 1 . 2]" 1
969 1 62 ASN QB 1 62 ASN QD . . 3.741 2.431 2.144 2.689 . 0 0 "[ . 1 . 2]" 1
970 1 62 ASN QB 1 64 VAL H 3.326 . 4.709 3.715 3.312 4.131 . 0 0 "[ . 1 . 2]" 1
971 1 62 ASN QB 1 65 GLU HA 4.190 . 6.384 4.170 3.271 7.265 0.881 2 1 "[ + . 1 . 2]" 1
972 1 62 ASN QB 1 65 GLU HG3 5.479 . 9.231 5.760 4.836 6.943 . 0 0 "[ . 1 . 2]" 1
973 1 62 ASN QD 1 67 GLY H 4.404 . 5.844 3.737 2.959 4.633 . 0 0 "[ . 1 . 2]" 1
974 1 62 ASN QD 1 79 TYR HA 2.397 . 3.115 2.962 2.012 8.159 5.044 2 2 "[ + . 1 -. 2]" 1
975 1 62 ASN QD 1 111 VAL QG 4.924 . 7.955 5.851 4.852 9.799 1.844 2 2 "[ + . 1 -. 2]" 1
976 1 63 PRO HA 1 63 PRO HB3 2.935 . 4.012 2.282 2.255 2.309 . 0 0 "[ . 1 . 2]" 1
977 1 63 PRO HA 1 63 PRO HD2 5.163 . 8.495 4.042 3.827 4.103 . 0 0 "[ . 1 . 2]" 1
978 1 63 PRO HA 1 63 PRO HD3 3.100 . 4.301 3.375 2.846 3.641 . 0 0 "[ . 1 . 2]" 1
979 1 63 PRO HA 1 64 VAL H 3.517 . 5.063 3.533 3.465 3.608 . 0 0 "[ . 1 . 2]" 1
980 1 63 PRO HB2 1 64 VAL H 2.800 . 3.780 3.031 2.167 3.500 . 0 0 "[ . 1 . 2]" 1
981 1 63 PRO HB3 1 63 PRO HD3 3.806 . 5.617 3.132 2.935 4.048 . 0 0 "[ . 1 . 2]" 1
982 1 63 PRO HB3 1 63 PRO QG . . 3.291 2.229 2.178 2.254 . 0 0 "[ . 1 . 2]" 1
983 1 63 PRO HB3 1 64 VAL H 4.349 . 6.713 4.087 3.658 4.278 . 0 0 "[ . 1 . 2]" 1
984 1 63 PRO HD2 1 63 PRO QG 3.333 . 4.722 2.199 2.187 2.240 . 0 0 "[ . 1 . 2]" 1
985 1 63 PRO HD2 1 64 VAL QG 4.760 . 7.592 3.834 3.374 5.447 . 0 0 "[ . 1 . 2]" 1
986 1 63 PRO HD3 1 63 PRO QG 4.193 . 4.397 2.247 2.185 2.263 . 0 0 "[ . 1 . 2]" 1
987 1 63 PRO HD3 1 64 VAL H 4.213 . 6.432 4.120 3.935 4.748 . 0 0 "[ . 1 . 2]" 1
988 1 63 PRO QG 1 69 ARG H 3.020 . 4.160 3.309 2.394 8.734 4.574 14 2 "[ - . 1 +. 2]" 1
989 1 64 VAL H 1 64 VAL HB 2.819 . 3.812 3.712 2.691 3.841 0.029 6 0 "[ . 1 . 2]" 1
990 1 64 VAL H 1 64 VAL QG 2.068 . 2.602 2.069 1.801 2.674 0.072 14 0 "[ . 1 . 2]" 1
991 1 64 VAL HA 1 64 VAL HB 2.773 . 3.734 2.513 2.459 3.023 . 0 0 "[ . 1 . 2]" 1
992 1 64 VAL HA 1 64 VAL QG 2.483 . 3.254 2.274 2.118 2.314 . 0 0 "[ . 1 . 2]" 1
993 1 64 VAL HA 1 65 GLU H 3.468 . 4.971 2.596 2.331 3.571 . 0 0 "[ . 1 . 2]" 1
994 1 64 VAL HA 1 65 GLU HB3 5.176 . 8.525 5.260 4.719 5.797 . 0 0 "[ . 1 . 2]" 1
995 1 64 VAL HB 1 64 VAL QG 1.883 . 2.326 1.894 1.890 1.900 . 0 0 "[ . 1 . 2]" 1
996 1 64 VAL HB 1 65 GLU H 2.452 . 3.204 2.451 1.917 3.285 0.081 11 0 "[ . 1 . 2]" 1
997 1 64 VAL HB 1 65 GLU HB3 4.081 . 6.163 4.936 3.926 5.888 . 0 0 "[ . 1 . 2]" 1
998 1 64 VAL HB 1 66 SER H 3.491 . 5.014 4.029 2.594 5.005 . 0 0 "[ . 1 . 2]" 1
999 1 64 VAL HB 1 68 CYS H 5.476 . 9.224 6.432 5.708 7.393 . 0 0 "[ . 1 . 2]" 1
1000 1 64 VAL MG1 1 64 VAL MG2 1.602 . 1.923 2.076 2.068 2.082 0.159 14 0 "[ . 1 . 2]" 1
1001 1 64 VAL QG 1 65 GLU H 3.492 . 5.016 2.987 1.626 3.259 0.342 2 0 "[ . 1 . 2]" 1
1002 1 64 VAL QG 1 65 GLU HA 4.540 . 7.116 4.123 3.241 4.288 . 0 0 "[ . 1 . 2]" 1
1003 1 64 VAL QG 1 65 GLU HB3 5.198 . 8.575 4.842 3.451 5.499 . 0 0 "[ . 1 . 2]" 1
1004 1 64 VAL QG 1 66 SER H 3.017 . 4.155 2.784 2.072 4.538 0.383 14 0 "[ . 1 . 2]" 1
1005 1 64 VAL QG 1 66 SER HB2 3.846 . 5.695 3.964 2.322 6.629 0.934 14 1 "[ . 1 +. 2]" 1
1006 1 64 VAL QG 1 67 GLY H 2.178 . 2.771 2.409 1.886 4.771 2.000 2 2 "[ + . 1 -. 2]" 1
1007 1 64 VAL QG 1 67 GLY HA3 4.313 . 6.638 3.859 2.963 5.031 . 0 0 "[ . 1 . 2]" 1
1008 1 64 VAL QG 1 68 CYS H 3.311 . 6.000 3.549 2.916 4.484 . 0 0 "[ . 1 . 2]" 1
1009 1 64 VAL QG 1 68 CYS HB3 4.610 . 7.266 4.630 4.179 6.454 . 0 0 "[ . 1 . 2]" 1
1010 1 64 VAL QG 1 69 ARG H 3.630 . 4.916 3.174 1.768 3.952 0.215 11 0 "[ . 1 . 2]" 1
1011 1 64 VAL QG 1 69 ARG HA 2.568 . 3.393 2.376 1.843 2.764 . 0 0 "[ . 1 . 2]" 1
1012 1 64 VAL QG 1 69 ARG HD3 4.834 . 7.755 4.241 3.252 5.622 . 0 0 "[ . 1 . 2]" 1
1013 1 64 VAL QG 1 69 ARG QG 1.955 . 2.433 2.327 1.844 3.914 1.481 2 2 "[ + . - . 2]" 1
1014 1 64 VAL QG 1 70 GLY H 4.018 . 5.720 3.455 2.766 4.293 . 0 0 "[ . 1 . 2]" 1
1015 1 65 GLU H 1 65 GLU HB3 2.769 . 3.728 2.953 2.518 3.665 . 0 0 "[ . 1 . 2]" 1
1016 1 65 GLU H 1 65 GLU HG3 3.708 . 5.426 3.660 2.305 4.616 . 0 0 "[ . 1 . 2]" 1
1017 1 65 GLU H 1 66 SER H 3.590 . 5.201 3.294 2.515 3.887 . 0 0 "[ . 1 . 2]" 1
1018 1 65 GLU HA 1 65 GLU HB3 2.730 . 3.661 2.725 2.352 3.023 . 0 0 "[ . 1 . 2]" 1
1019 1 65 GLU HA 1 65 GLU HG3 2.929 . 4.001 3.000 2.407 3.850 . 0 0 "[ . 1 . 2]" 1
1020 1 65 GLU HB3 1 65 GLU HG3 2.165 . 2.751 2.923 2.408 3.010 0.259 8 0 "[ . 1 . 2]" 1
1021 1 65 GLU HB3 1 66 SER H 4.537 . 7.110 4.088 2.489 4.455 . 0 0 "[ . 1 . 2]" 1
1022 1 65 GLU HB3 1 66 SER HA 5.166 . 8.502 5.136 4.272 5.905 . 0 0 "[ . 1 . 2]" 1
1023 1 66 SER H 1 66 SER HB2 3.491 . 5.014 3.345 2.589 4.079 . 0 0 "[ . 1 . 2]" 1
1024 1 66 SER H 1 67 GLY H 2.719 . 3.643 2.195 1.544 2.997 0.251 12 0 "[ . 1 . 2]" 1
1025 1 66 SER HA 1 66 SER HB3 2.839 . 3.846 2.609 2.373 3.037 . 0 0 "[ . 1 . 2]" 1
1026 1 66 SER HA 1 67 GLY H 3.435 . 4.909 3.257 2.509 3.558 . 0 0 "[ . 1 . 2]" 1
1027 1 66 SER HB3 1 67 GLY H 4.234 . 6.475 3.885 2.632 4.467 . 0 0 "[ . 1 . 2]" 1
1028 1 67 GLY H 1 67 GLY HA3 2.636 . 3.505 2.829 2.562 2.954 . 0 0 "[ . 1 . 2]" 1
1029 1 67 GLY H 1 68 CYS H 3.339 . 4.732 3.839 2.899 4.360 . 0 0 "[ . 1 . 2]" 1
1030 1 67 GLY HA2 1 68 CYS H 3.472 . 4.979 3.281 2.683 3.524 . 0 0 "[ . 1 . 2]" 1
1031 1 67 GLY HA3 1 68 CYS H 2.510 . 3.297 2.204 2.136 2.446 . 0 0 "[ . 1 . 2]" 1
1032 1 67 GLY HA3 1 79 TYR H 4.909 . 7.921 5.602 3.895 7.527 . 0 0 "[ . 1 . 2]" 1
1033 1 68 CYS H 1 68 CYS HB2 3.031 . 4.179 2.693 2.452 3.793 . 0 0 "[ . 1 . 2]" 1
1034 1 68 CYS H 1 68 CYS HB3 4.159 . 6.321 3.648 2.626 3.855 . 0 0 "[ . 1 . 2]" 1
1035 1 68 CYS H 1 71 ILE HB 3.300 . 4.661 3.062 2.024 5.658 0.997 14 1 "[ . 1 +. 2]" 1
1036 1 68 CYS H 1 71 ILE MD 4.585 . 7.213 4.866 3.788 6.522 . 0 0 "[ . 1 . 2]" 1
1037 1 68 CYS H 1 71 ILE MG 3.485 . 5.003 3.928 3.269 6.341 1.338 14 1 "[ . 1 +. 2]" 1
1038 1 68 CYS HA 1 69 ARG H 2.997 . 4.120 2.497 2.208 3.450 . 0 0 "[ . 1 . 2]" 1
1039 1 68 CYS HB2 1 112 LEU QD 3.441 . 4.921 4.275 3.499 5.843 0.922 7 3 "[ . + 1 * . -]" 1
1040 1 68 CYS HB3 1 71 ILE MD 4.412 . 6.845 4.541 3.705 5.874 . 0 0 "[ . 1 . 2]" 1
1041 1 68 CYS HB3 1 71 ILE MD 4.280 . 6.570 3.693 3.367 3.987 . 0 0 "[ . 1 . 2]" 1
1042 1 69 ARG H 1 69 ARG HB2 3.690 . 5.392 2.656 2.211 3.664 . 0 0 "[ . 1 . 2]" 1
1043 1 69 ARG H 1 69 ARG HB3 2.724 . 3.651 3.530 2.401 4.094 0.443 11 0 "[ . 1 . 2]" 1
1044 1 69 ARG H 1 69 ARG HD2 4.874 . 7.844 4.762 3.900 5.926 . 0 0 "[ . 1 . 2]" 1
1045 1 69 ARG H 1 69 ARG QG 3.538 . 4.672 2.642 2.090 3.976 . 0 0 "[ . 1 . 2]" 1
1046 1 69 ARG HA 1 69 ARG HD3 5.490 . 9.258 4.505 3.272 4.905 . 0 0 "[ . 1 . 2]" 1
1047 1 69 ARG HA 1 69 ARG QG 3.374 . 4.797 2.463 2.377 2.528 . 0 0 "[ . 1 . 2]" 1
1048 1 69 ARG HA 1 70 GLY H 2.623 . 3.483 2.238 2.132 3.558 0.075 11 0 "[ . 1 . 2]" 1
1049 1 69 ARG HA 2 112 LEU QD 5.000 . 5.000 4.680 4.095 5.462 0.462 18 0 "[ . 1 . 2]" 1
1050 1 69 ARG HB2 1 69 ARG HD2 3.012 . 4.146 3.105 2.454 4.224 0.078 18 0 "[ . 1 . 2]" 1
1051 1 69 ARG HB2 1 69 ARG HD3 4.223 . 6.453 3.077 2.475 3.720 . 0 0 "[ . 1 . 2]" 1
1052 1 69 ARG HB2 1 69 ARG QG 2.731 . 3.664 2.322 2.162 2.509 . 0 0 "[ . 1 . 2]" 1
1053 1 69 ARG HB3 1 69 ARG HD2 2.221 . 2.838 3.156 2.448 3.710 0.872 11 8 "[ . ** 1+* . *-**]" 1
1054 1 69 ARG HB3 1 69 ARG HD3 4.095 . 6.191 2.943 2.438 3.941 . 0 0 "[ . 1 . 2]" 1
1055 1 69 ARG HD2 1 69 ARG QG . . 3.064 2.286 2.155 2.387 . 0 0 "[ . 1 . 2]" 1
1056 1 69 ARG HD3 1 69 ARG QG 3.091 . 4.286 2.316 2.176 2.457 . 0 0 "[ . 1 . 2]" 1
1057 1 69 ARG QG 1 70 GLY H 4.658 . 7.361 4.044 3.027 4.411 . 0 0 "[ . 1 . 2]" 1
1058 1 70 GLY H 1 71 ILE H 3.009 . 4.140 2.723 2.238 3.264 . 0 0 "[ . 1 . 2]" 1
1059 1 70 GLY H 2 76 TRP HE1 5.000 . 5.000 4.840 3.603 6.545 1.545 16 4 "[ . 1 *.+-* 2]" 1
1060 1 70 GLY H 2 112 LEU QD 5.000 . 5.000 4.404 2.981 5.223 0.223 18 0 "[ . 1 . 2]" 1
1061 1 70 GLY QA 2 76 TRP HE1 5.000 . 5.000 3.916 2.710 5.327 0.327 16 0 "[ . 1 . 2]" 1
1062 1 70 GLY QA 2 112 LEU QD 5.000 . 5.000 2.919 2.317 3.698 . 0 0 "[ . 1 . 2]" 1
1063 1 70 GLY QA 2 112 LEU HG 5.000 . 5.000 5.535 4.761 6.547 1.547 17 10 "[*** .* ** * . +* -]" 1
1064 1 70 GLY HA2 1 71 ILE MD 4.185 . 6.374 5.168 4.825 5.376 . 0 0 "[ . 1 . 2]" 1
1065 1 70 GLY HA3 1 71 ILE H 4.079 . 6.159 2.967 2.728 3.282 . 0 0 "[ . 1 . 2]" 1
1066 1 70 GLY HA3 1 71 ILE HA 5.022 . 8.175 4.357 4.274 4.451 . 0 0 "[ . 1 . 2]" 1
1067 1 70 GLY HA3 1 71 ILE MD 4.942 . 7.995 4.194 3.784 4.459 . 0 0 "[ . 1 . 2]" 1
1068 1 71 ILE H 1 71 ILE HA 2.887 . 3.929 2.844 2.771 2.884 . 0 0 "[ . 1 . 2]" 1
1069 1 71 ILE H 1 71 ILE HB 2.430 . 3.168 2.537 2.423 2.712 . 0 0 "[ . 1 . 2]" 1
1070 1 71 ILE H 1 71 ILE MD 3.037 . 4.190 3.215 2.954 3.522 . 0 0 "[ . 1 . 2]" 1
1071 1 71 ILE H 1 71 ILE HG12 2.021 . 2.532 2.150 1.875 2.386 . 0 0 "[ . 1 . 2]" 1
1072 1 71 ILE H 1 71 ILE MG 3.380 . 4.808 3.767 3.749 3.795 . 0 0 "[ . 1 . 2]" 1
1073 1 71 ILE H 1 72 ASP H 4.276 . 6.562 4.517 4.008 4.606 . 0 0 "[ . 1 . 2]" 1
1074 1 71 ILE H 2 112 LEU QD 5.000 . 5.000 4.654 4.199 5.348 0.348 17 0 "[ . 1 . 2]" 1
1075 1 71 ILE HA 1 71 ILE MD 2.354 . 3.047 2.065 1.992 2.290 . 0 0 "[ . 1 . 2]" 1
1076 1 71 ILE HA 1 71 ILE HG12 3.547 . 5.120 3.095 2.959 3.245 . 0 0 "[ . 1 . 2]" 1
1077 1 71 ILE HA 1 71 ILE HG13 3.149 . 4.389 3.747 3.703 3.882 . 0 0 "[ . 1 . 2]" 1
1078 1 71 ILE HA 1 71 ILE MG 2.559 . 3.377 2.393 2.251 2.469 . 0 0 "[ . 1 . 2]" 1
1079 1 71 ILE HA 1 72 ASP H 2.498 . 3.278 2.188 2.127 2.553 . 0 0 "[ . 1 . 2]" 1
1080 1 71 ILE HA 1 112 LEU QD 3.192 . 4.466 4.154 3.857 5.059 0.593 20 1 "[ . 1 . +]" 1
1081 1 71 ILE HB 1 71 ILE MD 3.279 . 4.623 3.239 3.232 3.243 . 0 0 "[ . 1 . 2]" 1
1082 1 71 ILE HB 1 71 ILE HG12 2.584 . 3.419 2.455 2.417 2.493 . 0 0 "[ . 1 . 2]" 1
1083 1 71 ILE HB 1 71 ILE HG13 2.692 . 3.598 2.453 2.419 2.481 . 0 0 "[ . 1 . 2]" 1
1084 1 71 ILE HB 1 71 ILE MG 2.288 . 2.942 2.126 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
1085 1 71 ILE HB 1 112 LEU QD 3.272 . 4.610 3.939 3.627 5.027 0.417 20 0 "[ . 1 . 2]" 1
1086 1 71 ILE MD 1 71 ILE HG12 2.040 . 2.560 2.118 2.116 2.120 . 0 0 "[ . 1 . 2]" 1
1087 1 71 ILE MD 1 71 ILE HG13 2.919 . 3.984 2.121 2.119 2.123 . 0 0 "[ . 1 . 2]" 1
1088 1 71 ILE MD 1 71 ILE MG 2.022 . 2.533 1.982 1.929 2.023 . 0 0 "[ . 1 . 2]" 1
1089 1 71 ILE MD 1 72 ASP H 3.400 . 4.845 3.670 3.492 4.106 . 0 0 "[ . 1 . 2]" 1
1090 1 71 ILE MD 1 72 ASP HB3 5.072 . 8.288 5.745 5.032 6.977 . 0 0 "[ . 1 . 2]" 1
1091 1 71 ILE MD 1 76 TRP QB 3.604 . 5.227 3.973 3.569 4.454 . 0 0 "[ . 1 . 2]" 1
1092 1 71 ILE MD 1 112 LEU QD . . 1.993 2.009 1.832 2.475 0.482 20 0 "[ . 1 . 2]" 1
1093 1 71 ILE MD 2 14 VAL HB 5.000 . 5.000 3.853 3.411 4.602 . 0 0 "[ . 1 . 2]" 1
1094 1 71 ILE MD 2 112 LEU QD 5.000 . 5.000 4.363 3.697 4.770 . 0 0 "[ . 1 . 2]" 1
1095 1 71 ILE HG12 1 71 ILE MG 2.902 . 3.955 3.201 3.189 3.207 . 0 0 "[ . 1 . 2]" 1
1096 1 71 ILE HG13 1 71 ILE MG 2.100 . 2.651 2.351 2.308 2.404 . 0 0 "[ . 1 . 2]" 1
1097 1 71 ILE MG 1 72 ASP H 2.504 . 3.288 2.586 1.614 3.566 0.278 19 0 "[ . 1 . 2]" 1
1098 1 71 ILE MG 1 73 SER H 3.227 . 4.529 3.455 1.674 4.397 0.251 15 0 "[ . 1 . 2]" 1
1099 1 71 ILE MG 1 76 TRP H 4.047 . 6.094 4.125 3.654 4.905 . 0 0 "[ . 1 . 2]" 1
1100 1 71 ILE MG 1 76 TRP QB 2.791 . 3.186 2.370 1.992 3.167 . 0 0 "[ . 1 . 2]" 1
1101 1 71 ILE MG 1 76 TRP HE1 4.326 . 6.665 5.450 4.837 6.515 . 0 0 "[ . 1 . 2]" 1
1102 1 71 ILE MG 1 78 SER HB3 3.718 . 5.446 3.407 2.225 3.958 . 0 0 "[ . 1 . 2]" 1
1103 1 72 ASP H 1 72 ASP HB3 2.828 . 3.828 2.760 2.364 4.101 0.273 13 0 "[ . 1 . 2]" 1
1104 1 72 ASP H 1 73 SER H 3.685 . 5.383 3.892 2.647 4.483 . 0 0 "[ . 1 . 2]" 1
1105 1 72 ASP H 1 76 TRP QB 3.151 . 4.392 4.249 2.893 6.126 1.734 19 4 "[ . 1 *.- +*]" 1
1106 1 72 ASP H 1 76 TRP HE1 4.712 . 7.487 6.487 5.327 8.626 1.139 19 3 "[ . 1 .- +*]" 1
1107 1 72 ASP HA 1 73 SER H 2.344 . 3.031 2.389 2.120 3.541 0.510 16 1 "[ . 1 .+ 2]" 1
1108 1 72 ASP HA 1 74 LYS H 3.768 . 5.542 4.154 3.243 6.141 0.599 14 3 "[ - 1 +. *]" 1
1109 1 72 ASP HB3 1 73 SER H 4.658 . 7.370 4.117 2.454 4.472 . 0 0 "[ . 1 . 2]" 1
1110 1 73 SER H 1 73 SER HA 2.695 . 3.603 2.776 2.256 2.937 . 0 0 "[ . 1 . 2]" 1
1111 1 73 SER H 1 73 SER HB2 2.822 . 3.817 3.042 2.427 3.621 . 0 0 "[ . 1 . 2]" 1
1112 1 73 SER H 1 73 SER HB3 3.700 . 5.411 3.193 2.595 4.043 . 0 0 "[ . 1 . 2]" 1
1113 1 73 SER H 1 74 LYS H 2.727 . 3.657 2.982 2.424 4.321 0.664 20 4 "[ * 1 *. -+]" 1
1114 1 73 SER H 1 74 LYS QB 4.846 . 7.781 4.762 4.166 5.860 . 0 0 "[ . 1 . 2]" 1
1115 1 73 SER H 1 75 HIS H 4.007 . 6.014 4.449 3.750 5.175 . 0 0 "[ . 1 . 2]" 1
1116 1 73 SER H 1 76 TRP H 3.970 . 5.940 4.444 3.202 4.912 . 0 0 "[ . 1 . 2]" 1
1117 1 73 SER H 1 76 TRP QB 3.170 . 4.426 4.644 2.843 5.593 1.167 3 11 "[-*+*.** *** . ** 2]" 1
1118 1 73 SER HA 1 74 LYS H 3.308 . 4.676 3.115 2.184 3.581 . 0 0 "[ . 1 . 2]" 1
1119 1 73 SER HA 1 75 HIS H 4.302 . 6.615 4.220 3.440 5.847 . 0 0 "[ . 1 . 2]" 1
1120 1 73 SER HA 1 76 TRP H 3.295 . 4.652 3.703 2.834 5.750 1.098 13 1 "[ . 1 + . 2]" 1
1121 1 73 SER HB3 1 74 LYS H 3.535 . 5.097 3.973 2.758 4.552 . 0 0 "[ . 1 . 2]" 1
1122 1 73 SER HB3 1 76 TRP H 5.058 . 8.256 5.052 2.619 6.084 . 0 0 "[ . 1 . 2]" 1
1123 1 74 LYS H 1 74 LYS HA 2.625 . 3.486 2.897 2.816 2.941 . 0 0 "[ . 1 . 2]" 1
1124 1 74 LYS H 1 74 LYS QB 2.548 . 3.151 2.372 2.206 2.616 . 0 0 "[ . 1 . 2]" 1
1125 1 74 LYS H 1 74 LYS HD2 4.315 . 6.643 5.313 4.697 6.077 . 0 0 "[ . 1 . 2]" 1
1126 1 74 LYS H 1 74 LYS HD3 4.440 . 6.904 5.066 3.730 6.005 . 0 0 "[ . 1 . 2]" 1
1127 1 74 LYS H 1 74 LYS HE2 4.822 . 7.729 4.357 3.801 5.520 . 0 0 "[ . 1 . 2]" 1
1128 1 74 LYS H 1 74 LYS HE3 4.710 . 7.483 4.683 4.067 5.568 . 0 0 "[ . 1 . 2]" 1
1129 1 74 LYS H 1 74 LYS QG 4.175 . 6.000 3.246 2.239 4.030 . 0 0 "[ . 1 . 2]" 1
1130 1 74 LYS H 1 75 HIS H 2.442 . 3.187 2.312 2.017 2.611 . 0 0 "[ . 1 . 2]" 1
1131 1 74 LYS H 1 75 HIS HB2 4.358 . 6.732 4.573 4.269 5.115 . 0 0 "[ . 1 . 2]" 1
1132 1 74 LYS H 1 76 TRP H 3.714 . 5.438 3.532 2.938 4.176 . 0 0 "[ . 1 . 2]" 1
1133 1 74 LYS HA 1 74 LYS HD2 4.173 . 6.350 4.558 4.246 4.847 . 0 0 "[ . 1 . 2]" 1
1134 1 74 LYS HA 1 74 LYS HD3 4.120 . 6.242 4.614 4.160 4.907 . 0 0 "[ . 1 . 2]" 1
1135 1 74 LYS HA 1 74 LYS HE2 5.418 . 9.088 4.909 4.465 5.249 . 0 0 "[ . 1 . 2]" 1
1136 1 74 LYS HA 1 74 LYS HE3 5.634 . 9.602 4.891 4.436 5.288 . 0 0 "[ . 1 . 2]" 1
1137 1 74 LYS HA 1 74 LYS QG 3.007 . 4.137 2.449 2.385 2.522 . 0 0 "[ . 1 . 2]" 1
1138 1 74 LYS HA 1 75 HIS H 3.276 . 4.618 3.476 3.212 3.591 . 0 0 "[ . 1 . 2]" 1
1139 1 74 LYS HA 1 76 TRP H 4.194 . 6.393 4.345 3.581 4.791 . 0 0 "[ . 1 . 2]" 1
1140 1 74 LYS QB 1 74 LYS HD2 . . 3.332 2.731 2.321 3.291 . 0 0 "[ . 1 . 2]" 1
1141 1 74 LYS QB 1 74 LYS HD3 3.195 . 4.471 2.918 2.328 3.301 . 0 0 "[ . 1 . 2]" 1
1142 1 74 LYS QB 1 74 LYS HE2 2.354 . 2.553 2.465 1.958 2.847 0.294 7 0 "[ . 1 . 2]" 1
1143 1 74 LYS QB 1 74 LYS HE3 . . 3.388 2.319 1.957 2.854 0.022 15 0 "[ . 1 . 2]" 1
1144 1 74 LYS QB 1 74 LYS QG 2.476 . 3.242 2.085 2.080 2.089 . 0 0 "[ . 1 . 2]" 1
1145 1 74 LYS QB 1 75 HIS H . . 3.460 2.720 2.250 3.416 . 0 0 "[ . 1 . 2]" 1
1146 1 74 LYS QB 1 76 TRP H 4.450 . 6.926 4.530 4.184 4.863 . 0 0 "[ . 1 . 2]" 1
1147 1 74 LYS HD2 1 74 LYS HE3 2.639 . 3.510 2.430 2.397 2.479 . 0 0 "[ . 1 . 2]" 1
1148 1 74 LYS HD2 1 74 LYS QG 2.248 . 2.880 2.278 2.174 2.356 . 0 0 "[ . 1 . 2]" 1
1149 1 74 LYS HD3 1 74 LYS HE2 2.807 . 3.792 2.455 2.406 2.490 . 0 0 "[ . 1 . 2]" 1
1150 1 74 LYS HD3 1 74 LYS HE3 2.343 . 3.029 3.011 3.009 3.014 . 0 0 "[ . 1 . 2]" 1
1151 1 74 LYS HD3 1 74 LYS QG 2.385 . 3.096 2.240 2.172 2.350 . 0 0 "[ . 1 . 2]" 1
1152 1 74 LYS HE2 1 74 LYS QG 3.701 . 4.093 2.647 2.408 2.994 . 0 0 "[ . 1 . 2]" 1
1153 1 74 LYS HE3 1 74 LYS QG . . 2.688 2.765 2.438 2.983 0.295 11 0 "[ . 1 . 2]" 1
1154 1 74 LYS QG 1 75 HIS H 4.605 . 6.010 3.945 3.515 4.346 . 0 0 "[ . 1 . 2]" 1
1155 1 74 LYS QG 1 75 HIS HD2 5.979 . 10.447 5.297 3.686 8.679 . 0 0 "[ . 1 . 2]" 1
1156 1 75 HIS H 1 75 HIS HA 2.948 . 4.034 2.926 2.880 2.951 . 0 0 "[ . 1 . 2]" 1
1157 1 75 HIS H 1 75 HIS HB2 2.635 . 3.503 2.524 2.333 2.995 . 0 0 "[ . 1 . 2]" 1
1158 1 75 HIS H 1 75 HIS HB3 3.267 . 4.601 3.433 2.455 3.718 . 0 0 "[ . 1 . 2]" 1
1159 1 75 HIS H 1 76 TRP H 2.176 . 2.768 2.204 1.880 2.367 . 0 0 "[ . 1 . 2]" 1
1160 1 75 HIS H 1 115 LYS QB 5.593 . 8.617 6.732 5.483 8.183 . 0 0 "[ . 1 . 2]" 1
1161 1 75 HIS HA 1 75 HIS HD2 3.685 . 5.382 3.549 2.659 4.261 . 0 0 "[ . 1 . 2]" 1
1162 1 75 HIS HA 1 76 TRP H 3.481 . 4.996 3.414 3.076 3.510 . 0 0 "[ . 1 . 2]" 1
1163 1 75 HIS HA 1 114 ARG HD3 5.476 . 9.225 6.250 4.246 8.300 . 0 0 "[ . 1 . 2]" 1
1164 1 75 HIS HA 1 115 LYS QB 4.674 . 7.405 4.852 2.881 5.718 . 0 0 "[ . 1 . 2]" 1
1165 1 75 HIS HB2 1 75 HIS HD2 3.499 . 5.030 3.322 2.769 3.967 . 0 0 "[ . 1 . 2]" 1
1166 1 75 HIS HB2 1 76 TRP HE1 3.487 . 5.007 4.476 3.588 5.831 0.824 11 2 "[ . 1+ . -2]" 1
1167 1 75 HIS HB3 1 75 HIS HD2 3.532 . 5.092 3.505 2.757 3.977 . 0 0 "[ . 1 . 2]" 1
1168 1 75 HIS HB3 1 76 TRP H 4.259 . 6.527 3.769 2.893 4.345 . 0 0 "[ . 1 . 2]" 1
1169 1 76 TRP H 1 76 TRP HA 2.924 . 3.993 2.938 2.918 2.944 . 0 0 "[ . 1 . 2]" 1
1170 1 76 TRP H 1 76 TRP QB 2.778 . 3.743 2.606 2.498 2.748 . 0 0 "[ . 1 . 2]" 1
1171 1 76 TRP H 1 76 TRP HE1 4.909 . 7.922 5.690 5.276 6.453 . 0 0 "[ . 1 . 2]" 1
1172 1 76 TRP H 1 77 ASN H 4.005 . 6.010 4.313 4.043 4.451 . 0 0 "[ . 1 . 2]" 1
1173 1 76 TRP H 1 112 LEU QD 4.305 . 6.621 4.997 4.685 5.428 . 0 0 "[ . 1 . 2]" 1
1174 1 76 TRP H 1 115 LYS QB 4.040 . 6.080 5.999 4.755 7.366 1.286 15 5 "[ *. 1 +*- *2]" 1
1175 1 76 TRP H 1 115 LYS QD 3.041 . 4.197 4.225 2.901 7.489 3.292 15 6 "[- *. 1 +** *2]" 1
1176 1 76 TRP H 1 115 LYS QG 3.131 . 4.356 4.535 3.731 6.214 1.858 15 5 "[ *. 1 +** -2]" 1
1177 1 76 TRP HA 1 76 TRP QB 3.749 . 5.126 2.393 2.359 2.430 . 0 0 "[ . 1 . 2]" 1
1178 1 76 TRP HA 1 77 ASN H 2.347 . 3.036 2.180 2.112 2.272 . 0 0 "[ . 1 . 2]" 1
1179 1 76 TRP HA 1 112 LEU QD 4.995 . 6.369 4.161 3.814 4.338 . 0 0 "[ . 1 . 2]" 1
1180 1 76 TRP HA 1 114 ARG HA 4.258 . 6.525 3.248 2.746 3.969 . 0 0 "[ . 1 . 2]" 1
1181 1 76 TRP HA 1 115 LYS H 3.972 . 5.944 4.359 3.449 4.894 . 0 0 "[ . 1 . 2]" 1
1182 1 76 TRP HA 1 115 LYS QG 3.275 . 4.616 3.393 2.622 5.519 0.903 15 1 "[ . 1 + 2]" 1
1183 1 76 TRP QB 1 76 TRP HE3 3.336 . 4.727 2.757 2.439 2.974 . 0 0 "[ . 1 . 2]" 1
1184 1 76 TRP QB 1 77 ASN H 4.128 . 6.258 3.052 2.586 3.486 . 0 0 "[ . 1 . 2]" 1
1185 1 76 TRP QB 1 112 LEU QD 3.108 . 3.387 2.152 2.005 2.346 . 0 0 "[ . 1 . 2]" 1
1186 1 76 TRP HD1 1 112 LEU QD 4.668 . 5.246 3.697 3.059 4.119 . 0 0 "[ . 1 . 2]" 1
1187 1 76 TRP HE1 1 112 LEU QD 3.158 . 4.404 3.991 3.566 4.352 . 0 0 "[ . 1 . 2]" 1
1188 1 76 TRP HE1 1 113 SER H 4.970 . 8.057 7.766 5.962 8.249 0.192 2 0 "[ . 1 . 2]" 1
1189 1 76 TRP HE1 2 70 GLY H 5.000 . 5.000 4.837 3.569 6.537 1.537 16 4 "[ . 1 *.+-* 2]" 1
1190 1 76 TRP HE1 2 70 GLY QA 5.000 . 5.000 3.914 2.701 5.332 0.332 16 0 "[ . 1 . 2]" 1
1191 1 76 TRP HE3 1 112 LEU QD 5.161 . 5.448 3.431 3.084 3.975 . 0 0 "[ . 1 . 2]" 1
1192 1 76 TRP HZ2 1 112 LEU QD 3.698 . 5.407 4.347 3.871 4.960 . 0 0 "[ . 1 . 2]" 1
1193 1 76 TRP HZ2 1 114 ARG HG3 6.150 . 10.878 7.099 4.674 10.177 . 0 0 "[ . 1 . 2]" 1
1194 1 76 TRP HZ3 1 114 ARG H 3.302 . 4.665 3.867 3.224 8.210 3.545 16 1 "[ . 1 .+ 2]" 1
1195 1 77 ASN H 1 77 ASN HA 2.963 . 4.061 2.935 2.903 2.955 . 0 0 "[ . 1 . 2]" 1
1196 1 77 ASN H 1 77 ASN HB2 2.889 . 3.932 2.964 2.492 3.858 . 0 0 "[ . 1 . 2]" 1
1197 1 77 ASN H 1 77 ASN HB3 2.800 . 3.780 2.637 2.413 3.657 . 0 0 "[ . 1 . 2]" 1
1198 1 77 ASN H 1 77 ASN HD21 4.351 . 6.717 4.613 3.857 4.993 . 0 0 "[ . 1 . 2]" 1
1199 1 77 ASN H 1 78 SER H 3.890 . 5.782 4.467 4.342 4.578 . 0 0 "[ . 1 . 2]" 1
1200 1 77 ASN H 1 112 LEU HB2 4.231 . 6.469 6.051 5.507 6.401 . 0 0 "[ . 1 . 2]" 1
1201 1 77 ASN H 1 112 LEU QD 4.694 . 7.448 4.264 3.719 4.900 . 0 0 "[ . 1 . 2]" 1
1202 1 77 ASN H 1 113 SER H 2.881 . 3.919 2.610 2.384 2.820 . 0 0 "[ . 1 . 2]" 1
1203 1 77 ASN H 1 113 SER HB3 5.246 . 8.686 4.157 3.172 5.340 . 0 0 "[ . 1 . 2]" 1
1204 1 77 ASN H 1 115 LYS QB 4.826 . 7.738 4.398 3.236 4.654 . 0 0 "[ . 1 . 2]" 1
1205 1 77 ASN H 1 114 ARG HA 3.519 . 5.067 3.723 2.535 4.209 . 0 0 "[ . 1 . 2]" 1
1206 1 77 ASN H 1 115 LYS QD 4.437 . 6.898 4.648 3.355 7.848 0.950 15 1 "[ . 1 + 2]" 1
1207 1 77 ASN H 1 115 LYS QG 3.764 . 5.535 3.389 2.527 5.936 0.401 15 0 "[ . 1 . 2]" 1
1208 1 77 ASN HA 1 78 SER H 2.335 . 3.016 2.231 2.194 2.271 . 0 0 "[ . 1 . 2]" 1
1209 1 77 ASN HA 1 78 SER HA 4.438 . 6.900 4.362 4.310 4.391 . 0 0 "[ . 1 . 2]" 1
1210 1 77 ASN HA 1 79 TYR H 5.661 . 9.666 6.249 6.091 6.434 . 0 0 "[ . 1 . 2]" 1
1211 1 77 ASN HA 1 111 VAL QG 4.848 . 7.786 6.599 5.921 7.654 . 0 0 "[ . 1 . 2]" 1
1212 1 77 ASN HA 1 112 LEU QD 3.376 . 4.800 4.733 4.262 5.151 0.351 17 0 "[ . 1 . 2]" 1
1213 1 77 ASN HA 1 113 SER HB3 6.785 . 12.540 5.938 4.577 7.707 . 0 0 "[ . 1 . 2]" 1
1214 1 77 ASN HB2 1 77 ASN HD21 4.085 . 6.170 2.682 2.218 3.475 . 0 0 "[ . 1 . 2]" 1
1215 1 77 ASN HB2 1 78 SER H 3.594 . 5.209 4.085 2.941 4.232 . 0 0 "[ . 1 . 2]" 1
1216 1 77 ASN HB3 1 77 ASN HD21 2.577 . 3.407 3.087 2.199 3.539 0.132 11 0 "[ . 1 . 2]" 1
1217 1 77 ASN HB3 1 77 ASN HD22 3.730 . 5.469 3.877 3.473 4.087 . 0 0 "[ . 1 . 2]" 1
1218 1 77 ASN HD21 1 115 LYS QG 6.635 . 12.138 5.177 3.738 9.132 . 0 0 "[ . 1 . 2]" 1
1219 1 77 ASN HD22 1 115 LYS QG 6.352 . 11.395 6.121 4.694 10.335 . 0 0 "[ . 1 . 2]" 1
1220 1 78 SER H 1 78 SER HB3 3.248 . 4.567 3.407 2.513 3.847 . 0 0 "[ . 1 . 2]" 1
1221 1 78 SER H 1 79 TYR HB3 3.116 . 6.000 5.372 4.638 6.143 0.143 4 0 "[ . 1 . 2]" 1
1222 1 78 SER H 1 112 LEU QD 4.050 . 6.101 4.406 3.851 4.796 . 0 0 "[ . 1 . 2]" 1
1223 1 78 SER HA 1 79 TYR H 2.469 . 3.231 2.218 2.141 2.468 . 0 0 "[ . 1 . 2]" 1
1224 1 78 SER HA 1 112 LEU HA 3.576 . 5.174 2.765 2.215 3.054 . 0 0 "[ . 1 . 2]" 1
1225 1 78 SER HA 1 112 LEU QD 3.490 . 5.012 2.845 2.363 3.261 . 0 0 "[ . 1 . 2]" 1
1226 1 78 SER HA 1 112 LEU HG 4.439 . 6.902 5.017 4.498 5.373 . 0 0 "[ . 1 . 2]" 1
1227 1 78 SER HA 1 113 SER H 3.941 . 5.882 3.698 3.482 3.986 . 0 0 "[ . 1 . 2]" 1
1228 1 78 SER HB2 1 79 TYR H 3.106 . 4.312 3.763 3.138 4.136 . 0 0 "[ . 1 . 2]" 1
1229 1 78 SER HB3 1 79 TYR H 3.370 . 4.790 3.318 2.807 4.243 . 0 0 "[ . 1 . 2]" 1
1230 1 78 SER HB3 1 112 LEU QD 3.671 . 5.355 3.003 2.214 4.346 . 0 0 "[ . 1 . 2]" 1
1231 1 79 TYR H 1 79 TYR HB2 3.820 . 5.644 3.736 3.272 4.066 . 0 0 "[ . 1 . 2]" 1
1232 1 79 TYR H 1 79 TYR HB3 3.566 . 5.156 3.249 2.727 3.568 . 0 0 "[ . 1 . 2]" 1
1233 1 79 TYR H 1 79 TYR HD1 4.210 . 6.425 4.606 4.362 4.977 . 0 0 "[ . 1 . 2]" 1
1234 1 79 TYR H 1 79 TYR HE1 5.215 . 8.614 6.252 5.565 7.178 . 0 0 "[ . 1 . 2]" 1
1235 1 79 TYR H 1 80 CYS HA 3.783 . 5.572 4.563 4.430 4.745 . 0 0 "[ . 1 . 2]" 1
1236 1 79 TYR H 1 111 VAL H 2.907 . 3.963 2.916 2.674 3.079 . 0 0 "[ . 1 . 2]" 1
1237 1 79 TYR H 1 111 VAL HB 3.419 . 4.880 4.973 4.598 5.332 0.452 11 0 "[ . 1 . 2]" 1
1238 1 79 TYR H 1 111 VAL QG 2.655 . 3.536 2.567 2.081 3.074 . 0 0 "[ . 1 . 2]" 1
1239 1 79 TYR H 1 112 LEU QD 4.019 . 6.038 4.093 3.627 4.566 . 0 0 "[ . 1 . 2]" 1
1240 1 79 TYR HA 1 79 TYR HD1 3.723 . 5.455 4.302 4.105 4.471 . 0 0 "[ . 1 . 2]" 1
1241 1 79 TYR HA 1 80 CYS H 2.710 . 3.628 2.284 2.158 2.549 . 0 0 "[ . 1 . 2]" 1
1242 1 79 TYR HA 1 111 VAL H 3.986 . 5.972 4.808 4.702 4.931 . 0 0 "[ . 1 . 2]" 1
1243 1 79 TYR HB2 1 79 TYR HD1 3.499 . 5.029 2.883 2.330 3.643 . 0 0 "[ . 1 . 2]" 1
1244 1 79 TYR HB2 1 79 TYR HE1 5.149 . 8.463 4.947 4.628 5.404 . 0 0 "[ . 1 . 2]" 1
1245 1 79 TYR HB3 1 79 TYR HD1 3.522 . 5.073 3.132 2.317 3.709 . 0 0 "[ . 1 . 2]" 1
1246 1 79 TYR HB3 1 79 TYR HE1 5.240 . 8.672 5.103 4.616 5.451 . 0 0 "[ . 1 . 2]" 1
1247 1 79 TYR HB3 1 80 CYS H 4.426 . 6.875 3.936 3.620 4.177 . 0 0 "[ . 1 . 2]" 1
1248 1 79 TYR HD1 1 81 THR H 5.242 . 8.676 4.636 4.087 5.117 . 0 0 "[ . 1 . 2]" 1
1249 1 79 TYR HD1 1 81 THR HB 3.533 . 5.093 4.426 3.037 5.170 0.077 8 0 "[ . 1 . 2]" 1
1250 1 79 TYR HD1 1 111 VAL QG 3.744 . 5.413 3.001 2.176 3.385 . 0 0 "[ . 1 . 2]" 1
1251 1 79 TYR HE1 1 81 THR HB 3.769 . 5.545 4.466 2.096 5.397 . 0 0 "[ . 1 . 2]" 1
1252 1 79 TYR HE1 1 81 THR MG 3.595 . 5.210 3.577 2.813 4.114 . 0 0 "[ . 1 . 2]" 1
1253 1 79 TYR HE1 1 111 VAL QG 3.108 . 4.315 3.485 2.608 4.874 0.559 6 1 "[ .+ 1 . 2]" 1
1254 1 80 CYS H 1 80 CYS HB2 2.827 . 3.826 2.544 2.456 2.665 . 0 0 "[ . 1 . 2]" 1
1255 1 80 CYS H 1 81 THR H 4.623 . 7.294 4.457 4.364 4.508 . 0 0 "[ . 1 . 2]" 1
1256 1 80 CYS H 1 110 CYS HA 4.599 . 7.243 4.581 4.257 4.947 . 0 0 "[ . 1 . 2]" 1
1257 1 80 CYS HA 1 81 THR H 2.457 . 3.212 2.141 2.113 2.200 . 0 0 "[ . 1 . 2]" 1
1258 1 80 CYS HA 1 109 VAL H 3.826 . 5.655 4.483 4.180 4.795 . 0 0 "[ . 1 . 2]" 1
1259 1 80 CYS HA 1 109 VAL QG 3.870 . 5.742 4.128 3.868 4.376 . 0 0 "[ . 1 . 2]" 1
1260 1 80 CYS HA 1 110 CYS HA 3.380 . 4.808 2.412 2.157 2.701 . 0 0 "[ . 1 . 2]" 1
1261 1 80 CYS HA 1 111 VAL H 3.314 . 4.687 3.379 3.035 3.689 . 0 0 "[ . 1 . 2]" 1
1262 1 80 CYS HB3 1 81 THR H 3.751 . 5.510 3.332 2.943 3.604 . 0 0 "[ . 1 . 2]" 1
1263 1 80 CYS HB3 1 109 VAL H 3.557 . 5.139 4.603 4.161 4.963 . 0 0 "[ . 1 . 2]" 1
1264 1 81 THR H 1 81 THR HB 3.737 . 5.483 2.809 2.646 3.423 . 0 0 "[ . 1 . 2]" 1
1265 1 81 THR H 1 81 THR MG 2.590 . 6.000 3.659 2.314 3.932 . 0 0 "[ . 1 . 2]" 1
1266 1 81 THR H 1 82 THR H 4.580 . 7.202 4.345 4.283 4.431 . 0 0 "[ . 1 . 2]" 1
1267 1 81 THR H 1 109 VAL H 2.765 . 3.720 3.029 2.875 3.168 . 0 0 "[ . 1 . 2]" 1
1268 1 81 THR H 1 109 VAL QG . . 3.296 2.911 2.683 3.143 . 0 0 "[ . 1 . 2]" 1
1269 1 81 THR H 1 110 CYS HA 4.499 . 7.029 3.547 3.112 4.008 . 0 0 "[ . 1 . 2]" 1
1270 1 81 THR H 1 111 VAL H 4.013 . 6.026 3.910 3.557 4.326 . 0 0 "[ . 1 . 2]" 1
1271 1 81 THR H 1 111 VAL QG 3.221 . 4.518 3.289 3.025 3.636 . 0 0 "[ . 1 . 2]" 1
1272 1 81 THR HA 1 81 THR MG 3.348 . 4.749 2.504 2.329 3.220 . 0 0 "[ . 1 . 2]" 1
1273 1 81 THR HA 1 82 THR H 2.603 . 3.450 2.208 2.167 2.291 . 0 0 "[ . 1 . 2]" 1
1274 1 81 THR HA 1 82 THR HB 5.157 . 8.481 5.506 4.668 5.734 . 0 0 "[ . 1 . 2]" 1
1275 1 81 THR HA 1 109 VAL H 4.372 . 6.761 4.731 4.588 4.873 . 0 0 "[ . 1 . 2]" 1
1276 1 81 THR HB 1 81 THR MG 2.224 . 2.842 2.135 2.130 2.138 . 0 0 "[ . 1 . 2]" 1
1277 1 81 THR HB 1 82 THR H 4.112 . 6.226 4.085 3.986 4.141 . 0 0 "[ . 1 . 2]" 1
1278 1 81 THR HB 1 109 VAL QG 2.345 . 6.000 2.889 2.166 4.338 . 0 0 "[ . 1 . 2]" 1
1279 1 81 THR MG 1 82 THR H 2.971 . 4.074 2.770 2.481 3.874 . 0 0 "[ . 1 . 2]" 1
1280 1 82 THR H 1 82 THR HB 3.052 . 4.216 3.385 2.604 3.618 . 0 0 "[ . 1 . 2]" 1
1281 1 82 THR H 1 82 THR MG 2.894 . 3.941 2.838 1.980 3.804 . 0 0 "[ . 1 . 2]" 1
1282 1 82 THR H 1 83 THR H 4.365 . 6.746 4.481 4.244 4.566 . 0 0 "[ . 1 . 2]" 1
1283 1 82 THR H 1 109 VAL QG 3.835 . 5.673 4.637 4.416 4.788 . 0 0 "[ . 1 . 2]" 1
1284 1 82 THR HA 1 82 THR MG 2.450 . 3.201 2.300 2.181 3.217 0.016 3 0 "[ . 1 . 2]" 1
1285 1 82 THR HA 1 83 THR H 2.569 . 3.394 2.150 2.110 2.201 . 0 0 "[ . 1 . 2]" 1
1286 1 82 THR HA 1 108 CYS HA 3.174 . 4.433 2.107 1.897 2.546 0.018 18 0 "[ . 1 . 2]" 1
1287 1 82 THR HA 1 109 VAL QG 4.260 . 6.528 3.690 3.458 3.970 . 0 0 "[ . 1 . 2]" 1
1288 1 82 THR HB 1 82 THR MG 2.218 . 2.833 2.131 2.127 2.135 . 0 0 "[ . 1 . 2]" 1
1289 1 82 THR HB 1 83 THR H 3.630 . 5.277 3.468 2.940 4.225 . 0 0 "[ . 1 . 2]" 1
1290 1 82 THR MG 1 83 THR H 3.370 . 4.790 3.586 2.705 3.971 . 0 0 "[ . 1 . 2]" 1
1291 1 82 THR MG 1 107 ALA H 3.138 . 4.369 4.054 2.911 5.616 1.247 3 1 "[ + . 1 . 2]" 1
1292 1 83 THR H 1 83 THR HB 2.717 . 3.640 2.985 2.451 3.603 . 0 0 "[ . 1 . 2]" 1
1293 1 83 THR H 1 83 THR MG 2.759 . 3.711 2.961 1.978 3.818 0.107 17 0 "[ . 1 . 2]" 1
1294 1 83 THR H 1 107 ALA H 2.875 . 3.908 2.961 2.613 3.257 . 0 0 "[ . 1 . 2]" 1
1295 1 83 THR H 1 108 CYS HA 3.859 . 5.720 3.293 3.001 3.590 . 0 0 "[ . 1 . 2]" 1
1296 1 83 THR H 1 109 VAL H 4.286 . 6.583 3.793 3.527 4.151 . 0 0 "[ . 1 . 2]" 1
1297 1 83 THR H 1 109 VAL QG 2.996 . 4.118 3.278 2.955 3.509 . 0 0 "[ . 1 . 2]" 1
1298 1 83 THR HA 1 83 THR MG 2.706 . 3.621 2.533 2.241 3.225 . 0 0 "[ . 1 . 2]" 1
1299 1 83 THR HA 1 84 HIS H 2.616 . 3.472 2.242 2.141 2.519 . 0 0 "[ . 1 . 2]" 1
1300 1 83 THR HA 1 107 ALA H 3.479 . 4.992 4.981 4.692 5.414 0.422 7 0 "[ . 1 . 2]" 1
1301 1 83 THR HB 1 83 THR MG 2.068 . 2.602 2.134 2.128 2.137 . 0 0 "[ . 1 . 2]" 1
1302 1 83 THR HB 1 84 HIS H 3.107 . 4.314 3.661 2.594 4.121 . 0 0 "[ . 1 . 2]" 1
1303 1 83 THR MG 1 84 HIS H 2.436 . 3.177 3.198 2.346 3.852 0.675 9 6 "[- . +* ** *]" 1
1304 1 83 THR MG 1 84 HIS HA 4.181 . 6.366 4.489 3.624 5.532 . 0 0 "[ . 1 . 2]" 1
1305 1 83 THR MG 1 109 VAL QG 1.679 . 6.000 2.795 1.914 3.914 . 0 0 "[ . 1 . 2]" 1
1306 1 84 HIS H 1 84 HIS HB2 3.237 . 4.547 3.291 2.500 3.874 . 0 0 "[ . 1 . 2]" 1
1307 1 84 HIS H 1 84 HIS HB3 3.947 . 5.895 3.425 2.994 3.801 . 0 0 "[ . 1 . 2]" 1
1308 1 84 HIS H 1 85 THR H 4.384 . 6.786 4.380 4.237 4.473 . 0 0 "[ . 1 . 2]" 1
1309 1 84 HIS H 1 85 THR HB 4.630 . 7.309 5.424 5.163 5.778 . 0 0 "[ . 1 . 2]" 1
1310 1 84 HIS H 1 106 THR H 4.219 . 6.444 4.726 4.443 4.950 . 0 0 "[ . 1 . 2]" 1
1311 1 84 HIS HA 1 84 HIS HD2 4.694 . 7.448 4.236 2.867 4.728 . 0 0 "[ . 1 . 2]" 1
1312 1 84 HIS HA 1 85 THR H 2.639 . 3.510 2.156 2.100 2.228 . 0 0 "[ . 1 . 2]" 1
1313 1 84 HIS HA 1 85 THR MG 4.363 . 6.742 3.902 3.678 4.186 . 0 0 "[ . 1 . 2]" 1
1314 1 84 HIS HA 1 106 THR H 3.390 . 4.826 2.912 2.544 3.535 . 0 0 "[ . 1 . 2]" 1
1315 1 84 HIS HA 1 107 ALA H 4.890 . 7.879 4.815 4.256 5.356 . 0 0 "[ . 1 . 2]" 1
1316 1 84 HIS HB2 1 85 THR H 3.962 . 5.924 3.565 2.751 4.317 . 0 0 "[ . 1 . 2]" 1
1317 1 84 HIS HB2 1 106 THR H 5.128 . 8.415 5.529 4.973 6.176 . 0 0 "[ . 1 . 2]" 1
1318 1 84 HIS HB3 1 85 THR H 2.971 . 4.075 3.749 3.049 4.191 0.116 3 0 "[ . 1 . 2]" 1
1319 1 85 THR H 1 85 THR HB 2.884 . 3.924 2.966 2.787 3.123 . 0 0 "[ . 1 . 2]" 1
1320 1 85 THR H 1 85 THR MG 2.334 . 3.015 2.221 2.086 2.361 . 0 0 "[ . 1 . 2]" 1
1321 1 85 THR H 1 86 PHE H 4.273 . 6.555 4.478 4.409 4.514 . 0 0 "[ . 1 . 2]" 1
1322 1 85 THR H 1 86 PHE HA 4.097 . 6.196 4.873 4.722 4.980 . 0 0 "[ . 1 . 2]" 1
1323 1 85 THR H 1 87 VAL QG 4.584 . 7.211 4.378 4.199 4.666 . 0 0 "[ . 1 . 2]" 1
1324 1 85 THR H 1 104 ILE H 2.944 . 4.027 2.766 2.606 2.994 . 0 0 "[ . 1 . 2]" 1
1325 1 85 THR H 1 104 ILE HA 3.728 . 5.465 4.727 4.639 4.848 . 0 0 "[ . 1 . 2]" 1
1326 1 85 THR H 1 106 THR H 4.146 . 6.295 3.761 3.383 4.122 . 0 0 "[ . 1 . 2]" 1
1327 1 85 THR H 1 106 THR MG 2.898 . 3.948 3.587 2.856 5.162 1.214 20 1 "[ . 1 . +]" 1
1328 1 85 THR HA 1 85 THR HG1 4.493 . 7.016 3.313 3.090 3.543 . 0 0 "[ . 1 . 2]" 1
1329 1 85 THR HA 1 85 THR MG 3.579 . 5.180 3.212 3.195 3.221 . 0 0 "[ . 1 . 2]" 1
1330 1 85 THR HA 1 86 PHE H 3.224 . 4.523 2.469 2.393 2.600 . 0 0 "[ . 1 . 2]" 1
1331 1 85 THR HA 1 86 PHE HA 4.313 . 6.638 4.366 4.327 4.444 . 0 0 "[ . 1 . 2]" 1
1332 1 85 THR HA 1 86 PHE HD1 4.116 . 6.234 5.081 3.504 6.156 . 0 0 "[ . 1 . 2]" 1
1333 1 85 THR HA 1 86 PHE HE1 5.797 . 9.998 5.879 4.513 6.820 . 0 0 "[ . 1 . 2]" 1
1334 1 85 THR HA 1 87 VAL QG 3.366 . 4.782 5.030 4.893 5.232 0.450 6 0 "[ . 1 . 2]" 1
1335 1 85 THR HA 2 106 THR MG 5.000 . 5.000 6.538 3.328 9.911 4.911 1 16 "[+***** *******-**2]" 1
1336 1 85 THR HB 1 85 THR MG 2.224 . 2.842 2.135 2.131 2.138 . 0 0 "[ . 1 . 2]" 1
1337 1 85 THR HB 1 86 PHE H 4.151 . 6.305 3.861 3.684 3.954 . 0 0 "[ . 1 . 2]" 1
1338 1 85 THR HB 1 104 ILE MD 3.921 . 5.843 5.105 4.613 5.546 . 0 0 "[ . 1 . 2]" 1
1339 1 85 THR HB 1 106 THR MG 2.151 . 2.729 2.672 2.117 4.534 1.805 20 1 "[ . 1 . +]" 1
1340 1 85 THR HG1 1 85 THR MG 3.092 . 4.287 2.520 2.179 2.755 . 0 0 "[ . 1 . 2]" 1
1341 1 85 THR HG1 1 86 PHE H 3.307 . 4.674 3.280 2.996 3.467 . 0 0 "[ . 1 . 2]" 1
1342 1 85 THR MG 1 86 PHE H 2.728 . 3.658 3.125 2.937 3.413 . 0 0 "[ . 1 . 2]" 1
1343 1 85 THR MG 1 86 PHE HA 3.690 . 5.392 3.755 3.592 3.901 . 0 0 "[ . 1 . 2]" 1
1344 1 85 THR MG 1 87 VAL HA 2.878 . 6.000 4.417 3.944 5.088 . 0 0 "[ . 1 . 2]" 1
1345 1 85 THR MG 1 87 VAL HB 2.784 . 6.000 4.904 4.629 5.377 . 0 0 "[ . 1 . 2]" 1
1346 1 85 THR MG 1 104 ILE H 2.941 . 4.022 3.117 2.925 3.288 . 0 0 "[ . 1 . 2]" 1
1347 1 85 THR MG 1 106 THR HA 3.511 . 5.052 4.028 3.252 5.338 0.286 7 0 "[ . 1 . 2]" 1
1348 1 85 THR MG 1 106 THR MG 1.852 . 2.281 2.388 1.927 3.111 0.830 20 2 "[ . - 1 . +]" 1
1349 1 85 THR MG 2 106 THR MG 5.000 . 5.000 3.800 2.558 6.121 1.121 1 1 "[+ . 1 . 2]" 1
1350 1 86 PHE H 1 86 PHE HB2 4.004 . 6.008 2.574 2.486 2.746 . 0 0 "[ . 1 . 2]" 1
1351 1 86 PHE H 1 86 PHE HB3 3.523 . 5.074 3.730 3.684 3.830 . 0 0 "[ . 1 . 2]" 1
1352 1 86 PHE H 1 86 PHE HD1 4.270 . 6.549 4.216 2.968 5.059 . 0 0 "[ . 1 . 2]" 1
1353 1 86 PHE H 1 87 VAL QG 3.328 . 4.713 3.976 3.764 4.110 . 0 0 "[ . 1 . 2]" 1
1354 1 86 PHE H 2 54 PHE QD 5.000 . 5.000 4.543 3.530 5.058 0.058 5 0 "[ . 1 . 2]" 1
1355 1 86 PHE HA 1 86 PHE HD1 3.456 . 4.949 3.248 2.681 4.175 . 0 0 "[ . 1 . 2]" 1
1356 1 86 PHE HA 1 87 VAL H 2.549 . 3.361 2.119 2.098 2.133 . 0 0 "[ . 1 . 2]" 1
1357 1 86 PHE HA 1 87 VAL QG 4.116 . 6.234 3.301 3.271 3.336 . 0 0 "[ . 1 . 2]" 1
1358 1 86 PHE HB2 1 86 PHE HE1 4.996 . 8.116 5.163 4.634 5.455 . 0 0 "[ . 1 . 2]" 1
1359 1 86 PHE HB2 1 87 VAL H 3.487 . 5.007 4.320 4.244 4.402 . 0 0 "[ . 1 . 2]" 1
1360 1 86 PHE HB2 1 87 VAL QG 4.462 . 6.950 4.839 4.753 4.880 . 0 0 "[ . 1 . 2]" 1
1361 1 86 PHE HB3 1 102 ILE H 4.856 . 7.804 3.985 3.837 4.191 . 0 0 "[ . 1 . 2]" 1
1362 1 86 PHE HD1 1 103 ARG HG2 4.825 . 7.736 5.505 4.207 7.824 0.088 6 0 "[ . 1 . 2]" 1
1363 1 86 PHE HE1 1 103 ARG HA 5.295 . 8.800 4.720 3.924 6.010 . 0 0 "[ . 1 . 2]" 1
1364 1 86 PHE HZ 1 103 ARG HB3 2.756 . 3.705 3.636 3.111 4.359 0.654 18 1 "[ . 1 . + 2]" 1
1365 1 87 VAL H 1 87 VAL HB 3.203 . 4.486 3.739 3.713 3.766 . 0 0 "[ . 1 . 2]" 1
1366 1 87 VAL H 1 87 VAL QG 2.686 . 2.996 1.983 1.930 2.037 . 0 0 "[ . 1 . 2]" 1
1367 1 87 VAL H 1 101 PHE HB2 3.856 . 5.715 5.758 5.468 6.041 0.326 2 0 "[ . 1 . 2]" 1
1368 1 87 VAL H 1 101 PHE HB3 4.800 . 7.679 4.330 3.984 4.634 . 0 0 "[ . 1 . 2]" 1
1369 1 87 VAL H 1 102 ILE H 2.785 . 3.754 2.728 2.545 2.940 . 0 0 "[ . 1 . 2]" 1
1370 1 87 VAL H 1 103 ARG HA 3.736 . 5.480 3.710 3.390 3.918 . 0 0 "[ . 1 . 2]" 1
1371 1 87 VAL HA 1 87 VAL HB 2.763 . 3.717 2.493 2.467 2.515 . 0 0 "[ . 1 . 2]" 1
1372 1 87 VAL HA 1 87 VAL QG 2.475 . 3.240 2.272 2.236 2.309 . 0 0 "[ . 1 . 2]" 1
1373 1 87 VAL HA 1 88 LYS H 2.684 . 3.584 2.234 2.126 2.328 . 0 0 "[ . 1 . 2]" 1
1374 1 87 VAL HB 1 87 VAL QG 1.942 . 2.413 1.895 1.892 1.897 . 0 0 "[ . 1 . 2]" 1
1375 1 87 VAL HB 1 88 LYS H 3.194 . 4.469 2.811 2.541 3.134 . 0 0 "[ . 1 . 2]" 1
1376 1 87 VAL HB 1 102 ILE H 3.859 . 5.721 4.986 4.806 5.110 . 0 0 "[ . 1 . 2]" 1
1377 1 87 VAL HB 1 104 ILE MD 3.166 . 4.419 3.920 3.736 4.180 . 0 0 "[ . 1 . 2]" 1
1378 1 87 VAL MG1 1 87 VAL MG2 1.515 . 6.000 2.079 2.068 2.087 . 0 0 "[ . 1 . 2]" 1
1379 1 87 VAL QG 1 88 LYS H 3.888 . 5.777 3.337 3.216 3.487 . 0 0 "[ . 1 . 2]" 1
1380 1 87 VAL QG 1 102 ILE MD 2.737 . 3.183 2.784 2.569 2.974 . 0 0 "[ . 1 . 2]" 1
1381 1 87 VAL QG 1 104 ILE H 3.113 . 4.324 3.540 3.197 4.005 . 0 0 "[ . 1 . 2]" 1
1382 1 87 VAL QG 1 104 ILE MD 1.653 . 1.994 1.878 1.714 2.075 0.081 2 0 "[ . 1 . 2]" 1
1383 1 88 LYS H 1 88 LYS HB3 3.183 . 4.449 3.123 2.642 3.644 . 0 0 "[ . 1 . 2]" 1
1384 1 88 LYS H 1 88 LYS QD 5.352 . 8.933 3.795 3.272 4.193 . 0 0 "[ . 1 . 2]" 1
1385 1 88 LYS H 1 88 LYS HE3 6.477 . 11.721 5.099 3.639 6.137 . 0 0 "[ . 1 . 2]" 1
1386 1 88 LYS H 1 88 LYS HG2 2.520 . 3.314 2.550 1.707 3.686 0.372 7 0 "[ . 1 . 2]" 1
1387 1 88 LYS H 1 88 LYS HG3 3.274 . 4.614 2.778 2.052 3.895 . 0 0 "[ . 1 . 2]" 1
1388 1 88 LYS H 1 102 ILE H 4.441 . 6.906 4.873 4.639 5.047 . 0 0 "[ . 1 . 2]" 1
1389 1 88 LYS HA 1 88 LYS QD 4.566 . 7.172 4.075 2.038 4.460 . 0 0 "[ . 1 . 2]" 1
1390 1 88 LYS HA 1 88 LYS HG2 4.858 . 7.808 3.345 2.576 3.928 . 0 0 "[ . 1 . 2]" 1
1391 1 88 LYS HA 1 88 LYS HG3 3.455 . 4.947 3.575 2.941 3.971 . 0 0 "[ . 1 . 2]" 1
1392 1 88 LYS HB3 1 88 LYS QD 1.808 . 2.217 2.462 2.142 2.965 0.748 19 2 "[ - . 1 . +2]" 1
1393 1 88 LYS QD 1 88 LYS HG2 2.473 . 3.237 2.324 2.172 2.396 . 0 0 "[ . 1 . 2]" 1
1394 1 88 LYS HE3 1 88 LYS HG3 2.213 . 2.825 3.122 2.386 3.704 0.879 18 8 "[ * -* *1 ***. + 2]" 1
1395 1 89 ALA H 1 89 ALA MB 3.624 . 5.265 2.526 2.413 2.547 . 0 0 "[ . 1 . 2]" 1
1396 1 89 ALA H 1 90 LEU QD 4.509 . 7.051 5.933 5.856 6.119 . 0 0 "[ . 1 . 2]" 1
1397 1 89 ALA HA 1 89 ALA MB 3.276 . 4.617 2.131 2.125 2.139 . 0 0 "[ . 1 . 2]" 1
1398 1 89 ALA MB 1 100 ARG H 3.108 . 4.315 3.795 3.687 3.927 . 0 0 "[ . 1 . 2]" 1
1399 1 90 LEU H 1 90 LEU HA 2.636 . 3.505 2.869 2.850 2.890 . 0 0 "[ . 1 . 2]" 1
1400 1 90 LEU HA 1 90 LEU QD 4.304 . 4.367 2.143 2.038 2.210 . 0 0 "[ . 1 . 2]" 1
1401 1 90 LEU HA 1 90 LEU HG 3.569 . 5.162 2.923 2.847 3.007 . 0 0 "[ . 1 . 2]" 1
1402 1 90 LEU HB3 1 90 LEU QD 3.151 . 4.392 2.209 2.179 2.235 . 0 0 "[ . 1 . 2]" 1
1403 1 90 LEU HB3 1 90 LEU HG 2.736 . 3.672 2.545 2.510 2.585 . 0 0 "[ . 1 . 2]" 1
1404 1 90 LEU MD1 1 90 LEU MD2 2.015 . 2.522 2.081 2.078 2.086 . 0 0 "[ . 1 . 2]" 1
1405 1 90 LEU QD 1 97 ALA MB 2.073 . 2.610 2.119 1.882 2.358 . 0 0 "[ . 1 . 2]" 1
1406 1 90 LEU QD 1 98 ALA H 3.436 . 4.912 3.076 2.959 3.174 . 0 0 "[ . 1 . 2]" 1
1407 1 90 LEU QD 1 99 TRP HD1 3.926 . 5.852 3.224 2.957 4.253 . 0 0 "[ . 1 . 2]" 1
1408 1 90 LEU QD 1 99 TRP HZ2 3.432 . 4.904 3.433 3.069 3.783 . 0 0 "[ . 1 . 2]" 1
1409 1 90 LEU QD 1 100 ARG HG2 4.172 . 6.348 5.153 4.805 6.365 0.017 6 0 "[ . 1 . 2]" 1
1410 1 90 LEU HG 1 97 ALA HA 3.647 . 5.309 3.879 3.549 4.242 . 0 0 "[ . 1 . 2]" 1
1411 1 90 LEU HG 1 99 TRP H 4.010 . 6.020 5.577 5.306 5.836 . 0 0 "[ . 1 . 2]" 1
1412 1 91 THR H 1 91 THR MG 2.618 . 3.474 2.817 2.684 2.972 . 0 0 "[ . 1 . 2]" 1
1413 1 91 THR HA 1 91 THR HB 2.938 . 4.017 2.465 2.414 2.501 . 0 0 "[ . 1 . 2]" 1
1414 1 91 THR HA 1 91 THR MG 2.720 . 3.645 2.386 2.338 2.466 . 0 0 "[ . 1 . 2]" 1
1415 1 91 THR HA 1 92 THR H 2.671 . 3.563 2.357 2.251 2.450 . 0 0 "[ . 1 . 2]" 1
1416 1 91 THR HA 1 97 ALA MB 4.155 . 6.313 4.651 4.039 5.192 . 0 0 "[ . 1 . 2]" 1
1417 1 91 THR HA 1 100 ARG HG2 4.953 . 8.020 5.521 5.234 6.603 . 0 0 "[ . 1 . 2]" 1
1418 1 91 THR HB 1 91 THR MG 1.966 . 2.449 2.136 2.134 2.138 . 0 0 "[ . 1 . 2]" 1
1419 1 91 THR HB 1 92 THR H 2.412 . 3.140 2.601 2.395 2.850 . 0 0 "[ . 1 . 2]" 1
1420 1 91 THR HB 1 92 THR HB 4.529 . 7.093 5.534 5.407 5.696 . 0 0 "[ . 1 . 2]" 1
1421 1 92 THR H 1 92 THR HB 3.175 . 4.435 3.110 2.911 3.293 . 0 0 "[ . 1 . 2]" 1
1422 1 92 THR H 1 92 THR MG 2.303 . 2.966 2.092 1.970 2.237 . 0 0 "[ . 1 . 2]" 1
1423 1 92 THR H 1 93 ASP H 3.840 . 5.683 4.271 4.122 4.383 . 0 0 "[ . 1 . 2]" 1
1424 1 92 THR HA 1 92 THR HB 2.865 . 3.891 2.427 2.387 2.457 . 0 0 "[ . 1 . 2]" 1
1425 1 92 THR HA 1 92 THR MG 3.378 . 4.804 3.221 3.212 3.227 . 0 0 "[ . 1 . 2]" 1
1426 1 92 THR HA 1 93 ASP H 2.482 . 3.252 2.110 2.069 2.197 . 0 0 "[ . 1 . 2]" 1
1427 1 92 THR HA 1 97 ALA HA 2.871 . 3.901 2.434 2.015 2.857 . 0 0 "[ . 1 . 2]" 1
1428 1 92 THR HA 1 97 ALA MB 4.042 . 6.084 3.848 3.307 4.362 . 0 0 "[ . 1 . 2]" 1
1429 1 92 THR HA 1 98 ALA H 3.711 . 5.432 3.278 3.070 3.471 . 0 0 "[ . 1 . 2]" 1
1430 1 92 THR HB 1 92 THR MG 2.023 . 2.535 2.130 2.127 2.133 . 0 0 "[ . 1 . 2]" 1
1431 1 92 THR HB 1 93 ASP H 4.434 . 6.892 4.241 4.090 4.327 . 0 0 "[ . 1 . 2]" 1
1432 1 92 THR HB 1 97 ALA MB 2.952 . 4.041 3.111 2.495 3.941 . 0 0 "[ . 1 . 2]" 1
1433 1 92 THR HB 1 98 ALA HA 5.021 . 8.173 7.245 6.740 8.136 . 0 0 "[ . 1 . 2]" 1
1434 1 92 THR MG 1 93 ASP H 4.108 . 6.217 4.092 3.872 4.230 . 0 0 "[ . 1 . 2]" 1
1435 1 92 THR MG 1 98 ALA H 4.474 . 6.976 5.423 5.181 5.742 . 0 0 "[ . 1 . 2]" 1
1436 1 93 ASP H 1 93 ASP HA 2.954 . 4.045 2.873 2.820 2.941 . 0 0 "[ . 1 . 2]" 1
1437 1 93 ASP H 1 93 ASP HB3 3.605 . 5.229 2.699 2.258 3.605 . 0 0 "[ . 1 . 2]" 1
1438 1 93 ASP H 1 94 GLU H 3.319 . 4.696 2.602 2.073 4.047 . 0 0 "[ . 1 . 2]" 1
1439 1 93 ASP HA 1 94 GLU H 3.603 . 5.226 3.313 2.148 3.556 . 0 0 "[ . 1 . 2]" 1
1440 1 93 ASP HA 1 95 LYS H 4.871 . 7.837 5.814 4.769 6.348 . 0 0 "[ . 1 . 2]" 1
1441 1 93 ASP HB3 1 94 GLU H 4.762 . 7.597 3.578 2.360 4.454 . 0 0 "[ . 1 . 2]" 1
1442 1 94 GLU H 1 94 GLU HB3 3.103 . 4.306 3.434 2.962 4.119 . 0 0 "[ . 1 . 2]" 1
1443 1 94 GLU H 1 94 GLU HG2 4.117 . 6.235 4.157 2.864 5.257 . 0 0 "[ . 1 . 2]" 1
1444 1 94 GLU H 1 94 GLU HG3 5.250 . 8.695 4.430 3.101 5.297 . 0 0 "[ . 1 . 2]" 1
1445 1 94 GLU H 1 95 LYS H 3.414 . 4.871 2.745 1.921 4.018 0.036 2 0 "[ . 1 . 2]" 1
1446 1 94 GLU HA 1 94 GLU HB3 2.792 . 3.766 2.781 2.364 3.030 . 0 0 "[ . 1 . 2]" 1
1447 1 94 GLU HA 1 94 GLU HG2 2.868 . 3.896 3.208 2.433 3.783 . 0 0 "[ . 1 . 2]" 1
1448 1 94 GLU HA 1 94 GLU HG3 3.683 . 5.379 3.285 2.564 3.808 . 0 0 "[ . 1 . 2]" 1
1449 1 94 GLU HA 1 95 LYS H 4.360 . 6.737 3.562 3.519 3.596 . 0 0 "[ . 1 . 2]" 1
1450 1 94 GLU HB3 1 94 GLU HG3 1.867 . 2.303 2.669 2.389 3.006 0.703 12 8 "[ ***. * +* . - *]" 1
1451 1 94 GLU HB3 1 95 LYS H 2.467 . 3.228 2.476 1.823 3.976 0.748 2 3 "[ + . 1 * . - 2]" 1
1452 1 94 GLU HB3 1 95 LYS HG3 4.601 . 7.248 3.469 2.479 4.435 . 0 0 "[ . 1 . 2]" 1
1453 1 94 GLU HG3 1 95 LYS HD3 5.696 . 9.751 6.356 3.639 8.732 . 0 0 "[ . 1 . 2]" 1
1454 1 95 LYS H 1 95 LYS HA 2.803 . 3.785 2.936 2.914 2.950 . 0 0 "[ . 1 . 2]" 1
1455 1 95 LYS H 1 95 LYS HB3 3.195 . 4.471 3.743 3.286 3.882 . 0 0 "[ . 1 . 2]" 1
1456 1 95 LYS H 1 95 LYS HD3 4.691 . 7.441 5.282 4.688 5.553 . 0 0 "[ . 1 . 2]" 1
1457 1 95 LYS H 1 95 LYS HE2 5.529 . 9.350 5.896 4.812 6.460 . 0 0 "[ . 1 . 2]" 1
1458 1 95 LYS H 1 95 LYS HG3 2.905 . 3.960 3.080 2.607 3.393 . 0 0 "[ . 1 . 2]" 1
1459 1 95 LYS H 1 96 GLN H 2.473 . 3.237 2.064 1.791 2.385 . 0 0 "[ . 1 . 2]" 1
1460 1 95 LYS HA 1 95 LYS HB3 2.476 . 3.242 2.485 2.415 2.540 . 0 0 "[ . 1 . 2]" 1
1461 1 95 LYS HA 1 95 LYS HD3 4.405 . 6.830 4.381 4.229 4.776 . 0 0 "[ . 1 . 2]" 1
1462 1 95 LYS HA 1 95 LYS HG3 2.926 . 3.996 3.149 2.933 3.780 . 0 0 "[ . 1 . 2]" 1
1463 1 95 LYS HB2 1 95 LYS HE2 3.549 . 5.124 4.570 4.188 4.856 . 0 0 "[ . 1 . 2]" 1
1464 1 95 LYS HB2 1 95 LYS HG3 2.294 . 2.952 2.436 2.385 2.519 . 0 0 "[ . 1 . 2]" 1
1465 1 95 LYS HB3 1 95 LYS HD3 2.551 . 3.365 2.503 2.419 2.585 . 0 0 "[ . 1 . 2]" 1
1466 1 95 LYS HB3 1 95 LYS HE2 4.907 . 7.917 4.480 4.254 4.858 . 0 0 "[ . 1 . 2]" 1
1467 1 95 LYS HB3 1 95 LYS HG3 2.778 . 3.743 3.008 3.003 3.012 . 0 0 "[ . 1 . 2]" 1
1468 1 95 LYS HD3 1 95 LYS HE2 1.897 . 2.347 2.580 2.360 3.014 0.667 6 5 "[* * .+ 1 .* - 2]" 1
1469 1 95 LYS HD3 1 95 LYS HE3 2.475 . 3.241 2.764 2.415 3.015 . 0 0 "[ . 1 . 2]" 1
1470 1 95 LYS HE2 1 95 LYS HG3 2.196 . 2.799 3.037 2.464 3.758 0.959 20 4 "[ * -* 1 . +]" 1
1471 1 95 LYS HE3 1 95 LYS HG3 3.036 . 4.188 2.888 2.442 3.700 . 0 0 "[ . 1 . 2]" 1
1472 1 95 LYS HG3 1 96 GLN H 4.671 . 7.398 4.467 4.077 4.888 . 0 0 "[ . 1 . 2]" 1
1473 1 96 GLN H 1 96 GLN HA 2.808 . 3.794 2.906 2.827 2.944 . 0 0 "[ . 1 . 2]" 1
1474 1 96 GLN H 1 96 GLN HB2 3.299 . 4.659 2.625 2.357 3.291 . 0 0 "[ . 1 . 2]" 1
1475 1 96 GLN H 1 96 GLN HB3 2.477 . 3.244 3.347 2.460 3.805 0.561 11 3 "[* . - 1+ . 2]" 1
1476 1 96 GLN H 1 96 GLN HG3 3.861 . 5.724 4.127 3.620 4.488 . 0 0 "[ . 1 . 2]" 1
1477 1 96 GLN HA 1 96 GLN HE21 2.873 . 3.905 3.154 2.320 4.272 0.367 4 0 "[ . 1 . 2]" 1
1478 1 96 GLN HA 1 96 GLN HE22 3.707 . 5.425 3.719 3.202 5.053 . 0 0 "[ . 1 . 2]" 1
1479 1 96 GLN HA 1 96 GLN HG3 4.464 . 6.955 3.375 2.437 3.789 . 0 0 "[ . 1 . 2]" 1
1480 1 96 GLN HB2 1 96 GLN HE21 4.482 . 6.993 4.198 3.894 4.521 . 0 0 "[ . 1 . 2]" 1
1481 1 96 GLN HB2 1 96 GLN HE22 4.616 . 7.279 4.891 4.349 5.337 . 0 0 "[ . 1 . 2]" 1
1482 1 96 GLN HB2 1 96 GLN HG3 2.252 . 2.886 2.667 2.347 3.011 0.125 5 0 "[ . 1 . 2]" 1
1483 1 96 GLN HB3 1 96 GLN HE21 4.752 . 7.575 4.092 2.879 4.562 . 0 0 "[ . 1 . 2]" 1
1484 1 96 GLN HB3 1 96 GLN HE22 5.073 . 8.290 4.760 3.907 5.354 . 0 0 "[ . 1 . 2]" 1
1485 1 96 GLN HB3 1 96 GLN HG3 2.219 . 2.834 2.460 2.415 2.515 . 0 0 "[ . 1 . 2]" 1
1486 1 96 GLN HE21 1 96 GLN HG3 3.371 . 4.791 2.796 2.202 3.480 . 0 0 "[ . 1 . 2]" 1
1487 1 97 ALA H 1 97 ALA MB 2.847 . 3.860 2.339 2.250 2.492 . 0 0 "[ . 1 . 2]" 1
1488 1 97 ALA HA 1 97 ALA MB 2.263 . 2.903 2.129 2.127 2.134 . 0 0 "[ . 1 . 2]" 1
1489 1 97 ALA HA 1 98 ALA H 2.859 . 3.881 2.161 2.131 2.201 . 0 0 "[ . 1 . 2]" 1
1490 1 97 ALA MB 1 98 ALA H 2.522 . 3.317 3.082 2.891 3.356 0.039 6 0 "[ . 1 . 2]" 1
1491 1 97 ALA MB 1 98 ALA HA 2.742 . 6.000 4.044 3.983 4.125 . 0 0 "[ . 1 . 2]" 1
1492 1 98 ALA H 1 98 ALA HA 2.671 . 3.563 2.924 2.901 2.941 . 0 0 "[ . 1 . 2]" 1
1493 1 98 ALA H 1 98 ALA MB 2.239 . 2.866 2.607 2.526 2.702 . 0 0 "[ . 1 . 2]" 1
1494 1 98 ALA H 1 99 TRP HA 4.257 . 6.522 4.808 4.724 4.885 . 0 0 "[ . 1 . 2]" 1
1495 1 98 ALA HA 1 98 ALA MB 2.396 . 3.113 2.132 2.130 2.135 . 0 0 "[ . 1 . 2]" 1
1496 1 99 TRP H 1 99 TRP HB2 3.315 . 4.689 2.416 2.280 2.510 . 0 0 "[ . 1 . 2]" 1
1497 1 99 TRP H 1 99 TRP HB3 4.182 . 6.368 3.600 3.554 3.621 . 0 0 "[ . 1 . 2]" 1
1498 1 99 TRP HB2 1 99 TRP HD1 3.653 . 5.321 2.746 2.614 3.804 . 0 0 "[ . 1 . 2]" 1
1499 1 99 TRP HD1 2 44 ILE MD 5.000 . 5.000 4.362 3.406 7.038 2.038 6 1 "[ .+ 1 . 2]" 1
1500 1 99 TRP HE1 2 44 ILE MG 5.000 . 5.000 4.398 2.662 9.083 4.083 6 2 "[ .+- 1 . 2]" 1
1501 1 100 ARG H 1 100 ARG HA 2.509 . 3.296 2.943 2.931 2.956 . 0 0 "[ . 1 . 2]" 1
1502 1 100 ARG H 1 100 ARG HB2 2.545 . 3.354 2.583 2.472 2.708 . 0 0 "[ . 1 . 2]" 1
1503 1 100 ARG H 1 100 ARG HB3 3.516 . 5.062 3.731 3.664 3.810 . 0 0 "[ . 1 . 2]" 1
1504 1 100 ARG H 1 100 ARG HD2 5.046 . 8.229 4.804 4.091 5.396 . 0 0 "[ . 1 . 2]" 1
1505 1 100 ARG H 1 100 ARG HD3 3.551 . 5.127 4.254 3.818 5.194 0.067 15 0 "[ . 1 . 2]" 1
1506 1 100 ARG H 1 100 ARG HG2 2.360 . 3.056 2.891 2.494 3.967 0.911 6 1 "[ .+ 1 . 2]" 1
1507 1 100 ARG H 1 100 ARG HG3 3.734 . 5.477 4.038 3.074 4.318 . 0 0 "[ . 1 . 2]" 1
1508 1 100 ARG HA 1 100 ARG HD2 4.330 . 6.674 2.906 2.081 4.808 . 0 0 "[ . 1 . 2]" 1
1509 1 100 ARG HA 1 100 ARG HD3 3.040 . 4.195 2.629 1.933 4.662 0.467 6 0 "[ . 1 . 2]" 1
1510 1 100 ARG HA 1 100 ARG HG2 4.001 . 6.002 3.063 2.503 3.190 . 0 0 "[ . 1 . 2]" 1
1511 1 100 ARG HA 1 100 ARG HG3 4.814 . 7.710 3.765 3.197 3.860 . 0 0 "[ . 1 . 2]" 1
1512 1 100 ARG HB2 1 100 ARG HD2 4.333 . 6.680 3.693 3.610 3.782 . 0 0 "[ . 1 . 2]" 1
1513 1 100 ARG HB2 1 100 ARG HD3 3.801 . 5.607 3.795 2.537 4.231 . 0 0 "[ . 1 . 2]" 1
1514 1 100 ARG HB2 1 100 ARG HG2 2.481 . 3.250 2.490 2.425 3.002 . 0 0 "[ . 1 . 2]" 1
1515 1 100 ARG HB2 1 100 ARG HG3 2.114 . 2.673 2.391 2.349 2.440 . 0 0 "[ . 1 . 2]" 1
1516 1 100 ARG HB3 1 100 ARG HD2 2.380 . 3.088 2.639 2.363 3.660 0.572 6 1 "[ .+ 1 . 2]" 1
1517 1 100 ARG HB3 1 100 ARG HD3 3.358 . 4.768 3.213 2.911 3.685 . 0 0 "[ . 1 . 2]" 1
1518 1 100 ARG HB3 1 100 ARG HG3 2.200 . 2.805 2.481 2.415 3.006 0.201 6 0 "[ . 1 . 2]" 1
1519 1 100 ARG HD2 1 100 ARG HG2 2.973 . 4.078 2.869 2.385 3.017 . 0 0 "[ . 1 . 2]" 1
1520 1 100 ARG HD2 1 100 ARG HG3 2.554 . 3.369 2.584 2.417 3.019 . 0 0 "[ . 1 . 2]" 1
1521 1 100 ARG HD3 1 100 ARG HG2 2.427 . 3.163 2.452 2.353 3.012 . 0 0 "[ . 1 . 2]" 1
1522 1 100 ARG HD3 1 100 ARG HG3 2.957 . 4.050 2.868 2.383 3.016 . 0 0 "[ . 1 . 2]" 1
1523 1 101 PHE H 1 101 PHE HB3 3.031 . 4.179 3.686 3.546 3.800 . 0 0 "[ . 1 . 2]" 1
1524 1 101 PHE HA 1 101 PHE HD1 4.396 . 6.811 3.583 2.572 4.435 . 0 0 "[ . 1 . 2]" 1
1525 1 101 PHE HA 1 102 ILE H 2.867 . 3.895 2.158 2.120 2.192 . 0 0 "[ . 1 . 2]" 1
1526 1 101 PHE HA 1 102 ILE MG 3.549 . 5.124 3.850 3.732 3.944 . 0 0 "[ . 1 . 2]" 1
1527 1 101 PHE HB3 1 102 ILE H 4.179 . 6.362 3.663 3.499 3.792 . 0 0 "[ . 1 . 2]" 1
1528 1 102 ILE H 1 102 ILE HB 3.605 . 5.229 3.742 3.720 3.773 . 0 0 "[ . 1 . 2]" 1
1529 1 102 ILE H 1 102 ILE MD 3.923 . 5.847 3.795 3.727 3.872 . 0 0 "[ . 1 . 2]" 1
1530 1 102 ILE H 1 102 ILE HG12 2.410 . 3.136 2.146 2.043 2.265 . 0 0 "[ . 1 . 2]" 1
1531 1 102 ILE H 1 102 ILE HG13 2.995 . 4.116 2.792 2.749 2.845 . 0 0 "[ . 1 . 2]" 1
1532 1 102 ILE H 1 102 ILE MG 2.852 . 3.869 2.849 2.791 2.922 . 0 0 "[ . 1 . 2]" 1
1533 1 102 ILE HA 1 102 ILE MD 4.503 . 7.038 4.189 4.177 4.198 . 0 0 "[ . 1 . 2]" 1
1534 1 102 ILE HA 1 102 ILE HG12 3.915 . 5.831 3.742 3.694 3.778 . 0 0 "[ . 1 . 2]" 1
1535 1 102 ILE HA 1 102 ILE HG13 4.001 . 6.002 3.705 3.675 3.737 . 0 0 "[ . 1 . 2]" 1
1536 1 102 ILE HA 1 102 ILE MG 2.698 . 3.608 2.308 2.283 2.330 . 0 0 "[ . 1 . 2]" 1
1537 1 102 ILE HA 1 103 ARG H 2.808 . 3.793 2.220 2.173 2.280 . 0 0 "[ . 1 . 2]" 1
1538 1 102 ILE HB 1 102 ILE MD 2.423 . 3.157 2.388 2.353 2.419 . 0 0 "[ . 1 . 2]" 1
1539 1 102 ILE HB 1 102 ILE HG13 2.487 . 3.260 2.502 2.472 2.525 . 0 0 "[ . 1 . 2]" 1
1540 1 102 ILE HB 1 102 ILE MG 2.142 . 2.715 2.124 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
1541 1 102 ILE HB 1 103 ARG H 2.723 . 3.650 2.769 2.629 2.841 . 0 0 "[ . 1 . 2]" 1
1542 1 102 ILE MD 1 102 ILE HG12 1.792 . 2.193 2.116 2.114 2.118 . 0 0 "[ . 1 . 2]" 1
1543 1 102 ILE MD 1 102 ILE HG13 1.895 . 2.344 2.119 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
1544 1 102 ILE MD 1 102 ILE MG 1.902 . 2.354 1.978 1.914 2.027 . 0 0 "[ . 1 . 2]" 1
1545 1 102 ILE MD 1 103 ARG H 4.066 . 6.133 4.594 4.467 4.694 . 0 0 "[ . 1 . 2]" 1
1546 1 102 ILE MD 1 104 ILE MD 2.455 . 6.000 4.600 3.500 5.059 . 0 0 "[ . 1 . 2]" 1
1547 1 102 ILE HG12 1 102 ILE MG 2.062 . 2.594 2.358 2.323 2.394 . 0 0 "[ . 1 . 2]" 1
1548 1 102 ILE HG13 1 102 ILE MG 2.616 . 3.472 3.201 3.196 3.204 . 0 0 "[ . 1 . 2]" 1
1549 1 102 ILE MG 1 103 ARG H 3.232 . 4.538 3.668 3.596 3.706 . 0 0 "[ . 1 . 2]" 1
1550 1 103 ARG H 1 103 ARG HB3 2.705 . 3.620 2.747 2.693 2.815 . 0 0 "[ . 1 . 2]" 1
1551 1 103 ARG H 1 103 ARG HD3 4.964 . 8.045 4.377 4.075 4.671 . 0 0 "[ . 1 . 2]" 1
1552 1 103 ARG H 1 103 ARG HG2 2.252 . 2.886 2.245 2.026 3.341 0.455 9 0 "[ . 1 . 2]" 1
1553 1 103 ARG H 1 103 ARG HG3 3.583 . 5.188 2.959 1.877 3.477 0.101 20 0 "[ . 1 . 2]" 1
1554 1 103 ARG H 1 104 ILE QG 3.523 . 6.000 5.727 5.519 6.317 0.317 19 0 "[ . 1 . 2]" 1
1555 1 103 ARG HA 1 103 ARG HD2 5.069 . 8.281 4.830 3.900 5.545 . 0 0 "[ . 1 . 2]" 1
1556 1 103 ARG HB2 1 103 ARG HD2 2.839 . 3.846 2.747 2.388 3.731 . 0 0 "[ . 1 . 2]" 1
1557 1 103 ARG HB2 1 103 ARG HD3 3.474 . 4.983 3.011 2.398 3.655 . 0 0 "[ . 1 . 2]" 1
1558 1 103 ARG HB2 1 103 ARG HG2 2.913 . 3.974 2.958 2.584 3.011 . 0 0 "[ . 1 . 2]" 1
1559 1 103 ARG HB2 1 103 ARG HG3 1.958 . 2.437 2.527 2.340 2.988 0.551 20 2 "[ . -1 . +]" 1
1560 1 103 ARG HB3 1 103 ARG HD2 2.901 . 3.953 3.176 2.548 3.766 . 0 0 "[ . 1 . 2]" 1
1561 1 103 ARG HB3 1 103 ARG HD3 3.141 . 4.374 2.965 2.546 3.869 . 0 0 "[ . 1 . 2]" 1
1562 1 103 ARG HB3 1 103 ARG HG2 2.208 . 2.818 2.403 2.255 2.550 . 0 0 "[ . 1 . 2]" 1
1563 1 103 ARG HB3 1 103 ARG HG3 2.607 . 3.457 2.961 2.600 3.012 . 0 0 "[ . 1 . 2]" 1
1564 1 103 ARG HD3 1 103 ARG HG2 2.585 . 3.420 2.527 2.353 3.017 . 0 0 "[ . 1 . 2]" 1
1565 1 103 ARG HD3 1 103 ARG HG3 2.985 . 4.099 2.817 2.476 3.021 . 0 0 "[ . 1 . 2]" 1
1566 1 103 ARG HG3 1 104 ILE H 3.959 . 5.918 4.462 4.170 5.003 . 0 0 "[ . 1 . 2]" 1
1567 1 104 ILE H 1 104 ILE HA 2.586 . 3.422 2.944 2.938 2.953 . 0 0 "[ . 1 . 2]" 1
1568 1 104 ILE H 1 104 ILE HB 3.315 . 4.688 3.806 3.766 3.838 . 0 0 "[ . 1 . 2]" 1
1569 1 104 ILE H 1 104 ILE MD 3.941 . 5.883 3.799 1.841 3.955 0.158 19 0 "[ . 1 . 2]" 1
1570 1 104 ILE H 1 104 ILE QG 2.764 . 2.912 2.228 2.142 2.649 . 0 0 "[ . 1 . 2]" 1
1571 1 104 ILE H 1 104 ILE MG 2.839 . 3.847 2.927 2.760 3.143 . 0 0 "[ . 1 . 2]" 1
1572 1 104 ILE HA 1 104 ILE MD 3.967 . 5.934 4.157 3.562 4.197 . 0 0 "[ . 1 . 2]" 1
1573 1 104 ILE HA 1 104 ILE QG 4.287 . 6.477 3.326 3.312 3.472 . 0 0 "[ . 1 . 2]" 1
1574 1 104 ILE HA 1 104 ILE MG 2.607 . 3.456 2.345 2.294 2.404 . 0 0 "[ . 1 . 2]" 1
1575 1 104 ILE HA 1 105 ASP H 2.556 . 3.373 2.269 2.175 2.364 . 0 0 "[ . 1 . 2]" 1
1576 1 104 ILE HB 1 104 ILE MD 2.582 . 3.416 2.437 2.358 3.215 . 0 0 "[ . 1 . 2]" 1
1577 1 104 ILE HB 1 104 ILE QG 2.668 . 3.242 2.375 2.171 2.413 . 0 0 "[ . 1 . 2]" 1
1578 1 104 ILE HB 1 104 ILE MG 2.090 . 2.636 2.125 2.118 2.128 . 0 0 "[ . 1 . 2]" 1
1579 1 104 ILE HB 1 105 ASP H 2.768 . 3.726 2.712 2.363 3.071 . 0 0 "[ . 1 . 2]" 1
1580 1 104 ILE MD 1 104 ILE QG 1.948 . 2.291 1.885 1.884 1.886 . 0 0 "[ . 1 . 2]" 1
1581 1 104 ILE MD 1 104 ILE MG 1.835 . 2.256 1.949 1.895 2.008 . 0 0 "[ . 1 . 2]" 1
1582 1 104 ILE MD 1 105 ASP H 3.739 . 5.487 4.518 4.100 4.814 . 0 0 "[ . 1 . 2]" 1
1583 1 104 ILE QG 1 104 ILE MG 1.825 . 2.241 2.304 2.264 2.427 0.186 19 0 "[ . 1 . 2]" 1
1584 1 104 ILE QG 1 105 ASP H 3.658 . 5.331 3.808 3.521 4.049 . 0 0 "[ . 1 . 2]" 1
1585 1 104 ILE MG 1 105 ASP H 3.643 . 5.302 3.729 3.482 3.860 . 0 0 "[ . 1 . 2]" 1
1586 1 105 ASP H 1 105 ASP QB 2.780 . 3.746 2.439 2.328 2.876 . 0 0 "[ . 1 . 2]" 1
1587 1 105 ASP HA 1 105 ASP QB 4.177 . 4.625 2.380 2.172 2.418 . 0 0 "[ . 1 . 2]" 1
1588 1 106 THR H 1 106 THR HB 3.732 . 5.473 2.952 2.627 3.623 . 0 0 "[ . 1 . 2]" 1
1589 1 106 THR H 1 106 THR MG 2.664 . 3.551 2.911 1.893 3.898 0.347 8 0 "[ . 1 . 2]" 1
1590 1 106 THR H 1 107 ALA H 2.271 . 2.916 2.295 2.063 2.443 . 0 0 "[ . 1 . 2]" 1
1591 1 106 THR HA 1 106 THR MG 2.883 . 3.922 2.640 2.206 3.220 . 0 0 "[ . 1 . 2]" 1
1592 1 106 THR HA 1 107 ALA H 3.340 . 4.734 3.473 3.019 3.573 . 0 0 "[ . 1 . 2]" 1
1593 1 106 THR HB 1 106 THR MG 2.191 . 2.791 2.134 2.128 2.138 . 0 0 "[ . 1 . 2]" 1
1594 1 106 THR MG 2 85 THR HA 5.000 . 5.000 6.539 3.338 9.939 4.939 1 16 "[+***** *******-**2]" 1
1595 1 106 THR MG 2 85 THR MG 5.000 . 5.000 3.800 2.571 6.149 1.149 1 1 "[+ . 1 . 2]" 1
1596 1 107 ALA H 1 107 ALA HA 2.695 . 3.603 2.875 2.793 2.934 . 0 0 "[ . 1 . 2]" 1
1597 1 107 ALA H 1 107 ALA MB 2.098 . 2.648 2.755 2.553 2.915 0.267 19 0 "[ . 1 . 2]" 1
1598 1 107 ALA H 1 108 CYS H 3.779 . 5.565 4.325 4.207 4.382 . 0 0 "[ . 1 . 2]" 1
1599 1 107 ALA HA 1 107 ALA MB 2.070 . 2.606 2.130 2.125 2.136 . 0 0 "[ . 1 . 2]" 1
1600 1 107 ALA HA 1 108 CYS H 2.561 . 3.381 2.334 2.181 2.510 . 0 0 "[ . 1 . 2]" 1
1601 1 107 ALA MB 1 108 CYS H 2.274 . 2.920 2.524 2.233 2.869 . 0 0 "[ . 1 . 2]" 1
1602 1 107 ALA MB 1 109 VAL QG 1.528 . 6.000 2.816 2.390 3.193 . 0 0 "[ . 1 . 2]" 1
1603 1 107 ALA MB 2 109 VAL QG 5.000 . 5.000 3.304 2.676 3.849 . 0 0 "[ . 1 . 2]" 1
1604 1 108 CYS H 1 108 CYS HB2 3.684 . 5.380 2.994 2.744 3.185 . 0 0 "[ . 1 . 2]" 1
1605 1 108 CYS H 1 109 VAL H 4.081 . 6.163 4.229 4.079 4.392 . 0 0 "[ . 1 . 2]" 1
1606 1 108 CYS H 1 109 VAL QG 2.718 . 3.641 3.933 3.652 4.240 0.599 18 7 "[ * ** * 1 * - + 2]" 1
1607 1 108 CYS H 2 109 VAL QG 5.000 . 5.000 4.630 3.472 5.952 0.952 18 2 "[ . 1 . +-2]" 1
1608 1 108 CYS HA 1 109 VAL H 2.340 . 3.024 2.145 2.123 2.176 . 0 0 "[ . 1 . 2]" 1
1609 1 108 CYS HB2 1 109 VAL H 4.687 . 7.433 4.377 4.279 4.502 . 0 0 "[ . 1 . 2]" 1
1610 1 109 VAL H 1 109 VAL HB 3.379 . 4.806 3.745 3.697 3.798 . 0 0 "[ . 1 . 2]" 1
1611 1 109 VAL H 1 109 VAL QG 2.274 . 2.910 2.009 1.950 2.080 . 0 0 "[ . 1 . 2]" 1
1612 1 109 VAL HA 1 109 VAL HB 2.998 . 4.122 2.429 2.402 2.451 . 0 0 "[ . 1 . 2]" 1
1613 1 109 VAL HA 1 109 VAL QG . . 3.490 2.335 2.307 2.370 . 0 0 "[ . 1 . 2]" 1
1614 1 109 VAL HA 1 110 CYS H 2.739 . 3.677 2.287 2.173 2.565 . 0 0 "[ . 1 . 2]" 1
1615 1 109 VAL HA 1 110 CYS HB2 5.431 . 9.117 4.492 4.273 4.675 . 0 0 "[ . 1 . 2]" 1
1616 1 109 VAL HB 1 109 VAL QG 2.076 . 2.615 1.896 1.895 1.898 . 0 0 "[ . 1 . 2]" 1
1617 1 109 VAL HB 1 110 CYS H 3.054 . 4.220 2.705 2.176 2.981 . 0 0 "[ . 1 . 2]" 1
1618 1 109 VAL MG1 1 109 VAL MG2 1.644 . 1.982 2.084 2.081 2.089 0.107 9 0 "[ . 1 . 2]" 1
1619 1 109 VAL QG 1 110 CYS H 3.762 . 5.531 3.252 2.865 3.407 . 0 0 "[ . 1 . 2]" 1
1620 1 109 VAL QG 1 111 VAL H 2.976 . 4.083 3.733 3.447 4.137 0.054 17 0 "[ . 1 . 2]" 1
1621 1 109 VAL QG 1 111 VAL QG 1.433 . 6.000 2.265 1.909 2.793 . 0 0 "[ . 1 . 2]" 1
1622 1 109 VAL QG 2 107 ALA MB 5.000 . 5.000 3.304 2.652 3.847 . 0 0 "[ . 1 . 2]" 1
1623 1 109 VAL QG 2 108 CYS H 5.000 . 5.000 4.629 3.475 5.952 0.952 18 2 "[ . 1 . +-2]" 1
1624 1 110 CYS H 1 110 CYS HB2 3.205 . 4.489 2.807 2.379 3.088 . 0 0 "[ . 1 . 2]" 1
1625 1 110 CYS H 1 110 CYS HB3 3.740 . 5.488 2.695 2.415 3.623 . 0 0 "[ . 1 . 2]" 1
1626 1 110 CYS HA 1 111 VAL H 2.706 . 3.621 2.148 2.101 2.187 . 0 0 "[ . 1 . 2]" 1
1627 1 110 CYS HB2 1 111 VAL H 4.537 . 7.110 4.383 4.269 4.532 . 0 0 "[ . 1 . 2]" 1
1628 1 110 CYS HB3 1 111 VAL H 4.321 . 6.655 4.238 3.608 4.461 . 0 0 "[ . 1 . 2]" 1
1629 1 111 VAL H 1 111 VAL HB 2.928 . 3.999 3.695 3.619 3.779 . 0 0 "[ . 1 . 2]" 1
1630 1 111 VAL H 1 111 VAL QG 2.650 . 3.254 1.958 1.868 2.055 . 0 0 "[ . 1 . 2]" 1
1631 1 111 VAL HA 1 111 VAL QG 3.294 . 3.839 2.342 2.235 2.421 . 0 0 "[ . 1 . 2]" 1
1632 1 111 VAL HA 1 112 LEU H 2.836 . 3.842 2.280 2.187 2.412 . 0 0 "[ . 1 . 2]" 1
1633 1 111 VAL HA 2 13 SER H 5.000 . 5.000 4.905 3.470 6.669 1.669 9 2 "[ . +1 . -]" 1
1634 1 111 VAL HB 1 111 VAL QG 1.860 . 2.192 1.893 1.890 1.895 . 0 0 "[ . 1 . 2]" 1
1635 1 111 VAL MG1 1 111 VAL MG2 1.568 . 6.000 2.082 2.065 2.087 . 0 0 "[ . 1 . 2]" 1
1636 1 111 VAL QG 1 112 LEU H 3.317 . 4.692 3.279 3.062 3.451 . 0 0 "[ . 1 . 2]" 1
1637 1 111 VAL QG 1 112 LEU HA 3.426 . 4.893 3.721 3.264 4.217 . 0 0 "[ . 1 . 2]" 1
1638 1 111 VAL QG 1 112 LEU QD 3.966 . 5.933 4.100 3.785 4.386 . 0 0 "[ . 1 . 2]" 1
1639 1 111 VAL QG 2 12 PHE H 5.000 . 5.000 3.215 2.127 4.534 . 0 0 "[ . 1 . 2]" 1
1640 1 112 LEU H 1 112 LEU HB2 4.033 . 6.066 2.567 2.484 2.696 . 0 0 "[ . 1 . 2]" 1
1641 1 112 LEU H 1 112 LEU QD 3.813 . 5.630 3.394 3.273 3.560 . 0 0 "[ . 1 . 2]" 1
1642 1 112 LEU H 1 112 LEU HG 2.914 . 3.975 2.926 2.603 3.210 . 0 0 "[ . 1 . 2]" 1
1643 1 112 LEU HA 1 112 LEU QD . . 3.191 2.049 1.994 2.177 . 0 0 "[ . 1 . 2]" 1
1644 1 112 LEU HA 1 112 LEU HG 3.709 . 5.429 3.182 3.093 3.292 . 0 0 "[ . 1 . 2]" 1
1645 1 112 LEU HA 1 113 SER H 2.554 . 3.370 2.165 2.129 2.260 . 0 0 "[ . 1 . 2]" 1
1646 1 112 LEU HB2 1 112 LEU QD 2.718 . 3.641 2.304 2.235 2.341 . 0 0 "[ . 1 . 2]" 1
1647 1 112 LEU HB2 1 113 SER HB3 5.668 . 9.683 6.116 5.073 6.863 . 0 0 "[ . 1 . 2]" 1
1648 1 112 LEU HB3 1 112 LEU QD 2.731 . 3.663 2.110 2.094 2.121 . 0 0 "[ . 1 . 2]" 1
1649 1 112 LEU MD1 1 112 LEU MD2 1.836 . 2.257 2.077 2.069 2.083 . 0 0 "[ . 1 . 2]" 1
1650 1 112 LEU QD 1 112 LEU HG 2.112 . 2.354 1.894 1.892 1.897 . 0 0 "[ . 1 . 2]" 1
1651 1 112 LEU QD 1 113 SER H 3.656 . 5.326 3.440 3.309 3.605 . 0 0 "[ . 1 . 2]" 1
1652 1 112 LEU QD 2 12 PHE QD 5.000 . 5.000 4.946 4.020 5.675 0.675 14 2 "[- . 1 +. 2]" 1
1653 1 112 LEU QD 2 14 VAL H 5.000 . 5.000 4.281 3.580 4.956 . 0 0 "[ . 1 . 2]" 1
1654 1 112 LEU QD 2 14 VAL HA 5.000 . 5.000 2.910 2.163 3.689 . 0 0 "[ . 1 . 2]" 1
1655 1 112 LEU QD 2 14 VAL MG2 5.000 . 5.000 4.092 3.750 4.548 . 0 0 "[ . 1 . 2]" 1
1656 1 112 LEU QD 2 69 ARG HA 5.000 . 5.000 4.674 4.066 5.464 0.464 18 0 "[ . 1 . 2]" 1
1657 1 112 LEU QD 2 70 GLY H 5.000 . 5.000 4.400 3.007 5.227 0.227 18 0 "[ . 1 . 2]" 1
1658 1 112 LEU QD 2 70 GLY QA 5.000 . 5.000 2.914 2.311 3.690 . 0 0 "[ . 1 . 2]" 1
1659 1 112 LEU QD 2 71 ILE H 5.000 . 5.000 4.650 4.194 5.349 0.349 17 0 "[ . 1 . 2]" 1
1660 1 112 LEU QD 2 71 ILE MD 5.000 . 5.000 4.363 3.701 4.768 . 0 0 "[ . 1 . 2]" 1
1661 1 112 LEU HG 2 70 GLY QA 5.000 . 5.000 5.528 4.750 6.536 1.536 17 9 "[*** .* -* * . +* 2]" 1
1662 1 113 SER H 1 113 SER HB3 3.309 . 4.677 3.063 2.530 3.785 . 0 0 "[ . 1 . 2]" 1
1663 1 113 SER H 1 115 LYS H 4.185 . 6.375 4.619 4.221 5.387 . 0 0 "[ . 1 . 2]" 1
1664 1 113 SER HA 1 113 SER HB3 2.530 . 3.330 2.745 2.322 3.037 . 0 0 "[ . 1 . 2]" 1
1665 1 113 SER HA 1 114 ARG H 2.313 . 2.982 2.278 2.195 2.535 . 0 0 "[ . 1 . 2]" 1
1666 1 113 SER HA 1 114 ARG HG3 5.935 . 10.338 6.007 3.736 6.807 . 0 0 "[ . 1 . 2]" 1
1667 1 113 SER HA 2 12 PHE QE 5.000 . 5.000 4.763 3.350 6.103 1.103 11 2 "[- . 1+ . 2]" 1
1668 1 113 SER HB3 1 114 ARG H 4.170 . 6.343 3.964 2.647 4.633 . 0 0 "[ . 1 . 2]" 1
1669 1 114 ARG H 1 114 ARG HB3 2.650 . 3.528 2.911 2.444 3.620 0.092 20 0 "[ . 1 . 2]" 1
1670 1 114 ARG H 1 114 ARG HD3 4.828 . 7.742 4.842 4.103 6.049 . 0 0 "[ . 1 . 2]" 1
1671 1 114 ARG H 1 114 ARG HG3 4.920 . 7.946 4.117 1.950 4.723 . 0 0 "[ . 1 . 2]" 1
1672 1 114 ARG HA 1 114 ARG HG3 3.871 . 5.744 3.164 2.441 3.720 . 0 0 "[ . 1 . 2]" 1
1673 1 114 ARG HB3 1 114 ARG HD2 3.511 . 5.051 3.355 2.404 4.234 . 0 0 "[ . 1 . 2]" 1
1674 1 114 ARG HB3 1 114 ARG HD3 3.050 . 4.213 3.424 2.475 4.227 0.014 17 0 "[ . 1 . 2]" 1
1675 1 114 ARG HB3 1 114 ARG HG3 2.699 . 3.609 2.605 2.423 3.015 . 0 0 "[ . 1 . 2]" 1
1676 1 114 ARG HD2 1 114 ARG HG3 2.581 . 3.413 2.574 2.376 3.019 . 0 0 "[ . 1 . 2]" 1
1677 1 115 LYS H 1 115 LYS HA 2.382 . 3.091 2.397 2.256 2.942 . 0 0 "[ . 1 . 2]" 1
1678 1 115 LYS H 1 115 LYS QE 4.838 . 7.763 5.089 3.764 5.543 . 0 0 "[ . 1 . 2]" 1
1679 1 115 LYS HA 1 115 LYS QB 3.552 . 5.129 2.339 2.178 2.400 . 0 0 "[ . 1 . 2]" 1
1680 1 115 LYS HA 1 115 LYS QD 4.652 . 7.357 4.207 3.806 4.484 . 0 0 "[ . 1 . 2]" 1
1681 1 115 LYS HA 1 115 LYS QE 5.139 . 8.440 4.131 3.749 4.520 . 0 0 "[ . 1 . 2]" 1
1682 1 115 LYS HA 1 115 LYS QG 4.471 . 6.970 2.603 2.396 3.381 . 0 0 "[ . 1 . 2]" 1
1683 1 115 LYS QB 1 115 LYS QD 2.995 . 4.116 2.307 2.246 2.375 . 0 0 "[ . 1 . 2]" 1
1684 1 115 LYS QB 1 115 LYS QE . . 2.222 1.961 1.905 2.041 . 0 0 "[ . 1 . 2]" 1
1685 1 115 LYS QB 1 115 LYS QG . . 2.555 2.085 2.069 2.089 . 0 0 "[ . 1 . 2]" 1
1686 1 115 LYS QD 1 115 LYS QE 2.016 . 2.524 2.061 1.997 2.088 . 0 0 "[ . 1 . 2]" 1
1687 1 115 LYS QD 1 115 LYS QG . . 2.422 2.005 1.989 2.015 0.010 7 0 "[ . 1 . 2]" 1
1688 1 115 LYS QE 1 115 LYS QG 3.419 . 3.570 2.463 2.295 2.831 . 0 0 "[ . 1 . 2]" 1
1689 1 116 ALA H 1 116 ALA MB 2.782 . 3.750 2.467 2.242 2.939 . 0 0 "[ . 1 . 2]" 1
1690 1 116 ALA HA 1 116 ALA MB 1.875 . 2.314 2.130 2.121 2.135 . 0 0 "[ . 1 . 2]" 1
1691 1 116 ALA MB 1 117 THR HA 3.195 . 4.471 4.119 3.818 4.548 0.077 16 0 "[ . 1 . 2]" 1
1692 1 117 THR HA 1 117 THR MG 2.587 . 3.423 2.330 2.216 3.214 . 0 0 "[ . 1 . 2]" 1
1693 1 117 THR HA 1 118 ARG H 2.434 . 3.175 2.511 2.236 3.302 0.127 9 0 "[ . 1 . 2]" 1
1694 1 117 THR HB 1 117 THR MG 2.033 . 2.549 2.133 2.126 2.137 . 0 0 "[ . 1 . 2]" 1
1695 1 117 THR HB 1 118 ARG H 2.074 . 2.611 2.631 1.913 4.235 1.624 13 3 "[ . *1 + . -2]" 1
1696 1 117 THR MG 1 118 ARG H 4.123 . 6.248 3.581 3.097 4.347 . 0 0 "[ . 1 . 2]" 1
1697 1 118 ARG H 1 118 ARG HA 2.482 . 3.252 2.843 2.239 2.944 . 0 0 "[ . 1 . 2]" 1
1698 1 118 ARG H 1 118 ARG QB 3.740 . 4.104 2.861 2.260 3.389 . 0 0 "[ . 1 . 2]" 1
1699 1 118 ARG H 1 118 ARG HD3 4.583 . 7.209 4.458 2.225 6.059 . 0 0 "[ . 1 . 2]" 1
1700 1 118 ARG H 1 118 ARG QG 3.581 . 5.184 3.093 1.750 4.475 0.250 7 0 "[ . 1 . 2]" 1
1701 1 118 ARG HA 1 118 ARG QB 3.128 . 4.351 2.318 2.151 2.515 . 0 0 "[ . 1 . 2]" 1
1702 1 118 ARG HA 1 118 ARG HD3 3.959 . 5.918 3.995 2.354 5.373 . 0 0 "[ . 1 . 2]" 1
1703 1 118 ARG HA 1 118 ARG QG 3.611 . 5.241 2.989 2.396 3.513 . 0 0 "[ . 1 . 2]" 1
1704 1 118 ARG QB 1 118 ARG HD2 4.667 . 7.389 2.953 2.253 3.513 . 0 0 "[ . 1 . 2]" 1
1705 1 118 ARG QB 1 118 ARG HD3 4.501 . 5.425 3.105 2.315 3.538 . 0 0 "[ . 1 . 2]" 1
1706 1 118 ARG QB 1 118 ARG QG 2.007 . 2.378 2.005 1.974 2.087 . 0 0 "[ . 1 . 2]" 1
1707 1 118 ARG QB 2 9 MET ME 5.000 . 5.000 4.866 2.479 6.669 1.669 15 5 "[- .** 1 * + 2]" 1
1708 1 118 ARG HD3 1 118 ARG QG 3.335 . 4.725 2.261 2.145 2.450 . 0 0 "[ . 1 . 2]" 1
1709 1 118 ARG QG 2 9 MET ME 5.000 . 5.000 4.457 2.386 6.400 1.400 14 3 "[- .* 1 +. 2]" 1
1710 2 2 SER H 2 3 THR HB 5.774 . 9.941 5.714 4.331 6.777 . 0 0 "[ . 1 . 2]" 1
1711 2 2 SER HA 2 2 SER HB3 2.899 . 3.950 2.506 2.362 3.030 . 0 0 "[ . 1 . 2]" 1
1712 2 3 THR H 2 3 THR HB 4.004 . 6.008 3.547 2.731 4.077 . 0 0 "[ . 1 . 2]" 1
1713 2 3 THR H 2 3 THR MG 3.454 . 4.945 2.821 2.597 3.743 . 0 0 "[ . 1 . 2]" 1
1714 2 3 THR HA 2 3 THR HB 2.156 . 2.737 2.602 2.485 3.017 0.280 19 0 "[ . 1 . 2]" 1
1715 2 3 THR HA 2 3 THR MG 2.295 . 2.953 2.291 2.193 3.217 0.264 10 0 "[ . 1 . 2]" 1
1716 2 3 THR HB 2 3 THR MG 2.028 . 2.542 2.133 2.127 2.135 . 0 0 "[ . 1 . 2]" 1
1717 2 4 HIS HA 2 4 HIS QB 2.883 . 3.922 2.271 2.172 2.472 . 0 0 "[ . 1 . 2]" 1
1718 2 4 HIS HA 2 4 HIS HD2 4.060 . 6.120 4.437 3.266 4.735 . 0 0 "[ . 1 . 2]" 1
1719 2 4 HIS HA 2 4 HIS HE1 5.761 . 9.910 5.847 4.840 6.412 . 0 0 "[ . 1 . 2]" 1
1720 2 4 HIS HA 2 5 PRO HA 5.026 . 8.183 4.557 4.447 4.665 . 0 0 "[ . 1 . 2]" 1
1721 2 4 HIS HA 2 5 PRO QB 5.140 . 8.443 4.681 4.527 4.876 . 0 0 "[ . 1 . 2]" 1
1722 2 4 HIS HA 2 5 PRO HD2 2.546 . 3.357 2.215 1.969 2.549 . 0 0 "[ . 1 . 2]" 1
1723 2 4 HIS HA 2 5 PRO HD3 2.502 . 3.285 2.446 2.068 2.792 . 0 0 "[ . 1 . 2]" 1
1724 2 4 HIS HA 2 5 PRO QG 4.763 . 7.599 3.943 3.817 4.200 . 0 0 "[ . 1 . 2]" 1
1725 2 4 HIS HA 2 6 VAL H 3.892 . 5.785 4.348 3.432 5.764 . 0 0 "[ . 1 . 2]" 1
1726 2 4 HIS QB 2 5 PRO HA 6.656 . 12.194 4.881 4.682 5.067 . 0 0 "[ . 1 . 2]" 1
1727 2 4 HIS QB 2 5 PRO HD2 4.380 . 5.655 3.845 3.215 4.487 . 0 0 "[ . 1 . 2]" 1
1728 2 4 HIS QB 2 5 PRO HD3 5.276 . 8.663 4.227 3.910 4.462 . 0 0 "[ . 1 . 2]" 1
1729 2 4 HIS QB 2 6 VAL HA 4.650 . 7.353 4.749 3.948 5.680 . 0 0 "[ . 1 . 2]" 1
1730 2 4 HIS QB 2 7 PHE H 2.899 . 3.949 4.279 2.706 6.994 3.045 11 7 "[ **. -*1+ . * *]" 1
1731 2 4 HIS HD2 2 6 VAL HB 6.156 . 10.893 6.124 4.869 7.461 . 0 0 "[ . 1 . 2]" 1
1732 2 4 HIS HD2 2 6 VAL QG 4.125 . 6.252 3.981 2.198 5.469 . 0 0 "[ . 1 . 2]" 1
1733 2 5 PRO HA 2 5 PRO HD2 5.032 . 8.197 4.070 3.923 4.102 . 0 0 "[ . 1 . 2]" 1
1734 2 5 PRO HA 2 5 PRO HD3 4.385 . 6.789 3.763 3.544 3.892 . 0 0 "[ . 1 . 2]" 1
1735 2 5 PRO HA 2 6 VAL H 2.300 . 2.961 2.617 2.171 3.339 0.378 9 0 "[ . 1 . 2]" 1
1736 2 5 PRO HA 2 6 VAL HA 5.518 . 9.324 4.694 4.417 5.169 . 0 0 "[ . 1 . 2]" 1
1737 2 5 PRO HA 2 6 VAL HB 3.111 . 4.321 4.624 4.391 4.809 0.488 16 0 "[ . 1 . 2]" 1
1738 2 5 PRO HA 2 6 VAL QG 3.333 . 4.721 3.222 3.021 3.666 . 0 0 "[ . 1 . 2]" 1
1739 2 5 PRO QB 2 5 PRO HD3 3.667 . 5.348 3.040 2.888 3.546 . 0 0 "[ . 1 . 2]" 1
1740 2 5 PRO QB 2 5 PRO QG . . 2.925 1.974 1.963 1.979 . 0 0 "[ . 1 . 2]" 1
1741 2 5 PRO QB 2 6 VAL H 4.456 . 6.382 3.905 3.528 4.004 . 0 0 "[ . 1 . 2]" 1
1742 2 5 PRO QB 2 6 VAL QG 3.281 . 4.627 3.933 3.342 4.669 0.042 3 0 "[ . 1 . 2]" 1
1743 2 5 PRO QB 2 8 HIS QB 5.788 . 9.078 5.584 3.235 8.417 . 0 0 "[ . 1 . 2]" 1
1744 2 5 PRO HD2 2 5 PRO QG . . 3.045 2.187 2.176 2.251 . 0 0 "[ . 1 . 2]" 1
1745 2 5 PRO HD2 2 6 VAL H 3.798 . 5.601 4.269 2.698 5.386 . 0 0 "[ . 1 . 2]" 1
1746 2 5 PRO HD3 2 5 PRO QG 3.588 . 4.165 2.216 2.184 2.248 . 0 0 "[ . 1 . 2]" 1
1747 2 5 PRO QG 2 6 VAL H 3.146 . 4.383 4.389 3.084 4.867 0.484 5 0 "[ . 1 . 2]" 1
1748 2 5 PRO QG 2 7 PHE HB2 5.667 . 9.681 5.448 4.324 6.498 . 0 0 "[ . 1 . 2]" 1
1749 2 5 PRO QG 2 7 PHE HB3 5.354 . 8.937 5.874 4.878 7.227 . 0 0 "[ . 1 . 2]" 1
1750 2 5 PRO QG 2 7 PHE QD 6.562 . 11.945 5.434 2.679 7.130 . 0 0 "[ . 1 . 2]" 1
1751 2 5 PRO QG 2 12 PHE QE 7.697 . 15.103 8.635 5.096 13.889 . 0 0 "[ . 1 . 2]" 1
1752 2 6 VAL H 2 6 VAL HA 2.688 . 3.591 2.333 2.258 2.913 . 0 0 "[ . 1 . 2]" 1
1753 2 6 VAL H 2 6 VAL HB 2.756 . 3.706 3.573 2.631 3.714 0.008 13 0 "[ . 1 . 2]" 1
1754 2 6 VAL H 2 6 VAL QG . . 3.062 2.544 1.941 2.789 . 0 0 "[ . 1 . 2]" 1
1755 2 6 VAL H 2 7 PHE HA 3.927 . 5.855 5.042 4.858 5.635 . 0 0 "[ . 1 . 2]" 1
1756 2 6 VAL HA 2 6 VAL HB 2.745 . 3.687 3.019 3.012 3.025 . 0 0 "[ . 1 . 2]" 1
1757 2 6 VAL HA 2 6 VAL QG 2.362 . 3.060 2.136 2.121 2.146 . 0 0 "[ . 1 . 2]" 1
1758 2 6 VAL HA 2 7 PHE H 2.420 . 3.152 2.819 2.256 3.572 0.420 9 0 "[ . 1 . 2]" 1
1759 2 6 VAL HA 2 7 PHE HB2 4.659 . 7.372 4.826 4.152 5.952 . 0 0 "[ . 1 . 2]" 1
1760 2 6 VAL HA 2 7 PHE HB3 5.131 . 8.422 5.313 4.443 6.631 . 0 0 "[ . 1 . 2]" 1
1761 2 6 VAL HA 2 7 PHE QD 6.318 . 11.308 5.256 3.352 6.640 . 0 0 "[ . 1 . 2]" 1
1762 2 6 VAL HA 2 9 MET HA 4.558 . 7.154 5.581 4.753 7.366 0.212 8 0 "[ . 1 . 2]" 1
1763 2 6 VAL HB 2 6 VAL QG 1.759 . 2.113 1.895 1.892 1.897 . 0 0 "[ . 1 . 2]" 1
1764 2 6 VAL HB 2 7 PHE H 3.613 . 5.245 4.008 2.348 4.445 . 0 0 "[ . 1 . 2]" 1
1765 2 6 VAL HB 2 7 PHE HB2 4.567 . 7.174 5.507 4.508 6.594 . 0 0 "[ . 1 . 2]" 1
1766 2 6 VAL HB 2 7 PHE QD 4.756 . 7.583 5.724 3.287 7.129 . 0 0 "[ . 1 . 2]" 1
1767 2 6 VAL HB 2 9 MET ME 2.165 . 6.000 4.337 2.147 6.323 0.323 9 0 "[ . 1 . 2]" 1
1768 2 6 VAL QG 2 7 PHE H 4.045 . 6.090 3.627 2.995 3.769 . 0 0 "[ . 1 . 2]" 1
1769 2 6 VAL QG 2 7 PHE HB3 4.900 . 7.901 4.812 3.767 5.778 . 0 0 "[ . 1 . 2]" 1
1770 2 6 VAL QG 2 7 PHE QD 3.660 . 5.335 4.549 2.822 5.557 0.222 3 0 "[ . 1 . 2]" 1
1771 2 6 VAL QG 2 8 HIS HA 4.769 . 7.612 5.243 4.125 6.114 . 0 0 "[ . 1 . 2]" 1
1772 2 6 VAL QG 2 9 MET H 3.333 . 4.721 3.442 2.372 4.540 . 0 0 "[ . 1 . 2]" 1
1773 2 6 VAL QG 2 9 MET ME 3.008 . 4.139 3.368 2.064 5.323 1.184 2 2 "[-+ . 1 . 2]" 1
1774 2 6 VAL QG 2 9 MET HG3 3.680 . 5.373 4.384 2.034 5.452 0.079 2 0 "[ . 1 . 2]" 1
1775 2 6 VAL QG 2 10 GLY HA3 4.453 . 6.931 5.164 2.628 7.235 0.304 7 0 "[ . 1 . 2]" 1
1776 2 6 VAL QG 2 12 PHE QE 3.818 . 5.640 4.274 2.151 8.277 2.637 5 4 "[ - + *1* . 2]" 1
1777 2 7 PHE H 2 7 PHE HA 2.474 . 3.239 2.501 2.258 2.938 . 0 0 "[ . 1 . 2]" 1
1778 2 7 PHE H 2 7 PHE HB2 3.274 . 4.614 3.001 2.368 4.004 . 0 0 "[ . 1 . 2]" 1
1779 2 7 PHE H 2 7 PHE HB3 3.300 . 4.662 3.465 2.541 4.107 . 0 0 "[ . 1 . 2]" 1
1780 2 7 PHE H 2 7 PHE QD 4.263 . 6.535 3.785 2.525 4.437 . 0 0 "[ . 1 . 2]" 1
1781 2 7 PHE HA 2 7 PHE QD 3.542 . 5.110 2.680 2.066 3.729 . 0 0 "[ . 1 . 2]" 1
1782 2 7 PHE HA 2 8 HIS H 2.812 . 3.800 3.084 2.500 3.574 . 0 0 "[ . 1 . 2]" 1
1783 2 7 PHE HB2 2 9 MET ME 4.969 . 8.055 5.499 4.040 6.332 . 0 0 "[ . 1 . 2]" 1
1784 2 7 PHE HB3 2 10 GLY HA2 5.609 . 9.541 6.507 2.597 9.362 . 0 0 "[ . 1 . 2]" 1
1785 2 7 PHE QD 2 9 MET ME 5.448 . 9.159 7.479 4.678 9.053 . 0 0 "[ . 1 . 2]" 1
1786 2 7 PHE QD 2 11 GLU HG2 4.921 . 7.948 4.241 2.175 6.407 . 0 0 "[ . 1 . 2]" 1
1787 2 7 PHE QD 2 12 PHE H 4.563 . 7.166 6.512 4.829 8.598 1.432 9 4 "[ * * +- . 2]" 1
1788 2 8 HIS H 2 8 HIS HA 2.764 . 3.719 2.628 2.257 2.919 . 0 0 "[ . 1 . 2]" 1
1789 2 8 HIS HA 2 8 HIS QB 3.381 . 4.005 2.399 2.182 2.453 . 0 0 "[ . 1 . 2]" 1
1790 2 8 HIS HA 2 8 HIS HD2 3.971 . 5.942 3.961 2.548 4.518 . 0 0 "[ . 1 . 2]" 1
1791 2 8 HIS QB 2 8 HIS HD2 3.130 . 4.355 2.790 2.653 3.127 . 0 0 "[ . 1 . 2]" 1
1792 2 8 HIS QB 2 9 MET H 5.396 . 9.036 3.623 2.600 4.012 . 0 0 "[ . 1 . 2]" 1
1793 2 8 HIS QB 2 9 MET HB3 5.391 . 9.024 5.566 3.993 6.334 . 0 0 "[ . 1 . 2]" 1
1794 2 8 HIS QB 2 11 GLU HB3 5.616 . 9.559 5.974 3.491 9.810 0.251 8 0 "[ . 1 . 2]" 1
1795 2 8 HIS HD2 2 9 MET ME 5.608 . 9.539 6.291 4.681 9.247 . 0 0 "[ . 1 . 2]" 1
1796 2 8 HIS HD2 2 9 MET HG3 4.596 . 7.237 5.460 3.354 7.740 0.503 19 1 "[ . 1 . +2]" 1
1797 2 9 MET H 2 9 MET ME 5.407 . 9.061 4.411 3.478 5.255 . 0 0 "[ . 1 . 2]" 1
1798 2 9 MET HA 2 9 MET HB2 2.960 . 4.055 2.717 2.406 3.030 . 0 0 "[ . 1 . 2]" 1
1799 2 9 MET HA 2 9 MET HB3 2.887 . 3.929 2.518 2.338 3.041 . 0 0 "[ . 1 . 2]" 1
1800 2 9 MET HA 2 9 MET ME 4.002 . 6.004 4.045 3.009 4.450 . 0 0 "[ . 1 . 2]" 1
1801 2 9 MET HA 2 9 MET HG2 3.695 . 5.402 3.172 2.449 3.830 . 0 0 "[ . 1 . 2]" 1
1802 2 9 MET HA 2 9 MET HG3 3.372 . 4.794 3.375 2.748 3.873 . 0 0 "[ . 1 . 2]" 1
1803 2 9 MET HB2 2 9 MET ME 1.609 . 6.000 2.629 1.989 3.044 . 0 0 "[ . 1 . 2]" 1
1804 2 9 MET HB2 2 9 MET HG2 2.710 . 3.628 2.978 2.449 3.012 . 0 0 "[ . 1 . 2]" 1
1805 2 9 MET HB3 2 9 MET HG3 2.610 . 3.461 2.980 2.453 3.012 . 0 0 "[ . 1 . 2]" 1
1806 2 9 MET ME 2 9 MET HG2 3.581 . 5.184 2.747 2.479 3.405 . 0 0 "[ . 1 . 2]" 1
1807 2 9 MET ME 2 9 MET HG3 2.549 . 3.361 3.182 2.468 3.405 0.044 12 0 "[ . 1 . 2]" 1
1808 2 9 MET ME 2 12 PHE HD1 5.319 . 8.856 6.404 4.580 9.182 0.326 1 0 "[ . 1 . 2]" 1
1809 2 10 GLY HA2 2 11 GLU H 3.105 . 4.310 3.002 2.151 3.529 . 0 0 "[ . 1 . 2]" 1
1810 2 10 GLY HA2 2 12 PHE HA 5.145 . 8.453 6.098 5.497 6.586 . 0 0 "[ . 1 . 2]" 1
1811 2 10 GLY HA2 2 12 PHE QE 6.880 . 12.797 5.187 2.626 7.292 . 0 0 "[ . 1 . 2]" 1
1812 2 10 GLY HA3 2 11 GLU H 2.816 . 3.807 2.978 2.176 3.535 . 0 0 "[ . 1 . 2]" 1
1813 2 10 GLY HA3 2 11 GLU HA 4.980 . 8.079 4.485 4.338 4.681 . 0 0 "[ . 1 . 2]" 1
1814 2 10 GLY HA3 2 11 GLU HG2 6.011 . 10.527 5.249 3.509 6.929 . 0 0 "[ . 1 . 2]" 1
1815 2 11 GLU H 2 11 GLU HA 2.837 . 3.843 2.783 2.261 2.941 . 0 0 "[ . 1 . 2]" 1
1816 2 11 GLU H 2 11 GLU HB2 3.955 . 5.910 3.195 2.401 3.720 . 0 0 "[ . 1 . 2]" 1
1817 2 11 GLU H 2 11 GLU HB3 2.661 . 3.546 3.361 2.739 4.089 0.543 20 3 "[ - 1 . * +]" 1
1818 2 11 GLU H 2 11 GLU HG2 4.191 . 6.387 3.060 1.711 5.308 0.284 19 0 "[ . 1 . 2]" 1
1819 2 11 GLU H 2 11 GLU HG3 2.974 . 4.080 3.445 2.171 4.885 0.805 1 1 "[+ . 1 . 2]" 1
1820 2 11 GLU H 2 12 PHE H 3.212 . 4.501 2.953 2.364 3.843 . 0 0 "[ . 1 . 2]" 1
1821 2 11 GLU HA 2 11 GLU HG2 4.292 . 6.595 3.301 2.425 4.220 . 0 0 "[ . 1 . 2]" 1
1822 2 11 GLU HA 2 11 GLU HG3 4.304 . 6.620 3.628 2.808 4.270 . 0 0 "[ . 1 . 2]" 1
1823 2 11 GLU HB2 2 12 PHE H 4.973 . 8.065 4.159 3.485 4.650 . 0 0 "[ . 1 . 2]" 1
1824 2 11 GLU HB3 2 11 GLU HG2 2.593 . 3.433 2.686 2.399 3.020 . 0 0 "[ . 1 . 2]" 1
1825 2 11 GLU HB3 2 11 GLU HG3 2.652 . 3.531 2.721 2.428 3.016 . 0 0 "[ . 1 . 2]" 1
1826 2 11 GLU HG3 2 12 PHE H 4.315 . 6.643 5.006 3.735 5.950 . 0 0 "[ . 1 . 2]" 1
1827 2 12 PHE H 2 12 PHE HA 2.858 . 3.879 2.845 2.257 2.946 . 0 0 "[ . 1 . 2]" 1
1828 2 12 PHE H 2 12 PHE HB2 4.168 . 6.340 2.482 2.311 3.491 . 0 0 "[ . 1 . 2]" 1
1829 2 12 PHE H 2 12 PHE HB3 3.039 . 4.193 3.641 3.562 4.100 . 0 0 "[ . 1 . 2]" 1
1830 2 12 PHE H 2 12 PHE HD1 4.130 . 6.262 2.872 2.221 3.516 . 0 0 "[ . 1 . 2]" 1
1831 2 12 PHE H 2 12 PHE QE 4.307 . 6.625 4.717 4.202 5.423 . 0 0 "[ . 1 . 2]" 1
1832 2 12 PHE HA 2 12 PHE HD1 3.945 . 5.891 4.052 2.963 4.479 . 0 0 "[ . 1 . 2]" 1
1833 2 12 PHE HA 2 12 PHE QE 4.258 . 6.525 4.508 4.331 4.664 . 0 0 "[ . 1 . 2]" 1
1834 2 12 PHE HA 2 12 PHE HZ 4.517 . 7.067 5.896 5.760 6.016 . 0 0 "[ . 1 . 2]" 1
1835 2 12 PHE HB2 2 12 PHE QE 4.584 . 7.211 4.396 4.366 4.487 . 0 0 "[ . 1 . 2]" 1
1836 2 12 PHE HB2 2 13 SER H 3.341 . 4.736 4.230 3.604 4.542 . 0 0 "[ . 1 . 2]" 1
1837 2 12 PHE HB3 2 13 SER H 4.021 . 6.042 3.407 2.271 4.246 . 0 0 "[ . 1 . 2]" 1
1838 2 12 PHE HD1 2 13 SER H 5.002 . 8.130 5.822 5.024 6.283 . 0 0 "[ . 1 . 2]" 1
1839 2 13 SER H 2 13 SER HA 2.712 . 3.632 2.875 2.779 2.942 . 0 0 "[ . 1 . 2]" 1
1840 2 13 SER H 2 13 SER HB2 3.587 . 5.195 2.975 2.494 3.576 . 0 0 "[ . 1 . 2]" 1
1841 2 13 SER H 2 13 SER HB3 3.112 . 4.323 3.127 2.474 3.863 . 0 0 "[ . 1 . 2]" 1
1842 2 13 SER H 2 14 VAL H 4.003 . 6.006 4.429 4.184 4.609 . 0 0 "[ . 1 . 2]" 1
1843 2 13 SER HA 2 13 SER HB3 2.960 . 4.055 2.696 2.373 3.037 . 0 0 "[ . 1 . 2]" 1
1844 2 13 SER HA 2 14 VAL H 2.852 . 3.869 2.234 2.137 2.536 . 0 0 "[ . 1 . 2]" 1
1845 2 13 SER HA 2 14 VAL MG2 4.454 . 6.934 3.809 3.606 4.192 . 0 0 "[ . 1 . 2]" 1
1846 2 13 SER HA 2 15 CYS H 3.693 . 5.397 3.782 3.490 4.228 . 0 0 "[ . 1 . 2]" 1
1847 2 13 SER HB2 2 14 VAL H 4.279 . 6.568 3.922 2.970 4.306 . 0 0 "[ . 1 . 2]" 1
1848 2 13 SER HB2 2 15 CYS H 3.434 . 4.908 3.739 2.552 4.491 . 0 0 "[ . 1 . 2]" 1
1849 2 13 SER HB3 2 14 VAL H 4.692 . 7.443 3.656 2.954 4.209 . 0 0 "[ . 1 . 2]" 1
1850 2 13 SER HB3 2 15 CYS H 4.345 . 6.705 3.199 2.633 4.356 . 0 0 "[ . 1 . 2]" 1
1851 2 14 VAL H 2 14 VAL HB 3.425 . 4.891 3.627 3.608 3.653 . 0 0 "[ . 1 . 2]" 1
1852 2 14 VAL H 2 14 VAL MG1 2.471 . 3.234 2.265 2.157 2.627 . 0 0 "[ . 1 . 2]" 1
1853 2 14 VAL H 2 14 VAL MG2 2.471 . 3.234 1.994 1.899 2.098 . 0 0 "[ . 1 . 2]" 1
1854 2 14 VAL H 2 15 CYS H 2.649 . 3.526 2.576 2.427 2.729 . 0 0 "[ . 1 . 2]" 1
1855 2 14 VAL HA 2 14 VAL MG1 2.351 . 3.042 2.329 2.291 2.363 . 0 0 "[ . 1 . 2]" 1
1856 2 14 VAL HA 2 14 VAL MG2 3.293 . 4.649 3.215 3.208 3.222 . 0 0 "[ . 1 . 2]" 1
1857 2 14 VAL HA 2 15 CYS H 3.538 . 5.102 3.412 3.186 3.518 . 0 0 "[ . 1 . 2]" 1
1858 2 14 VAL HA 2 69 ARG H 4.805 . 7.691 4.181 3.123 5.819 . 0 0 "[ . 1 . 2]" 1
1859 2 14 VAL HB 2 14 VAL MG1 2.208 . 2.817 2.127 2.122 2.130 . 0 0 "[ . 1 . 2]" 1
1860 2 14 VAL HB 2 14 VAL MG2 2.186 . 2.783 2.130 2.128 2.131 . 0 0 "[ . 1 . 2]" 1
1861 2 14 VAL HB 2 15 CYS H 3.501 . 5.033 3.957 3.686 4.273 . 0 0 "[ . 1 . 2]" 1
1862 2 14 VAL HB 2 15 CYS HA 4.464 . 6.955 4.796 4.511 4.917 . 0 0 "[ . 1 . 2]" 1
1863 2 14 VAL HB 2 68 CYS HB2 4.773 . 7.621 3.426 2.212 5.301 . 0 0 "[ . 1 . 2]" 1
1864 2 14 VAL MG1 2 14 VAL MG2 1.321 . 6.000 2.081 2.077 2.086 . 0 0 "[ . 1 . 2]" 1
1865 2 14 VAL MG1 2 15 CYS H 3.103 . 4.306 4.050 3.960 4.275 . 0 0 "[ . 1 . 2]" 1
1866 2 14 VAL MG1 2 15 CYS HB2 4.305 . 6.621 5.519 5.264 5.826 . 0 0 "[ . 1 . 2]" 1
1867 2 14 VAL MG1 2 68 CYS HB2 4.367 . 6.751 4.513 3.815 6.050 . 0 0 "[ . 1 . 2]" 1
1868 2 14 VAL MG1 2 69 ARG H 4.083 . 6.167 4.672 3.732 5.884 . 0 0 "[ . 1 . 2]" 1
1869 2 14 VAL MG1 2 110 CYS H 3.333 . 6.000 5.512 4.842 6.237 0.237 18 0 "[ . 1 . 2]" 1
1870 2 14 VAL MG1 2 110 CYS HB2 3.205 . 4.489 4.557 3.925 5.094 0.605 18 2 "[ . 1 . +-2]" 1
1871 2 14 VAL MG2 2 15 CYS H 2.492 . 3.269 2.463 2.096 3.130 . 0 0 "[ . 1 . 2]" 1
1872 2 14 VAL MG2 2 15 CYS HB2 3.300 . 4.661 2.993 2.712 3.554 . 0 0 "[ . 1 . 2]" 1
1873 2 14 VAL MG2 2 68 CYS HB2 3.934 . 5.869 3.767 2.317 4.870 . 0 0 "[ . 1 . 2]" 1
1874 2 14 VAL MG2 2 71 ILE MD 2.577 . 6.000 4.131 3.219 5.011 . 0 0 "[ . 1 . 2]" 1
1875 2 14 VAL MG2 2 110 CYS H 3.624 . 5.266 3.352 2.711 3.935 . 0 0 "[ . 1 . 2]" 1
1876 2 15 CYS H 2 15 CYS HA 2.787 . 3.758 2.933 2.914 2.942 . 0 0 "[ . 1 . 2]" 1
1877 2 15 CYS H 2 15 CYS HB2 2.940 . 4.020 2.986 2.497 3.209 . 0 0 "[ . 1 . 2]" 1
1878 2 15 CYS H 2 15 CYS HB3 3.099 . 4.299 2.975 2.530 3.795 . 0 0 "[ . 1 . 2]" 1
1879 2 15 CYS H 2 68 CYS HB3 3.405 . 6.000 5.043 4.193 6.540 0.540 14 1 "[ . 1 +. 2]" 1
1880 2 15 CYS H 2 110 CYS HB2 4.008 . 6.016 4.619 3.714 5.870 . 0 0 "[ . 1 . 2]" 1
1881 2 15 CYS HB2 2 108 CYS HB2 5.429 . 9.114 3.293 2.114 4.562 . 0 0 "[ . 1 . 2]" 1
1882 2 15 CYS HB2 2 110 CYS H 5.126 . 8.410 4.872 3.898 5.787 . 0 0 "[ . 1 . 2]" 1
1883 2 15 CYS HB3 2 16 ASP HB3 5.206 . 8.593 3.917 3.182 4.717 . 0 0 "[ . 1 . 2]" 1
1884 2 16 ASP H 2 16 ASP HB2 3.862 . 5.727 2.469 2.217 2.762 . 0 0 "[ . 1 . 2]" 1
1885 2 16 ASP H 2 16 ASP HB3 3.501 . 5.033 3.371 2.573 3.679 . 0 0 "[ . 1 . 2]" 1
1886 2 16 ASP HB3 2 59 ARG H 3.590 . 5.201 4.265 3.699 4.860 . 0 0 "[ . 1 . 2]" 1
1887 2 16 ASP HB3 2 59 ARG HA 4.779 . 7.634 5.604 4.994 6.632 . 0 0 "[ . 1 . 2]" 1
1888 2 17 SER HA 2 17 SER QB 3.616 . 4.202 2.284 2.178 2.369 . 0 0 "[ . 1 . 2]" 1
1889 2 17 SER HA 2 18 VAL H 2.220 . 2.836 2.260 2.165 2.387 . 0 0 "[ . 1 . 2]" 1
1890 2 17 SER HA 2 18 VAL HA 3.958 . 5.917 4.399 4.374 4.442 . 0 0 "[ . 1 . 2]" 1
1891 2 17 SER HA 2 18 VAL HB 4.335 . 6.684 4.532 4.394 4.664 . 0 0 "[ . 1 . 2]" 1
1892 2 17 SER HA 2 18 VAL QG 3.974 . 5.948 3.536 3.427 3.611 . 0 0 "[ . 1 . 2]" 1
1893 2 17 SER HA 2 58 CYS HA 2.968 . 4.069 2.668 2.150 3.003 . 0 0 "[ . 1 . 2]" 1
1894 2 17 SER QB 2 18 VAL H 3.032 . 4.181 2.799 2.442 3.140 . 0 0 "[ . 1 . 2]" 1
1895 2 17 SER QB 2 18 VAL QG 4.094 . 6.189 4.143 3.745 4.375 . 0 0 "[ . 1 . 2]" 1
1896 2 17 SER QB 2 57 LYS H 3.527 . 5.082 4.240 3.670 4.627 . 0 0 "[ . 1 . 2]" 1
1897 2 17 SER QB 2 108 CYS HB2 4.504 . 7.040 3.284 2.584 3.933 . 0 0 "[ . 1 . 2]" 1
1898 2 18 VAL H 2 18 VAL HA 2.931 . 4.005 2.942 2.939 2.950 . 0 0 "[ . 1 . 2]" 1
1899 2 18 VAL H 2 18 VAL HB 2.628 . 3.491 3.145 3.039 3.254 . 0 0 "[ . 1 . 2]" 1
1900 2 18 VAL H 2 18 VAL QG . . 2.282 2.064 1.949 2.153 . 0 0 "[ . 1 . 2]" 1
1901 2 18 VAL H 2 56 THR HA 4.842 . 7.772 4.147 3.917 4.343 . 0 0 "[ . 1 . 2]" 1
1902 2 18 VAL H 2 56 THR MG 2.637 . 3.506 3.173 2.792 3.754 0.248 2 0 "[ . 1 . 2]" 1
1903 2 18 VAL H 2 57 LYS H 2.748 . 3.692 2.943 2.785 3.110 . 0 0 "[ . 1 . 2]" 1
1904 2 18 VAL H 2 57 LYS HA 2.977 . 6.000 4.614 4.510 4.696 . 0 0 "[ . 1 . 2]" 1
1905 2 18 VAL H 2 57 LYS QB 3.932 . 4.511 3.737 3.546 3.919 . 0 0 "[ . 1 . 2]" 1
1906 2 18 VAL H 2 58 CYS HA 3.855 . 5.713 3.776 3.290 3.938 . 0 0 "[ . 1 . 2]" 1
1907 2 18 VAL H 2 59 ARG H 3.639 . 5.295 3.631 3.310 4.015 . 0 0 "[ . 1 . 2]" 1
1908 2 18 VAL H 2 59 ARG HB2 3.808 . 5.621 5.155 4.566 6.133 0.512 3 1 "[ + . 1 . 2]" 1
1909 2 18 VAL H 2 59 ARG QG 3.188 . 4.458 3.116 2.662 3.966 . 0 0 "[ . 1 . 2]" 1
1910 2 18 VAL H 2 108 CYS HB3 5.459 . 9.183 5.171 4.714 5.741 . 0 0 "[ . 1 . 2]" 1
1911 2 18 VAL HA 2 18 VAL HB 2.317 . 2.988 2.407 2.380 2.432 . 0 0 "[ . 1 . 2]" 1
1912 2 18 VAL HA 2 18 VAL QG 2.637 . 3.506 2.352 2.319 2.396 . 0 0 "[ . 1 . 2]" 1
1913 2 18 VAL HA 2 19 SER H 2.281 . 2.931 2.140 2.122 2.175 . 0 0 "[ . 1 . 2]" 1
1914 2 18 VAL HA 2 19 SER HB2 5.441 . 9.142 4.805 4.445 5.671 . 0 0 "[ . 1 . 2]" 1
1915 2 18 VAL HA 2 19 SER HB3 6.679 . 12.254 5.374 4.669 5.724 . 0 0 "[ . 1 . 2]" 1
1916 2 18 VAL HB 2 19 SER H 3.505 . 5.041 4.280 4.172 4.341 . 0 0 "[ . 1 . 2]" 1
1917 2 18 VAL HB 2 59 ARG HA 4.849 . 7.788 5.266 4.581 6.020 . 0 0 "[ . 1 . 2]" 1
1918 2 18 VAL HB 2 59 ARG HD2 2.442 . 3.188 2.607 1.853 4.055 0.867 15 1 "[ . 1 + 2]" 1
1919 2 18 VAL HB 2 59 ARG QG 2.022 . 2.533 2.715 2.008 4.166 1.633 15 5 "[ * . *1- + * 2]" 1
1920 2 18 VAL QG 2 19 SER HA 3.542 . 5.110 3.602 3.529 3.653 . 0 0 "[ . 1 . 2]" 1
1921 2 18 VAL QG 2 19 SER HB3 4.069 . 6.139 4.944 4.674 5.108 . 0 0 "[ . 1 . 2]" 1
1922 2 18 VAL QG 2 57 LYS H 2.219 . 2.834 2.397 2.275 2.592 . 0 0 "[ . 1 . 2]" 1
1923 2 18 VAL QG 2 57 LYS QB 1.595 . 1.913 2.089 1.916 2.221 0.308 6 0 "[ . 1 . 2]" 1
1924 2 18 VAL QG 2 57 LYS HE3 3.971 . 5.942 4.867 4.225 5.451 . 0 0 "[ . 1 . 2]" 1
1925 2 18 VAL QG 2 58 CYS H 4.257 . 6.522 4.328 3.897 4.706 . 0 0 "[ . 1 . 2]" 1
1926 2 18 VAL QG 2 59 ARG HA 3.542 . 5.111 3.773 3.335 4.368 . 0 0 "[ . 1 . 2]" 1
1927 2 18 VAL QG 2 59 ARG HB2 2.266 . 6.000 4.111 3.568 4.522 . 0 0 "[ . 1 . 2]" 1
1928 2 18 VAL QG 2 59 ARG HB3 3.413 . 4.869 3.755 2.198 4.626 . 0 0 "[ . 1 . 2]" 1
1929 2 18 VAL QG 2 59 ARG HD3 3.921 . 5.843 3.809 2.638 4.292 . 0 0 "[ . 1 . 2]" 1
1930 2 18 VAL QG 2 59 ARG QG 2.327 . 3.004 2.495 2.114 3.724 0.720 15 1 "[ . 1 + 2]" 1
1931 2 19 SER H 2 19 SER HB2 3.003 . 4.130 2.769 2.480 3.635 . 0 0 "[ . 1 . 2]" 1
1932 2 19 SER H 2 19 SER HB3 4.104 . 6.209 3.378 2.648 3.677 . 0 0 "[ . 1 . 2]" 1
1933 2 19 SER H 2 20 VAL H 3.808 . 5.620 4.379 4.151 4.473 . 0 0 "[ . 1 . 2]" 1
1934 2 19 SER H 2 20 VAL MG2 2.525 . 6.000 4.059 3.437 4.242 . 0 0 "[ . 1 . 2]" 1
1935 2 19 SER H 2 56 THR HA 3.564 . 5.152 4.227 4.077 4.384 . 0 0 "[ . 1 . 2]" 1
1936 2 19 SER H 2 56 THR MG 2.932 . 6.000 3.588 3.346 3.913 . 0 0 "[ . 1 . 2]" 1
1937 2 19 SER H 2 57 LYS H 4.050 . 6.100 4.825 4.714 4.898 . 0 0 "[ . 1 . 2]" 1
1938 2 19 SER HA 2 20 VAL H 2.438 . 3.181 2.137 2.120 2.157 . 0 0 "[ . 1 . 2]" 1
1939 2 19 SER HA 2 20 VAL HB 5.149 . 8.463 4.620 4.554 4.680 . 0 0 "[ . 1 . 2]" 1
1940 2 19 SER HA 2 20 VAL MG2 3.561 . 5.147 3.551 3.422 3.705 . 0 0 "[ . 1 . 2]" 1
1941 2 19 SER HA 2 55 GLU H 4.723 . 7.511 4.601 4.447 4.856 . 0 0 "[ . 1 . 2]" 1
1942 2 19 SER HA 2 56 THR HA 3.269 . 4.604 1.977 1.874 2.237 0.060 1 0 "[ . 1 . 2]" 1
1943 2 19 SER HA 2 57 LYS H 3.953 . 5.906 3.544 3.396 3.743 . 0 0 "[ . 1 . 2]" 1
1944 2 19 SER HB2 2 20 VAL H 4.441 . 6.906 4.160 3.455 4.467 . 0 0 "[ . 1 . 2]" 1
1945 2 19 SER HB2 2 20 VAL HA 4.660 . 7.375 4.960 4.594 5.860 . 0 0 "[ . 1 . 2]" 1
1946 2 19 SER HB2 2 20 VAL MG2 4.306 . 6.624 5.053 4.844 5.395 . 0 0 "[ . 1 . 2]" 1
1947 2 19 SER HB3 2 20 VAL H 3.298 . 4.658 3.736 3.355 4.343 . 0 0 "[ . 1 . 2]" 1
1948 2 19 SER HB3 2 20 VAL MG2 4.001 . 6.002 5.083 4.671 5.399 . 0 0 "[ . 1 . 2]" 1
1949 2 20 VAL H 2 20 VAL HA 2.861 . 3.884 2.948 2.943 2.953 . 0 0 "[ . 1 . 2]" 1
1950 2 20 VAL H 2 20 VAL HB 2.741 . 3.680 2.652 2.601 2.727 . 0 0 "[ . 1 . 2]" 1
1951 2 20 VAL H 2 20 VAL MG1 3.010 . 4.142 3.860 3.835 3.895 . 0 0 "[ . 1 . 2]" 1
1952 2 20 VAL H 2 20 VAL MG2 2.263 . 2.903 2.642 2.582 2.820 . 0 0 "[ . 1 . 2]" 1
1953 2 20 VAL H 2 21 TRP H 3.820 . 5.644 4.398 4.351 4.426 . 0 0 "[ . 1 . 2]" 1
1954 2 20 VAL H 2 21 TRP HA 4.521 . 7.076 4.905 4.811 4.945 . 0 0 "[ . 1 . 2]" 1
1955 2 20 VAL H 2 22 VAL QG 3.995 . 5.990 4.456 3.894 4.831 . 0 0 "[ . 1 . 2]" 1
1956 2 20 VAL H 2 54 PHE HA 4.519 . 7.071 4.377 4.192 4.804 . 0 0 "[ . 1 . 2]" 1
1957 2 20 VAL H 2 55 GLU H 2.767 . 3.724 3.051 2.861 3.264 . 0 0 "[ . 1 . 2]" 1
1958 2 20 VAL H 2 55 GLU HA 3.846 . 5.694 4.601 4.505 4.755 . 0 0 "[ . 1 . 2]" 1
1959 2 20 VAL H 2 55 GLU HB3 4.877 . 7.851 4.760 4.342 5.041 . 0 0 "[ . 1 . 2]" 1
1960 2 20 VAL H 2 56 THR HA 3.684 . 5.380 3.187 2.927 3.385 . 0 0 "[ . 1 . 2]" 1
1961 2 20 VAL HA 2 20 VAL HB 2.438 . 3.181 3.021 3.019 3.023 . 0 0 "[ . 1 . 2]" 1
1962 2 20 VAL HA 2 20 VAL MG1 2.491 . 3.267 2.383 2.365 2.420 . 0 0 "[ . 1 . 2]" 1
1963 2 20 VAL HA 2 20 VAL MG2 2.218 . 2.833 2.422 2.393 2.447 . 0 0 "[ . 1 . 2]" 1
1964 2 20 VAL HA 2 21 TRP H 2.281 . 2.931 2.186 2.169 2.205 . 0 0 "[ . 1 . 2]" 1
1965 2 20 VAL HA 2 55 GLU H 3.387 . 4.821 4.764 4.664 4.891 0.070 9 0 "[ . 1 . 2]" 1
1966 2 20 VAL HB 2 21 TRP H 2.818 . 3.810 4.033 3.972 4.068 0.258 15 0 "[ . 1 . 2]" 1
1967 2 20 VAL HB 2 21 TRP HA 4.331 . 6.676 4.766 4.677 4.928 . 0 0 "[ . 1 . 2]" 1
1968 2 20 VAL HB 2 21 TRP HB3 5.021 . 8.172 6.828 6.783 6.882 . 0 0 "[ . 1 . 2]" 1
1969 2 20 VAL HB 2 22 VAL QG 2.321 . 2.994 2.814 2.476 3.195 0.201 20 0 "[ . 1 . 2]" 1
1970 2 20 VAL MG1 2 21 TRP H 2.257 . 2.894 2.494 2.412 2.538 . 0 0 "[ . 1 . 2]" 1
1971 2 20 VAL MG1 2 22 VAL HA 2.295 . 2.953 3.071 2.831 3.351 0.398 6 0 "[ . 1 . 2]" 1
1972 2 20 VAL MG1 2 22 VAL HB 3.383 . 4.813 4.432 4.246 4.666 . 0 0 "[ . 1 . 2]" 1
1973 2 20 VAL MG1 2 22 VAL QG 1.311 . 6.000 2.233 1.966 2.587 . 0 0 "[ . 1 . 2]" 1
1974 2 20 VAL MG1 2 55 GLU H 3.473 . 4.981 4.318 4.121 4.609 . 0 0 "[ . 1 . 2]" 1
1975 2 20 VAL MG1 2 55 GLU HB2 4.044 . 6.088 4.209 3.702 4.621 . 0 0 "[ . 1 . 2]" 1
1976 2 20 VAL MG1 2 55 GLU HG2 4.380 . 6.778 6.205 5.514 6.850 0.072 4 0 "[ . 1 . 2]" 1
1977 2 20 VAL MG1 2 55 GLU HG3 3.487 . 5.007 4.957 4.431 5.604 0.597 4 1 "[ +. 1 . 2]" 1
1978 2 20 VAL MG2 2 21 TRP H 3.173 . 4.432 4.010 3.926 4.044 . 0 0 "[ . 1 . 2]" 1
1979 2 20 VAL MG2 2 22 VAL H 3.621 . 6.000 5.602 5.499 5.671 . 0 0 "[ . 1 . 2]" 1
1980 2 20 VAL MG2 2 56 THR HA 3.401 . 4.847 4.203 3.745 4.896 0.049 2 0 "[ . 1 . 2]" 1
1981 2 21 TRP H 2 21 TRP HB2 2.726 . 3.655 2.431 2.356 2.490 . 0 0 "[ . 1 . 2]" 1
1982 2 21 TRP H 2 21 TRP HB3 3.582 . 5.185 3.645 3.593 3.682 . 0 0 "[ . 1 . 2]" 1
1983 2 21 TRP H 2 21 TRP HD1 3.608 . 5.235 2.887 2.713 3.092 . 0 0 "[ . 1 . 2]" 1
1984 2 21 TRP H 2 22 VAL H 3.555 . 5.135 4.087 4.040 4.150 . 0 0 "[ . 1 . 2]" 1
1985 2 21 TRP H 2 53 PHE H 5.018 . 8.166 6.442 6.132 6.814 . 0 0 "[ . 1 . 2]" 1
1986 2 21 TRP H 2 54 PHE HA 3.303 . 6.000 4.761 4.467 4.939 . 0 0 "[ . 1 . 2]" 1
1987 2 21 TRP HA 2 21 TRP HB3 2.964 . 4.062 2.533 2.496 2.561 . 0 0 "[ . 1 . 2]" 1
1988 2 21 TRP HA 2 21 TRP HD1 4.085 . 6.171 4.113 3.974 4.224 . 0 0 "[ . 1 . 2]" 1
1989 2 21 TRP HA 2 21 TRP HE3 3.569 . 5.161 3.199 3.004 3.397 . 0 0 "[ . 1 . 2]" 1
1990 2 21 TRP HA 2 21 TRP HZ3 5.778 . 9.950 5.275 5.095 5.460 . 0 0 "[ . 1 . 2]" 1
1991 2 21 TRP HA 2 22 VAL H 2.492 . 3.268 2.163 2.136 2.185 . 0 0 "[ . 1 . 2]" 1
1992 2 21 TRP HA 2 22 VAL HB 4.935 . 7.979 4.677 4.586 4.754 . 0 0 "[ . 1 . 2]" 1
1993 2 21 TRP HA 2 22 VAL QG 3.781 . 5.568 3.624 3.526 3.663 . 0 0 "[ . 1 . 2]" 1
1994 2 21 TRP HA 2 53 PHE H 3.733 . 5.474 3.934 3.561 4.302 . 0 0 "[ . 1 . 2]" 1
1995 2 21 TRP HA 2 54 PHE H 3.299 . 4.660 4.500 4.285 4.765 0.105 14 0 "[ . 1 . 2]" 1
1996 2 21 TRP HA 2 54 PHE HA 2.671 . 3.562 2.582 2.417 2.753 . 0 0 "[ . 1 . 2]" 1
1997 2 21 TRP HA 2 54 PHE HD1 6.803 . 12.587 6.378 3.784 7.144 . 0 0 "[ . 1 . 2]" 1
1998 2 21 TRP HA 2 55 GLU H 3.847 . 5.697 3.458 3.175 3.723 . 0 0 "[ . 1 . 2]" 1
1999 2 21 TRP HB2 2 21 TRP HD1 3.256 . 4.581 2.671 2.630 2.722 . 0 0 "[ . 1 . 2]" 1
2000 2 21 TRP HB2 2 22 VAL H 4.452 . 6.929 4.482 4.458 4.505 . 0 0 "[ . 1 . 2]" 1
2001 2 21 TRP HB3 2 21 TRP HE3 3.184 . 4.451 2.590 2.531 2.650 . 0 0 "[ . 1 . 2]" 1
2002 2 21 TRP HB3 2 21 TRP HZ3 6.211 . 11.033 4.974 4.928 5.023 . 0 0 "[ . 1 . 2]" 1
2003 2 21 TRP HB3 2 22 VAL H 4.038 . 6.076 3.878 3.841 3.902 . 0 0 "[ . 1 . 2]" 1
2004 2 21 TRP HB3 2 22 VAL QG 4.922 . 7.950 5.066 5.016 5.097 . 0 0 "[ . 1 . 2]" 1
2005 2 21 TRP HB3 2 53 PHE H 3.957 . 5.914 4.386 3.961 4.789 . 0 0 "[ . 1 . 2]" 1
2006 2 21 TRP HE3 2 22 VAL H 4.760 . 7.592 4.538 4.282 4.800 . 0 0 "[ . 1 . 2]" 1
2007 2 21 TRP HE3 2 54 PHE H 3.616 . 5.251 4.124 3.842 4.750 . 0 0 "[ . 1 . 2]" 1
2008 2 21 TRP HZ2 2 54 PHE HB3 3.705 . 5.421 4.836 3.384 5.943 0.522 7 1 "[ . + 1 . 2]" 1
2009 2 22 VAL H 2 22 VAL HB 2.501 . 3.283 2.538 2.462 2.603 . 0 0 "[ . 1 . 2]" 1
2010 2 22 VAL H 2 22 VAL QG 2.348 . 3.037 2.157 2.031 2.319 . 0 0 "[ . 1 . 2]" 1
2011 2 22 VAL H 2 23 GLY H 4.377 . 6.772 4.416 4.294 4.567 . 0 0 "[ . 1 . 2]" 1
2012 2 22 VAL H 2 23 GLY HA2 4.248 . 6.503 5.218 5.035 5.371 . 0 0 "[ . 1 . 2]" 1
2013 2 22 VAL H 2 53 PHE H 3.029 . 4.176 2.917 2.723 3.177 . 0 0 "[ . 1 . 2]" 1
2014 2 22 VAL H 2 53 PHE HA 4.179 . 6.362 4.567 4.444 4.674 . 0 0 "[ . 1 . 2]" 1
2015 2 22 VAL H 2 53 PHE HB2 3.222 . 4.520 3.324 2.932 3.670 . 0 0 "[ . 1 . 2]" 1
2016 2 22 VAL H 2 53 PHE HB3 4.426 . 6.875 4.541 4.210 4.875 . 0 0 "[ . 1 . 2]" 1
2017 2 22 VAL H 2 53 PHE QD 5.020 . 8.169 4.545 3.944 5.033 . 0 0 "[ . 1 . 2]" 1
2018 2 22 VAL H 2 54 PHE H 4.496 . 7.023 4.785 4.538 4.908 . 0 0 "[ . 1 . 2]" 1
2019 2 22 VAL H 2 54 PHE HA 3.850 . 5.703 3.661 3.086 3.894 . 0 0 "[ . 1 . 2]" 1
2020 2 22 VAL H 2 55 GLU H 3.805 . 5.615 3.601 3.250 3.861 . 0 0 "[ . 1 . 2]" 1
2021 2 22 VAL H 2 55 GLU HG3 3.308 . 4.676 3.739 3.441 4.197 . 0 0 "[ . 1 . 2]" 1
2022 2 22 VAL HA 2 22 VAL QG 2.329 . 3.007 2.134 2.127 2.143 . 0 0 "[ . 1 . 2]" 1
2023 2 22 VAL HA 2 24 ASP H 3.816 . 5.636 3.501 3.174 4.520 . 0 0 "[ . 1 . 2]" 1
2024 2 22 VAL HB 2 22 VAL QG 1.859 . 2.247 1.894 1.892 1.895 . 0 0 "[ . 1 . 2]" 1
2025 2 22 VAL HB 2 24 ASP H 3.211 . 4.500 4.113 3.691 4.557 0.057 1 0 "[ . 1 . 2]" 1
2026 2 22 VAL HB 2 52 TYR HB3 4.094 . 6.189 5.467 4.469 6.387 0.198 13 0 "[ . 1 . 2]" 1
2027 2 22 VAL HB 2 53 PHE H 3.429 . 4.899 3.262 2.956 3.621 . 0 0 "[ . 1 . 2]" 1
2028 2 22 VAL HB 2 53 PHE QD 4.771 . 7.616 3.040 2.348 3.660 . 0 0 "[ . 1 . 2]" 1
2029 2 22 VAL MG1 2 22 VAL MG2 1.333 . 6.000 2.086 2.078 2.091 . 0 0 "[ . 1 . 2]" 1
2030 2 22 VAL QG 2 24 ASP H 2.055 . 2.583 2.026 1.742 3.053 0.470 14 0 "[ . 1 . 2]" 1
2031 2 22 VAL QG 2 24 ASP HB2 4.594 . 7.232 3.994 2.752 4.959 . 0 0 "[ . 1 . 2]" 1
2032 2 22 VAL QG 2 25 LYS H . . 2.862 2.550 1.896 3.730 0.868 17 1 "[ . 1 . + 2]" 1
2033 2 22 VAL QG 2 53 PHE H 3.871 . 5.648 3.777 3.603 3.973 . 0 0 "[ . 1 . 2]" 1
2034 2 22 VAL QG 2 53 PHE HB2 4.144 . 6.291 3.218 2.826 3.730 . 0 0 "[ . 1 . 2]" 1
2035 2 22 VAL QG 2 53 PHE QD 4.668 . 7.392 3.155 2.636 3.576 . 0 0 "[ . 1 . 2]" 1
2036 2 22 VAL QG 2 55 GLU H 3.445 . 4.929 3.327 3.011 3.592 . 0 0 "[ . 1 . 2]" 1
2037 2 22 VAL QG 2 55 GLU HG2 3.782 . 5.569 3.851 2.934 4.229 . 0 0 "[ . 1 . 2]" 1
2038 2 22 VAL QG 2 55 GLU HG3 2.572 . 3.399 2.558 2.177 3.151 . 0 0 "[ . 1 . 2]" 1
2039 2 23 GLY HA2 2 24 ASP H 3.264 . 4.596 3.176 2.526 3.518 . 0 0 "[ . 1 . 2]" 1
2040 2 23 GLY HA2 2 25 LYS H 3.897 . 5.795 4.298 3.406 5.526 . 0 0 "[ . 1 . 2]" 1
2041 2 23 GLY HA3 2 24 ASP H 4.040 . 6.080 3.307 2.929 3.545 . 0 0 "[ . 1 . 2]" 1
2042 2 23 GLY HA3 2 53 PHE H 4.892 . 7.883 4.979 4.327 5.657 . 0 0 "[ . 1 . 2]" 1
2043 2 24 ASP H 2 24 ASP HA 2.718 . 3.642 2.881 2.264 2.947 . 0 0 "[ . 1 . 2]" 1
2044 2 24 ASP H 2 24 ASP HB2 3.741 . 5.491 3.076 2.449 3.823 . 0 0 "[ . 1 . 2]" 1
2045 2 24 ASP H 2 24 ASP HB3 3.071 . 4.250 3.435 2.772 4.113 . 0 0 "[ . 1 . 2]" 1
2046 2 24 ASP H 2 25 LYS H 2.424 . 3.159 2.780 2.035 3.807 0.648 17 1 "[ . 1 . + 2]" 1
2047 2 24 ASP H 2 53 PHE H 4.040 . 6.081 5.086 2.960 5.912 . 0 0 "[ . 1 . 2]" 1
2048 2 24 ASP HA 2 25 LYS H 2.810 . 3.797 2.731 2.159 3.453 . 0 0 "[ . 1 . 2]" 1
2049 2 24 ASP HA 2 25 LYS HA 4.153 . 6.309 4.608 4.363 5.123 . 0 0 "[ . 1 . 2]" 1
2050 2 24 ASP HB3 2 25 LYS H 4.083 . 6.167 4.394 4.200 4.516 . 0 0 "[ . 1 . 2]" 1
2051 2 25 LYS H 2 25 LYS HA 2.839 . 3.847 2.851 2.271 2.939 . 0 0 "[ . 1 . 2]" 1
2052 2 25 LYS H 2 25 LYS HB2 2.516 . 3.307 2.629 2.367 3.630 0.323 18 0 "[ . 1 . 2]" 1
2053 2 25 LYS H 2 25 LYS HB3 2.240 . 2.867 2.660 2.493 3.753 0.886 14 1 "[ . 1 +. 2]" 1
2054 2 25 LYS H 2 25 LYS HD2 4.127 . 6.256 4.904 4.706 5.364 . 0 0 "[ . 1 . 2]" 1
2055 2 25 LYS H 2 25 LYS HD3 4.579 . 7.200 5.116 4.374 5.939 . 0 0 "[ . 1 . 2]" 1
2056 2 25 LYS H 2 25 LYS QE 5.713 . 8.535 5.952 4.387 6.170 . 0 0 "[ . 1 . 2]" 1
2057 2 25 LYS H 2 25 LYS HG3 4.426 . 6.875 4.395 3.427 4.699 . 0 0 "[ . 1 . 2]" 1
2058 2 25 LYS H 2 38 VAL QG 3.270 . 4.607 4.157 3.296 5.368 0.761 18 1 "[ . 1 . + 2]" 1
2059 2 25 LYS H 2 53 PHE QD 5.170 . 8.511 3.439 2.624 4.881 . 0 0 "[ . 1 . 2]" 1
2060 2 25 LYS HA 2 25 LYS HB3 2.764 . 3.719 2.997 2.540 3.031 . 0 0 "[ . 1 . 2]" 1
2061 2 25 LYS HA 2 25 LYS HD2 4.626 . 7.301 4.329 4.195 4.655 . 0 0 "[ . 1 . 2]" 1
2062 2 25 LYS HA 2 25 LYS HD3 4.634 . 7.318 4.701 4.616 4.871 . 0 0 "[ . 1 . 2]" 1
2063 2 25 LYS HA 2 25 LYS HG3 3.831 . 5.665 2.540 2.314 3.649 . 0 0 "[ . 1 . 2]" 1
2064 2 25 LYS HA 2 26 THR H 2.548 . 3.359 2.311 2.163 3.378 0.019 7 0 "[ . 1 . 2]" 1
2065 2 25 LYS HA 2 27 THR H 4.266 . 6.540 3.971 3.381 5.091 . 0 0 "[ . 1 . 2]" 1
2066 2 25 LYS HB2 2 25 LYS HD3 2.944 . 4.027 3.099 2.905 3.743 . 0 0 "[ . 1 . 2]" 1
2067 2 25 LYS HB2 2 25 LYS HG3 1.941 . 2.412 2.477 2.441 2.532 0.120 14 0 "[ . 1 . 2]" 1
2068 2 25 LYS HB2 2 26 THR H 3.709 . 5.428 4.241 2.781 4.581 . 0 0 "[ . 1 . 2]" 1
2069 2 25 LYS HB3 2 25 LYS HD3 2.609 . 3.460 2.641 2.522 3.650 0.190 11 0 "[ . 1 . 2]" 1
2070 2 25 LYS HB3 2 25 LYS HG3 2.843 . 3.854 3.010 3.005 3.013 . 0 0 "[ . 1 . 2]" 1
2071 2 25 LYS HD2 2 25 LYS QE 3.212 . 4.501 2.340 2.176 2.383 . 0 0 "[ . 1 . 2]" 1
2072 2 25 LYS HD2 2 25 LYS HG3 1.959 . 2.439 2.517 2.462 3.012 0.573 11 1 "[ . 1+ . 2]" 1
2073 2 25 LYS HD3 2 25 LYS QE 3.186 . 4.356 2.245 2.177 2.366 . 0 0 "[ . 1 . 2]" 1
2074 2 25 LYS HD3 2 26 THR H 4.883 . 7.863 5.448 3.450 6.067 . 0 0 "[ . 1 . 2]" 1
2075 2 25 LYS QE 2 25 LYS HG3 . . 3.777 2.679 2.336 2.892 . 0 0 "[ . 1 . 2]" 1
2076 2 25 LYS QE 2 102 ILE MD 2.884 . 3.924 3.378 2.832 6.197 2.273 14 1 "[ . 1 +. 2]" 1
2077 2 25 LYS HG3 2 27 THR H 3.024 . 4.167 3.749 3.128 4.667 0.500 14 0 "[ . 1 . 2]" 1
2078 2 26 THR H 2 26 THR HA 2.602 . 3.448 2.879 2.231 2.941 . 0 0 "[ . 1 . 2]" 1
2079 2 26 THR H 2 26 THR HB 2.779 . 3.744 3.002 2.615 4.064 0.320 7 0 "[ . 1 . 2]" 1
2080 2 26 THR H 2 26 THR MG 2.435 . 3.176 2.250 1.948 3.988 0.812 14 1 "[ . 1 +. 2]" 1
2081 2 26 THR H 2 27 THR H 2.217 . 2.831 2.351 2.031 3.667 0.836 7 1 "[ . + 1 . 2]" 1
2082 2 26 THR H 2 38 VAL QG 4.309 . 6.630 4.380 3.538 5.039 . 0 0 "[ . 1 . 2]" 1
2083 2 26 THR HA 2 26 THR HB 2.545 . 3.354 2.486 2.418 3.024 . 0 0 "[ . 1 . 2]" 1
2084 2 26 THR HA 2 26 THR MG 3.120 . 4.337 3.036 2.253 3.221 . 0 0 "[ . 1 . 2]" 1
2085 2 26 THR HA 2 27 THR H 2.638 . 3.508 3.457 3.236 3.575 0.067 7 0 "[ . 1 . 2]" 1
2086 2 26 THR HA 2 38 VAL H 2.929 . 4.001 3.360 3.087 3.711 . 0 0 "[ . 1 . 2]" 1
2087 2 26 THR HA 2 38 VAL HB 3.223 . 4.522 3.243 2.602 4.050 . 0 0 "[ . 1 . 2]" 1
2088 2 26 THR HB 2 26 THR MG 2.084 . 2.627 2.132 2.125 2.134 . 0 0 "[ . 1 . 2]" 1
2089 2 26 THR HB 2 27 THR H 3.627 . 5.271 4.001 2.390 4.405 . 0 0 "[ . 1 . 2]" 1
2090 2 26 THR MG 2 27 THR H 2.642 . 3.515 2.822 2.088 4.005 0.490 13 0 "[ . 1 . 2]" 1
2091 2 27 THR H 2 27 THR HA 2.571 . 3.397 2.922 2.912 2.933 . 0 0 "[ . 1 . 2]" 1
2092 2 27 THR H 2 27 THR HB 3.349 . 4.751 3.765 3.723 3.818 . 0 0 "[ . 1 . 2]" 1
2093 2 27 THR H 2 27 THR MG 2.571 . 3.397 3.387 3.254 3.530 0.133 12 0 "[ . 1 . 2]" 1
2094 2 27 THR H 2 28 ALA H 3.974 . 5.948 4.334 4.255 4.408 . 0 0 "[ . 1 . 2]" 1
2095 2 27 THR H 2 37 THR HA 3.674 . 5.362 4.823 4.693 4.975 . 0 0 "[ . 1 . 2]" 1
2096 2 27 THR H 2 38 VAL H 3.392 . 4.831 3.985 3.745 4.434 . 0 0 "[ . 1 . 2]" 1
2097 2 27 THR H 2 38 VAL HB 3.278 . 4.621 3.960 3.599 4.703 0.082 14 0 "[ . 1 . 2]" 1
2098 2 27 THR H 2 38 VAL QG 3.297 . 4.656 3.605 3.300 3.918 . 0 0 "[ . 1 . 2]" 1
2099 2 27 THR HA 2 27 THR HB 2.622 . 3.481 2.604 2.558 2.646 . 0 0 "[ . 1 . 2]" 1
2100 2 27 THR HA 2 27 THR MG 2.287 . 2.941 2.226 2.203 2.256 . 0 0 "[ . 1 . 2]" 1
2101 2 27 THR HA 2 28 ALA H 2.151 . 2.729 2.194 2.155 2.243 . 0 0 "[ . 1 . 2]" 1
2102 2 27 THR HA 2 28 ALA MB 3.576 . 5.174 3.937 3.879 3.987 . 0 0 "[ . 1 . 2]" 1
2103 2 27 THR HA 2 36 VAL H 4.364 . 6.745 4.463 4.314 4.617 . 0 0 "[ . 1 . 2]" 1
2104 2 27 THR HA 2 37 THR H 3.933 . 5.866 4.754 4.640 4.884 . 0 0 "[ . 1 . 2]" 1
2105 2 27 THR HA 2 37 THR HA 3.351 . 4.755 2.487 2.374 2.650 . 0 0 "[ . 1 . 2]" 1
2106 2 27 THR HA 2 38 VAL H 3.170 . 4.426 2.569 2.293 2.798 . 0 0 "[ . 1 . 2]" 1
2107 2 27 THR HA 2 38 VAL QG . . 4.622 2.648 2.394 2.882 . 0 0 "[ . 1 . 2]" 1
2108 2 27 THR HB 2 27 THR MG 2.042 . 2.563 2.131 2.128 2.134 . 0 0 "[ . 1 . 2]" 1
2109 2 27 THR HB 2 28 ALA H 2.760 . 3.712 2.979 2.815 3.194 . 0 0 "[ . 1 . 2]" 1
2110 2 27 THR HB 2 28 ALA HA 3.828 . 5.659 4.036 3.905 4.199 . 0 0 "[ . 1 . 2]" 1
2111 2 27 THR HB 2 35 GLU HA 3.949 . 5.899 4.992 4.675 5.357 . 0 0 "[ . 1 . 2]" 1
2112 2 27 THR HB 2 35 GLU HB3 5.606 . 9.535 5.641 5.262 6.200 . 0 0 "[ . 1 . 2]" 1
2113 2 27 THR HB 2 35 GLU HG3 3.052 . 4.217 2.983 2.576 3.419 . 0 0 "[ . 1 . 2]" 1
2114 2 27 THR HB 2 37 THR HA 4.346 . 6.707 4.521 4.124 4.840 . 0 0 "[ . 1 . 2]" 1
2115 2 27 THR HB 2 38 VAL H 5.089 . 8.326 5.153 4.927 5.362 . 0 0 "[ . 1 . 2]" 1
2116 2 27 THR HB 2 38 VAL QG 4.291 . 6.593 4.564 4.367 4.718 . 0 0 "[ . 1 . 2]" 1
2117 2 27 THR MG 2 28 ALA H 3.293 . 4.648 3.459 3.289 3.624 . 0 0 "[ . 1 . 2]" 1
2118 2 27 THR MG 2 35 GLU HG2 2.894 . 3.941 3.192 2.840 4.302 0.361 4 0 "[ . 1 . 2]" 1
2119 2 27 THR MG 2 35 GLU HG3 2.925 . 3.995 3.537 3.023 3.929 . 0 0 "[ . 1 . 2]" 1
2120 2 27 THR MG 2 36 VAL H 3.518 . 5.065 4.409 4.118 4.752 . 0 0 "[ . 1 . 2]" 1
2121 2 27 THR MG 2 38 VAL H 2.902 . 3.954 3.679 3.440 3.896 . 0 0 "[ . 1 . 2]" 1
2122 2 28 ALA H 2 28 ALA HA 2.713 . 3.633 2.912 2.893 2.932 . 0 0 "[ . 1 . 2]" 1
2123 2 28 ALA H 2 28 ALA MB 2.110 . 2.667 2.695 2.622 2.753 0.086 4 0 "[ . 1 . 2]" 1
2124 2 28 ALA H 2 35 GLU HG3 4.661 . 7.376 3.883 3.492 4.209 . 0 0 "[ . 1 . 2]" 1
2125 2 28 ALA H 2 36 VAL H 2.795 . 3.772 2.854 2.736 2.941 . 0 0 "[ . 1 . 2]" 1
2126 2 28 ALA H 2 36 VAL HA 3.269 . 4.605 4.739 4.671 4.807 0.202 19 0 "[ . 1 . 2]" 1
2127 2 28 ALA H 2 36 VAL QG 3.314 . 6.000 2.979 2.740 3.336 . 0 0 "[ . 1 . 2]" 1
2128 2 28 ALA H 2 38 VAL H 3.848 . 5.699 3.930 3.690 4.235 . 0 0 "[ . 1 . 2]" 1
2129 2 28 ALA H 2 38 VAL QG 2.463 . 3.221 2.627 2.460 2.976 . 0 0 "[ . 1 . 2]" 1
2130 2 28 ALA HA 2 28 ALA MB 2.180 . 2.774 2.126 2.120 2.129 . 0 0 "[ . 1 . 2]" 1
2131 2 28 ALA HA 2 29 THR H 2.439 . 3.183 2.407 2.312 2.490 . 0 0 "[ . 1 . 2]" 1
2132 2 28 ALA HA 2 29 THR HB 4.503 . 7.038 4.887 4.686 5.033 . 0 0 "[ . 1 . 2]" 1
2133 2 28 ALA HA 2 38 VAL QG 3.536 . 5.099 3.820 3.653 4.180 . 0 0 "[ . 1 . 2]" 1
2134 2 28 ALA HA 2 102 ILE MD 3.853 . 5.708 4.370 4.235 4.547 . 0 0 "[ . 1 . 2]" 1
2135 2 28 ALA HA 2 102 ILE MG 4.046 . 6.092 4.585 4.309 4.693 . 0 0 "[ . 1 . 2]" 1
2136 2 28 ALA MB 2 29 THR H 2.084 . 2.627 2.362 2.215 2.584 . 0 0 "[ . 1 . 2]" 1
2137 2 28 ALA MB 2 29 THR HB 4.118 . 6.238 4.566 4.411 4.775 . 0 0 "[ . 1 . 2]" 1
2138 2 28 ALA MB 2 36 VAL H 3.344 . 4.741 4.080 3.853 4.194 . 0 0 "[ . 1 . 2]" 1
2139 2 28 ALA MB 2 38 VAL QG 1.321 . 6.000 1.975 1.825 2.389 . 0 0 "[ . 1 . 2]" 1
2140 2 28 ALA MB 2 102 ILE MD 1.481 . 6.000 2.023 1.905 2.152 . 0 0 "[ . 1 . 2]" 1
2141 2 28 ALA MB 2 102 ILE MG 1.694 . 2.053 2.147 1.996 2.280 0.227 2 0 "[ . 1 . 2]" 1
2142 2 28 ALA MB 2 103 ARG H 3.136 . 4.365 3.644 3.369 3.908 . 0 0 "[ . 1 . 2]" 1
2143 2 29 THR H 2 29 THR HB 2.418 . 3.149 2.654 2.552 2.752 . 0 0 "[ . 1 . 2]" 1
2144 2 29 THR H 2 29 THR MG 3.306 . 4.672 3.828 3.808 3.891 . 0 0 "[ . 1 . 2]" 1
2145 2 29 THR H 2 30 ASP H 4.234 . 6.475 4.345 4.277 4.394 . 0 0 "[ . 1 . 2]" 1
2146 2 29 THR H 2 36 VAL H 4.101 . 6.203 4.870 4.742 4.956 . 0 0 "[ . 1 . 2]" 1
2147 2 29 THR H 2 36 VAL QG 4.225 . 6.456 4.449 3.904 4.891 . 0 0 "[ . 1 . 2]" 1
2148 2 29 THR H 2 102 ILE MD 4.155 . 6.313 4.634 4.381 4.905 . 0 0 "[ . 1 . 2]" 1
2149 2 29 THR H 2 102 ILE MG 3.004 . 4.132 3.978 3.677 4.098 . 0 0 "[ . 1 . 2]" 1
2150 2 29 THR H 2 103 ARG HB3 4.869 . 7.832 5.384 4.911 5.694 . 0 0 "[ . 1 . 2]" 1
2151 2 29 THR HA 2 29 THR MG 2.429 . 3.167 2.310 2.252 2.366 . 0 0 "[ . 1 . 2]" 1
2152 2 29 THR HA 2 30 ASP H 2.189 . 2.788 2.112 2.084 2.139 . 0 0 "[ . 1 . 2]" 1
2153 2 29 THR HA 2 35 GLU HA 3.108 . 4.316 2.427 2.082 2.702 . 0 0 "[ . 1 . 2]" 1
2154 2 29 THR HA 2 36 VAL H 3.349 . 4.751 3.322 3.133 3.518 . 0 0 "[ . 1 . 2]" 1
2155 2 29 THR HA 2 102 ILE MD 5.156 . 8.479 4.966 4.822 5.156 . 0 0 "[ . 1 . 2]" 1
2156 2 29 THR HB 2 29 THR MG 1.984 . 2.476 2.135 2.131 2.139 . 0 0 "[ . 1 . 2]" 1
2157 2 29 THR HB 2 30 ASP H 3.935 . 5.871 4.176 4.067 4.236 . 0 0 "[ . 1 . 2]" 1
2158 2 29 THR HB 2 30 ASP HB3 4.852 . 7.794 6.181 6.043 6.316 . 0 0 "[ . 1 . 2]" 1
2159 2 29 THR HB 2 103 ARG HB3 5.069 . 8.281 4.222 3.887 4.602 . 0 0 "[ . 1 . 2]" 1
2160 2 29 THR MG 2 30 ASP H 2.459 . 3.215 2.872 2.806 2.959 . 0 0 "[ . 1 . 2]" 1
2161 2 29 THR MG 2 33 GLY H 2.685 . 3.586 3.213 2.937 3.559 . 0 0 "[ . 1 . 2]" 1
2162 2 29 THR MG 2 33 GLY HA2 2.173 . 2.763 2.340 2.204 2.768 0.005 15 0 "[ . 1 . 2]" 1
2163 2 29 THR MG 2 33 GLY HA3 4.026 . 6.053 3.710 3.545 4.188 . 0 0 "[ . 1 . 2]" 1
2164 2 29 THR MG 2 34 LYS H 2.877 . 3.912 3.270 2.897 3.610 . 0 0 "[ . 1 . 2]" 1
2165 2 29 THR MG 2 35 GLU H 3.829 . 5.662 4.187 3.522 5.022 . 0 0 "[ . 1 . 2]" 1
2166 2 29 THR MG 2 35 GLU HB3 3.878 . 6.000 5.230 4.705 5.797 . 0 0 "[ . 1 . 2]" 1
2167 2 29 THR MG 2 103 ARG H 3.983 . 5.966 4.479 4.283 4.686 . 0 0 "[ . 1 . 2]" 1
2168 2 29 THR MG 2 103 ARG HB3 3.915 . 5.831 4.796 4.584 4.987 . 0 0 "[ . 1 . 2]" 1
2169 2 30 ASP H 2 30 ASP HB2 2.913 . 3.974 2.588 2.412 2.675 . 0 0 "[ . 1 . 2]" 1
2170 2 30 ASP H 2 30 ASP HB3 2.624 . 3.484 2.454 2.382 2.595 . 0 0 "[ . 1 . 2]" 1
2171 2 30 ASP H 2 31 ILE H 4.676 . 7.409 4.620 4.597 4.643 . 0 0 "[ . 1 . 2]" 1
2172 2 30 ASP H 2 32 LYS H 4.654 . 7.362 4.877 4.738 4.991 . 0 0 "[ . 1 . 2]" 1
2173 2 30 ASP H 2 33 GLY H 3.708 . 5.427 4.152 4.023 4.395 . 0 0 "[ . 1 . 2]" 1
2174 2 30 ASP H 2 34 LYS H 2.941 . 4.023 3.151 2.980 3.318 . 0 0 "[ . 1 . 2]" 1
2175 2 30 ASP H 2 34 LYS QB . . 3.160 3.374 3.108 3.622 0.462 6 0 "[ . 1 . 2]" 1
2176 2 30 ASP H 2 35 GLU H 3.974 . 5.948 4.745 4.628 4.869 . 0 0 "[ . 1 . 2]" 1
2177 2 30 ASP H 2 35 GLU HA 3.265 . 4.598 3.499 3.322 3.730 . 0 0 "[ . 1 . 2]" 1
2178 2 30 ASP H 2 36 VAL H 3.665 . 5.344 3.792 3.581 3.950 . 0 0 "[ . 1 . 2]" 1
2179 2 30 ASP H 2 36 VAL QG 2.674 . 3.568 2.885 2.737 3.008 . 0 0 "[ . 1 . 2]" 1
2180 2 30 ASP H 2 102 ILE MG 2.877 . 3.911 3.445 3.185 3.873 . 0 0 "[ . 1 . 2]" 1
2181 2 30 ASP HA 2 31 ILE H 2.896 . 3.944 2.395 2.324 2.447 . 0 0 "[ . 1 . 2]" 1
2182 2 30 ASP HA 2 32 LYS H 4.276 . 6.562 4.128 3.922 4.236 . 0 0 "[ . 1 . 2]" 1
2183 2 30 ASP HA 2 36 VAL QG 3.652 . 5.319 3.686 3.221 4.216 . 0 0 "[ . 1 . 2]" 1
2184 2 30 ASP HA 2 102 ILE HA 3.530 . 5.088 2.205 2.050 2.659 . 0 0 "[ . 1 . 2]" 1
2185 2 30 ASP HA 2 102 ILE HB 4.510 . 7.052 4.076 3.806 4.322 . 0 0 "[ . 1 . 2]" 1
2186 2 30 ASP HA 2 102 ILE HG12 4.618 . 7.283 5.301 5.040 5.657 . 0 0 "[ . 1 . 2]" 1
2187 2 30 ASP HA 2 102 ILE MG 2.815 . 3.805 2.472 2.170 2.739 . 0 0 "[ . 1 . 2]" 1
2188 2 30 ASP HA 2 103 ARG H 3.855 . 5.713 3.793 3.627 4.226 . 0 0 "[ . 1 . 2]" 1
2189 2 30 ASP HB3 2 31 ILE H 3.617 . 5.252 3.675 3.593 3.753 . 0 0 "[ . 1 . 2]" 1
2190 2 30 ASP HB3 2 32 LYS QB 2.588 . 3.425 3.389 2.819 3.638 0.213 20 0 "[ . 1 . 2]" 1
2191 2 30 ASP HB3 2 36 VAL QG 3.778 . 5.562 3.310 3.134 3.623 . 0 0 "[ . 1 . 2]" 1
2192 2 30 ASP HB3 2 36 VAL QG 3.504 . 5.038 2.886 1.939 3.396 0.031 3 0 "[ . 1 . 2]" 1
2193 2 30 ASP HB3 2 102 ILE MG 4.130 . 6.262 4.366 4.066 4.831 . 0 0 "[ . 1 . 2]" 1
2194 2 31 ILE H 2 31 ILE HB 2.632 . 3.498 2.521 2.456 2.575 . 0 0 "[ . 1 . 2]" 1
2195 2 31 ILE H 2 31 ILE MD 4.084 . 6.169 4.375 4.343 4.395 . 0 0 "[ . 1 . 2]" 1
2196 2 31 ILE H 2 31 ILE HG12 3.956 . 5.912 4.484 4.469 4.507 . 0 0 "[ . 1 . 2]" 1
2197 2 31 ILE H 2 31 ILE HG13 3.822 . 5.648 4.435 4.395 4.465 . 0 0 "[ . 1 . 2]" 1
2198 2 31 ILE H 2 31 ILE MG 2.223 . 2.841 2.024 1.976 2.090 . 0 0 "[ . 1 . 2]" 1
2199 2 31 ILE H 2 32 LYS H 2.780 . 3.746 2.687 2.597 2.769 . 0 0 "[ . 1 . 2]" 1
2200 2 31 ILE H 2 32 LYS QG 3.092 . 4.287 4.053 3.904 4.185 . 0 0 "[ . 1 . 2]" 1
2201 2 31 ILE H 2 33 GLY H 4.201 . 6.407 4.084 4.000 4.196 . 0 0 "[ . 1 . 2]" 1
2202 2 31 ILE H 2 101 PHE HB3 4.461 . 6.948 4.244 3.778 4.530 . 0 0 "[ . 1 . 2]" 1
2203 2 31 ILE H 2 102 ILE HA 4.607 . 7.260 3.634 3.373 3.847 . 0 0 "[ . 1 . 2]" 1
2204 2 31 ILE H 2 102 ILE MG 3.794 . 5.594 4.340 4.101 4.566 . 0 0 "[ . 1 . 2]" 1
2205 2 31 ILE HA 2 31 ILE MD 4.315 . 6.643 3.792 3.772 3.827 . 0 0 "[ . 1 . 2]" 1
2206 2 31 ILE HA 2 31 ILE HG12 2.921 . 3.987 3.128 3.086 3.169 . 0 0 "[ . 1 . 2]" 1
2207 2 31 ILE HA 2 31 ILE HG13 3.651 . 5.318 2.483 2.438 2.537 . 0 0 "[ . 1 . 2]" 1
2208 2 31 ILE HA 2 31 ILE MG 3.454 . 4.945 3.213 3.210 3.217 . 0 0 "[ . 1 . 2]" 1
2209 2 31 ILE HA 2 32 LYS H 3.206 . 4.491 3.463 3.425 3.496 . 0 0 "[ . 1 . 2]" 1
2210 2 31 ILE HA 2 32 LYS QB 5.147 . 8.458 5.446 5.396 5.486 . 0 0 "[ . 1 . 2]" 1
2211 2 31 ILE HA 2 33 GLY H 3.556 . 5.136 3.608 3.414 3.767 . 0 0 "[ . 1 . 2]" 1
2212 2 31 ILE HB 2 31 ILE MD 2.450 . 3.200 2.410 2.393 2.433 . 0 0 "[ . 1 . 2]" 1
2213 2 31 ILE HB 2 31 ILE HG12 2.887 . 3.929 3.028 3.026 3.030 . 0 0 "[ . 1 . 2]" 1
2214 2 31 ILE HB 2 31 ILE MG 1.980 . 2.470 2.125 2.124 2.127 . 0 0 "[ . 1 . 2]" 1
2215 2 31 ILE HB 2 101 PHE HB2 3.146 . 4.384 2.910 2.543 3.114 . 0 0 "[ . 1 . 2]" 1
2216 2 31 ILE HB 2 103 ARG HA 4.488 . 7.006 6.239 5.639 6.555 . 0 0 "[ . 1 . 2]" 1
2217 2 31 ILE MD 2 31 ILE HG12 2.100 . 2.651 2.117 2.116 2.119 . 0 0 "[ . 1 . 2]" 1
2218 2 31 ILE MD 2 31 ILE HG13 2.084 . 2.627 2.120 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
2219 2 31 ILE MD 2 31 ILE MG 1.969 . 2.454 1.934 1.907 1.954 . 0 0 "[ . 1 . 2]" 1
2220 2 31 ILE MD 2 32 LYS H 4.288 . 6.587 4.898 4.773 5.022 . 0 0 "[ . 1 . 2]" 1
2221 2 31 ILE MD 2 86 PHE HB3 3.833 . 5.669 3.859 3.456 4.261 . 0 0 "[ . 1 . 2]" 1
2222 2 31 ILE MD 2 86 PHE HD1 5.056 . 8.252 4.303 3.585 4.728 . 0 0 "[ . 1 . 2]" 1
2223 2 31 ILE MD 2 86 PHE HZ 4.435 . 6.893 4.619 4.301 4.924 . 0 0 "[ . 1 . 2]" 1
2224 2 31 ILE MD 2 101 PHE HB2 2.834 . 3.838 3.763 3.380 4.061 0.223 4 0 "[ . 1 . 2]" 1
2225 2 31 ILE HG12 2 31 ILE MG 2.616 . 3.472 2.383 2.368 2.403 . 0 0 "[ . 1 . 2]" 1
2226 2 31 ILE HG13 2 33 GLY H 5.207 . 8.596 5.577 5.401 5.779 . 0 0 "[ . 1 . 2]" 1
2227 2 31 ILE HG13 2 86 PHE HE1 6.104 . 10.761 3.786 3.247 4.191 . 0 0 "[ . 1 . 2]" 1
2228 2 31 ILE MG 2 32 LYS H 2.615 . 3.470 2.437 2.331 2.582 . 0 0 "[ . 1 . 2]" 1
2229 2 31 ILE MG 2 32 LYS HA 4.034 . 6.068 3.436 3.382 3.508 . 0 0 "[ . 1 . 2]" 1
2230 2 31 ILE MG 2 32 LYS QB 3.960 . 5.920 3.754 3.643 3.912 . 0 0 "[ . 1 . 2]" 1
2231 2 31 ILE MG 2 32 LYS HD2 3.205 . 4.489 4.230 4.052 4.528 0.039 3 0 "[ . 1 . 2]" 1
2232 2 31 ILE MG 2 32 LYS QG . . 2.536 2.204 2.062 2.460 . 0 0 "[ . 1 . 2]" 1
2233 2 31 ILE MG 2 33 GLY H 4.580 . 7.202 4.281 4.234 4.362 . 0 0 "[ . 1 . 2]" 1
2234 2 31 ILE MG 2 101 PHE H 3.373 . 4.795 3.475 3.323 3.811 . 0 0 "[ . 1 . 2]" 1
2235 2 31 ILE MG 2 101 PHE HB2 2.670 . 3.561 2.461 2.259 2.908 . 0 0 "[ . 1 . 2]" 1
2236 2 31 ILE MG 2 101 PHE HD1 4.801 . 7.682 4.133 2.277 5.525 . 0 0 "[ . 1 . 2]" 1
2237 2 32 LYS H 2 32 LYS HA 2.783 . 3.751 2.885 2.864 2.910 . 0 0 "[ . 1 . 2]" 1
2238 2 32 LYS H 2 32 LYS QB 2.027 . 2.541 2.432 2.384 2.489 . 0 0 "[ . 1 . 2]" 1
2239 2 32 LYS H 2 32 LYS HD2 3.407 . 4.858 3.922 3.596 4.603 . 0 0 "[ . 1 . 2]" 1
2240 2 32 LYS H 2 32 LYS HE3 4.835 . 7.757 4.928 4.130 5.943 . 0 0 "[ . 1 . 2]" 1
2241 2 32 LYS H 2 32 LYS QG . . 2.668 2.243 2.068 2.387 . 0 0 "[ . 1 . 2]" 1
2242 2 32 LYS H 2 33 GLY H 2.026 . 2.539 2.472 2.369 2.589 0.050 4 0 "[ . 1 . 2]" 1
2243 2 32 LYS H 2 33 GLY HA2 4.622 . 7.292 4.827 4.757 4.916 . 0 0 "[ . 1 . 2]" 1
2244 2 32 LYS H 2 33 GLY HA3 4.705 . 7.472 5.129 5.050 5.198 . 0 0 "[ . 1 . 2]" 1
2245 2 32 LYS H 2 34 LYS H 3.323 . 4.703 3.527 3.419 3.625 . 0 0 "[ . 1 . 2]" 1
2246 2 32 LYS H 2 34 LYS HA 5.353 . 8.935 6.337 6.202 6.486 . 0 0 "[ . 1 . 2]" 1
2247 2 32 LYS H 2 34 LYS QG 3.468 . 4.971 4.180 3.897 4.486 . 0 0 "[ . 1 . 2]" 1
2248 2 32 LYS HA 2 32 LYS HD2 3.065 . 6.000 4.557 3.023 4.665 . 0 0 "[ . 1 . 2]" 1
2249 2 32 LYS HA 2 32 LYS HE3 4.848 . 7.786 5.479 4.875 6.203 . 0 0 "[ . 1 . 2]" 1
2250 2 32 LYS HA 2 32 LYS QG 3.024 . 4.167 2.505 2.435 2.982 . 0 0 "[ . 1 . 2]" 1
2251 2 32 LYS HA 2 33 GLY H 3.108 . 4.316 3.321 3.204 3.370 . 0 0 "[ . 1 . 2]" 1
2252 2 32 LYS QB 2 32 LYS HD2 1.996 . 2.494 2.307 2.148 2.458 . 0 0 "[ . 1 . 2]" 1
2253 2 32 LYS QB 2 32 LYS HE3 3.786 . 5.578 4.026 3.882 4.250 . 0 0 "[ . 1 . 2]" 1
2254 2 32 LYS QB 2 32 LYS QG 2.416 . 3.146 2.080 2.001 2.087 . 0 0 "[ . 1 . 2]" 1
2255 2 32 LYS QB 2 33 GLY H 2.979 . 4.088 3.263 3.147 3.482 . 0 0 "[ . 1 . 2]" 1
2256 2 32 LYS QB 2 34 LYS H 2.842 . 3.852 3.180 2.939 3.511 . 0 0 "[ . 1 . 2]" 1
2257 2 32 LYS HD2 2 34 LYS H 4.740 . 7.549 5.366 4.791 6.643 . 0 0 "[ . 1 . 2]" 1
2258 2 32 LYS HE3 2 32 LYS QG 2.001 . 2.501 2.598 2.302 3.308 0.807 3 5 "[* + . 1- * * 2]" 1
2259 2 32 LYS QG 2 33 GLY H 3.972 . 5.944 4.232 4.108 4.312 . 0 0 "[ . 1 . 2]" 1
2260 2 33 GLY H 2 33 GLY HA2 2.382 . 3.091 2.359 2.327 2.391 . 0 0 "[ . 1 . 2]" 1
2261 2 33 GLY H 2 34 LYS H 1.980 . 2.470 2.248 2.173 2.392 . 0 0 "[ . 1 . 2]" 1
2262 2 33 GLY HA2 2 34 LYS H 3.058 . 4.227 3.059 2.956 3.151 . 0 0 "[ . 1 . 2]" 1
2263 2 33 GLY HA3 2 34 LYS H 3.214 . 4.505 3.422 3.358 3.478 . 0 0 "[ . 1 . 2]" 1
2264 2 34 LYS H 2 34 LYS HA 2.612 . 3.465 2.920 2.890 2.940 . 0 0 "[ . 1 . 2]" 1
2265 2 34 LYS H 2 34 LYS QB . . 2.527 2.451 2.377 2.506 . 0 0 "[ . 1 . 2]" 1
2266 2 34 LYS H 2 34 LYS HD3 2.913 . 3.974 3.849 3.661 4.842 0.868 6 1 "[ .+ 1 . 2]" 1
2267 2 34 LYS H 2 34 LYS HE2 4.853 . 7.797 5.296 4.686 6.044 . 0 0 "[ . 1 . 2]" 1
2268 2 34 LYS H 2 34 LYS HE3 5.008 . 8.142 5.375 4.670 5.954 . 0 0 "[ . 1 . 2]" 1
2269 2 34 LYS H 2 34 LYS QG . . 2.687 2.497 2.273 2.632 . 0 0 "[ . 1 . 2]" 1
2270 2 34 LYS H 2 35 GLU H 4.010 . 6.020 4.488 4.280 4.580 . 0 0 "[ . 1 . 2]" 1
2271 2 34 LYS HA 2 34 LYS QB 2.983 . 4.095 2.360 2.337 2.388 . 0 0 "[ . 1 . 2]" 1
2272 2 34 LYS HA 2 34 LYS HD3 2.688 . 3.591 2.287 2.100 4.418 0.827 6 1 "[ .+ 1 . 2]" 1
2273 2 34 LYS HA 2 34 LYS HE2 5.163 . 8.495 4.574 4.320 5.349 . 0 0 "[ . 1 . 2]" 1
2274 2 34 LYS HA 2 34 LYS HE3 6.292 . 11.241 4.752 4.409 6.204 . 0 0 "[ . 1 . 2]" 1
2275 2 34 LYS HA 2 34 LYS QG 3.266 . 4.600 2.947 2.522 3.027 . 0 0 "[ . 1 . 2]" 1
2276 2 34 LYS HA 2 35 GLU H 2.078 . 2.618 2.217 2.147 2.368 . 0 0 "[ . 1 . 2]" 1
2277 2 34 LYS HA 2 35 GLU HB3 4.200 . 6.405 4.645 4.559 4.735 . 0 0 "[ . 1 . 2]" 1
2278 2 34 LYS HA 2 35 GLU HG2 5.824 . 10.063 6.572 6.475 6.792 . 0 0 "[ . 1 . 2]" 1
2279 2 34 LYS HA 2 35 GLU HG3 5.772 . 9.936 6.496 6.444 6.574 . 0 0 "[ . 1 . 2]" 1
2280 2 34 LYS QB 2 34 LYS HD3 1.704 . 2.939 2.943 2.370 3.062 0.123 10 0 "[ . 1 . 2]" 1
2281 2 34 LYS QB 2 34 LYS HE2 4.330 . 5.041 4.263 3.945 4.519 . 0 0 "[ . 1 . 2]" 1
2282 2 34 LYS QB 2 34 LYS QG 2.300 . 2.687 1.998 1.990 2.083 . 0 0 "[ . 1 . 2]" 1
2283 2 34 LYS QB 2 35 GLU H . . 2.284 2.983 2.425 3.478 1.194 4 15 "[***+.****** **. - **]" 1
2284 2 34 LYS HD3 2 34 LYS HE2 1.889 . 2.335 2.534 2.384 3.011 0.676 20 4 "[ -* * 1 . +]" 1
2285 2 34 LYS HD3 2 34 LYS HE3 2.726 . 3.655 2.718 2.456 3.013 . 0 0 "[ . 1 . 2]" 1
2286 2 34 LYS HE2 2 34 LYS QG 2.178 . 2.771 2.728 2.332 3.298 0.527 2 7 "[ + . -** * . ** 2]" 1
2287 2 34 LYS HE3 2 34 LYS QG 3.046 . 4.206 2.545 2.305 3.303 . 0 0 "[ . 1 . 2]" 1
2288 2 34 LYS QG 2 35 GLU H 3.703 . 5.417 4.568 4.162 4.808 . 0 0 "[ . 1 . 2]" 1
2289 2 35 GLU H 2 35 GLU HA 2.861 . 3.884 2.906 2.877 2.939 . 0 0 "[ . 1 . 2]" 1
2290 2 35 GLU H 2 35 GLU HB3 2.023 . 2.534 2.485 2.405 2.594 0.060 7 0 "[ . 1 . 2]" 1
2291 2 35 GLU H 2 35 GLU HG2 3.775 . 5.556 4.427 4.354 4.655 . 0 0 "[ . 1 . 2]" 1
2292 2 35 GLU H 2 35 GLU HG3 4.414 . 6.850 4.553 4.462 4.613 . 0 0 "[ . 1 . 2]" 1
2293 2 35 GLU H 2 36 VAL H 3.863 . 5.728 4.373 4.290 4.422 . 0 0 "[ . 1 . 2]" 1
2294 2 35 GLU H 2 36 VAL QG 3.570 . 5.163 3.912 3.677 4.119 . 0 0 "[ . 1 . 2]" 1
2295 2 35 GLU HA 2 35 GLU HG2 3.546 . 5.118 3.273 3.105 3.756 . 0 0 "[ . 1 . 2]" 1
2296 2 35 GLU HA 2 35 GLU HG3 2.849 . 3.864 2.618 2.510 2.977 . 0 0 "[ . 1 . 2]" 1
2297 2 35 GLU HB3 2 35 GLU HG2 2.144 . 2.719 2.407 2.301 2.456 . 0 0 "[ . 1 . 2]" 1
2298 2 35 GLU HB3 2 35 GLU HG3 2.589 . 3.427 2.932 2.476 3.011 . 0 0 "[ . 1 . 2]" 1
2299 2 35 GLU HB3 2 36 VAL H 4.027 . 6.054 4.302 4.223 4.349 . 0 0 "[ . 1 . 2]" 1
2300 2 35 GLU HB3 2 36 VAL QG 4.012 . 6.024 4.670 4.491 4.772 . 0 0 "[ . 1 . 2]" 1
2301 2 35 GLU HG2 2 36 VAL H 3.524 . 5.076 3.666 3.374 4.811 . 0 0 "[ . 1 . 2]" 1
2302 2 35 GLU HG3 2 36 VAL H 3.617 . 5.252 3.346 3.105 3.491 . 0 0 "[ . 1 . 2]" 1
2303 2 36 VAL H 2 36 VAL HA 2.331 . 3.010 2.942 2.937 2.945 . 0 0 "[ . 1 . 2]" 1
2304 2 36 VAL H 2 36 VAL HB 2.986 . 4.100 3.768 3.742 3.797 . 0 0 "[ . 1 . 2]" 1
2305 2 36 VAL H 2 36 VAL QG 2.461 . 3.067 2.037 1.977 2.087 . 0 0 "[ . 1 . 2]" 1
2306 2 36 VAL HA 2 36 VAL HB 2.981 . 4.092 2.490 2.442 2.541 . 0 0 "[ . 1 . 2]" 1
2307 2 36 VAL HA 2 36 VAL QG 2.569 . 3.394 2.269 2.226 2.302 . 0 0 "[ . 1 . 2]" 1
2308 2 36 VAL HA 2 37 THR H 2.309 . 2.976 2.284 2.211 2.355 . 0 0 "[ . 1 . 2]" 1
2309 2 36 VAL HB 2 36 VAL QG 2.029 . 2.439 1.896 1.894 1.897 . 0 0 "[ . 1 . 2]" 1
2310 2 36 VAL HB 2 37 THR H 2.280 . 2.930 2.582 2.409 2.755 . 0 0 "[ . 1 . 2]" 1
2311 2 36 VAL HB 2 37 THR HB 4.577 . 7.196 4.729 4.523 4.923 . 0 0 "[ . 1 . 2]" 1
2312 2 36 VAL HB 2 91 THR HB 2.824 . 3.821 2.385 2.072 2.856 . 0 0 "[ . 1 . 2]" 1
2313 2 36 VAL HB 2 92 THR MG 4.590 . 7.224 4.811 4.442 5.319 . 0 0 "[ . 1 . 2]" 1
2314 2 36 VAL MG1 2 36 VAL MG2 1.494 . 6.000 2.076 2.071 2.081 . 0 0 "[ . 1 . 2]" 1
2315 2 36 VAL QG 2 37 THR H 3.296 . 4.298 3.233 3.145 3.307 . 0 0 "[ . 1 . 2]" 1
2316 2 36 VAL QG 2 91 THR HB 3.184 . 4.451 2.560 2.198 3.068 . 0 0 "[ . 1 . 2]" 1
2317 2 36 VAL QG 2 92 THR H 4.046 . 6.093 4.237 3.902 4.651 . 0 0 "[ . 1 . 2]" 1
2318 2 36 VAL QG 2 93 ASP H 4.324 . 6.661 4.399 3.615 5.738 . 0 0 "[ . 1 . 2]" 1
2319 2 36 VAL QG 2 93 ASP HB3 3.662 . 5.338 3.846 1.956 6.095 0.757 4 1 "[ +. 1 . 2]" 1
2320 2 37 THR H 2 37 THR HA 2.303 . 2.966 2.892 2.878 2.908 . 0 0 "[ . 1 . 2]" 1
2321 2 37 THR H 2 37 THR HB 2.238 . 2.864 2.556 2.513 2.604 . 0 0 "[ . 1 . 2]" 1
2322 2 37 THR H 2 37 THR MG 3.174 . 4.433 3.779 3.766 3.796 . 0 0 "[ . 1 . 2]" 1
2323 2 37 THR H 2 91 THR HA 3.942 . 5.884 5.153 4.881 5.575 . 0 0 "[ . 1 . 2]" 1
2324 2 37 THR H 2 92 THR H 3.028 . 4.174 3.465 3.062 3.982 . 0 0 "[ . 1 . 2]" 1
2325 2 37 THR H 2 92 THR HA 3.937 . 5.874 5.207 4.729 6.287 0.413 4 0 "[ . 1 . 2]" 1
2326 2 37 THR H 2 92 THR MG 3.191 . 4.464 3.443 3.070 3.874 . 0 0 "[ . 1 . 2]" 1
2327 2 37 THR HA 2 37 THR HB 2.801 . 3.782 3.019 3.014 3.022 . 0 0 "[ . 1 . 2]" 1
2328 2 37 THR HA 2 37 THR MG 2.339 . 3.023 2.345 2.315 2.375 . 0 0 "[ . 1 . 2]" 1
2329 2 37 THR HA 2 38 VAL H 2.217 . 2.831 2.136 2.117 2.159 . 0 0 "[ . 1 . 2]" 1
2330 2 37 THR HA 2 39 LEU QD 3.433 . 4.907 5.215 4.876 5.592 0.685 14 3 "[ - .* 1 +. 2]" 1
2331 2 37 THR HA 2 39 LEU HG 4.243 . 6.493 6.301 5.954 6.831 0.338 14 0 "[ . 1 . 2]" 1
2332 2 37 THR HA 2 92 THR H 4.021 . 6.042 4.712 4.463 5.025 . 0 0 "[ . 1 . 2]" 1
2333 2 37 THR HB 2 37 THR MG 1.753 . 2.137 2.134 2.132 2.135 . 0 0 "[ . 1 . 2]" 1
2334 2 37 THR HB 2 38 VAL H 3.909 . 5.819 4.223 4.083 4.315 . 0 0 "[ . 1 . 2]" 1
2335 2 37 THR HB 2 92 THR H 2.384 . 3.094 2.997 2.640 3.392 0.298 14 0 "[ . 1 . 2]" 1
2336 2 38 VAL H 2 38 VAL HB 2.412 . 3.139 2.530 2.452 2.637 . 0 0 "[ . 1 . 2]" 1
2337 2 38 VAL H 2 38 VAL QG 2.310 . 2.977 2.215 1.999 2.319 . 0 0 "[ . 1 . 2]" 1
2338 2 38 VAL H 2 39 LEU QD 4.516 . 7.065 4.750 4.502 5.186 . 0 0 "[ . 1 . 2]" 1
2339 2 38 VAL H 2 91 THR HA 4.208 . 6.421 4.985 4.703 5.378 . 0 0 "[ . 1 . 2]" 1
2340 2 38 VAL H 2 91 THR MG 3.342 . 4.738 4.035 3.732 4.245 . 0 0 "[ . 1 . 2]" 1
2341 2 38 VAL HA 2 38 VAL QG 2.411 . 3.137 2.133 2.125 2.152 . 0 0 "[ . 1 . 2]" 1
2342 2 38 VAL HA 2 39 LEU H 2.748 . 3.692 2.178 2.119 2.215 . 0 0 "[ . 1 . 2]" 1
2343 2 38 VAL HA 2 39 LEU HG 3.836 . 5.676 3.702 3.523 3.832 . 0 0 "[ . 1 . 2]" 1
2344 2 38 VAL HA 2 91 THR HA 3.196 . 4.473 2.594 2.242 2.961 . 0 0 "[ . 1 . 2]" 1
2345 2 38 VAL HA 2 92 THR H 3.944 . 5.889 3.794 3.508 4.011 . 0 0 "[ . 1 . 2]" 1
2346 2 38 VAL HB 2 38 VAL QG 1.938 . 2.408 1.894 1.893 1.896 . 0 0 "[ . 1 . 2]" 1
2347 2 38 VAL HB 2 39 LEU H 4.595 . 7.234 4.046 3.897 4.208 . 0 0 "[ . 1 . 2]" 1
2348 2 38 VAL HB 2 39 LEU QD 4.609 . 7.264 5.265 5.061 5.530 . 0 0 "[ . 1 . 2]" 1
2349 2 38 VAL HB 2 53 PHE HZ 4.879 . 7.855 4.921 3.998 5.301 . 0 0 "[ . 1 . 2]" 1
2350 2 38 VAL HB 2 102 ILE MD 3.260 . 4.589 4.215 3.761 4.946 0.357 14 0 "[ . 1 . 2]" 1
2351 2 38 VAL MG1 2 38 VAL MG2 1.670 . 2.019 2.080 2.072 2.092 0.073 14 0 "[ . 1 . 2]" 1
2352 2 38 VAL QG 2 39 LEU H 2.618 . 3.475 2.468 2.267 2.689 . 0 0 "[ . 1 . 2]" 1
2353 2 38 VAL QG 2 53 PHE HZ 3.105 . 4.310 2.368 2.053 2.667 . 0 0 "[ . 1 . 2]" 1
2354 2 38 VAL QG 2 91 THR HA 3.877 . 5.756 3.660 3.358 3.904 . 0 0 "[ . 1 . 2]" 1
2355 2 38 VAL QG 2 102 ILE MD 1.515 . 6.000 2.030 1.832 2.490 . 0 0 "[ . 1 . 2]" 1
2356 2 38 VAL QG 2 102 ILE HG12 2.503 . 6.000 3.983 3.591 4.630 . 0 0 "[ . 1 . 2]" 1
2357 2 39 LEU H 2 39 LEU HB2 2.842 . 3.851 2.548 2.436 2.623 . 0 0 "[ . 1 . 2]" 1
2358 2 39 LEU H 2 39 LEU HB3 3.650 . 5.315 3.664 3.607 3.718 . 0 0 "[ . 1 . 2]" 1
2359 2 39 LEU H 2 39 LEU QD 3.818 . 4.692 3.193 3.084 3.301 . 0 0 "[ . 1 . 2]" 1
2360 2 39 LEU H 2 39 LEU HG 2.577 . 3.407 2.511 2.324 2.701 . 0 0 "[ . 1 . 2]" 1
2361 2 39 LEU H 2 91 THR HA 3.532 . 5.091 2.767 2.554 3.129 . 0 0 "[ . 1 . 2]" 1
2362 2 39 LEU H 2 91 THR MG 3.473 . 4.980 3.123 2.579 3.609 . 0 0 "[ . 1 . 2]" 1
2363 2 39 LEU HA 2 39 LEU HB3 2.968 . 4.069 2.436 2.411 2.482 . 0 0 "[ . 1 . 2]" 1
2364 2 39 LEU HA 2 39 LEU QD . . 2.768 2.105 2.021 2.153 . 0 0 "[ . 1 . 2]" 1
2365 2 39 LEU HA 2 39 LEU HG 2.801 . 3.781 3.195 3.064 3.256 . 0 0 "[ . 1 . 2]" 1
2366 2 39 LEU HB2 2 39 LEU QD 2.346 . 3.034 2.271 2.256 2.304 . 0 0 "[ . 1 . 2]" 1
2367 2 39 LEU HB2 2 39 LEU HG 2.008 . 2.512 2.467 2.435 2.486 . 0 0 "[ . 1 . 2]" 1
2368 2 39 LEU HB3 2 39 LEU QD 2.109 . 2.574 2.113 2.104 2.120 . 0 0 "[ . 1 . 2]" 1
2369 2 39 LEU HB3 2 39 LEU HG 2.626 . 3.488 3.017 3.015 3.020 . 0 0 "[ . 1 . 2]" 1
2370 2 39 LEU HB3 2 40 ALA H 3.555 . 5.135 3.579 3.119 4.272 . 0 0 "[ . 1 . 2]" 1
2371 2 39 LEU HB3 2 41 GLU H 2.850 . 3.865 3.072 2.730 3.605 . 0 0 "[ . 1 . 2]" 1
2372 2 39 LEU QD 2 39 LEU HG 1.804 . 2.211 1.892 1.891 1.893 . 0 0 "[ . 1 . 2]" 1
2373 2 39 LEU QD 2 40 ALA H 3.862 . 5.726 3.806 3.651 4.354 . 0 0 "[ . 1 . 2]" 1
2374 2 39 LEU QD 2 40 ALA H 4.496 . 7.022 3.734 3.567 4.240 . 0 0 "[ . 1 . 2]" 1
2375 2 39 LEU QD 2 41 GLU H 4.437 . 4.996 4.094 3.879 4.415 . 0 0 "[ . 1 . 2]" 1
2376 2 39 LEU QD 2 43 ASN QB 3.479 . 4.992 4.409 3.352 8.168 3.176 2 1 "[ + . 1 . 2]" 1
2377 2 39 LEU QD 2 43 ASN QD 2.832 . 3.653 3.028 2.118 7.199 3.546 2 1 "[ + . 1 . 2]" 1
2378 2 39 LEU QD 2 90 LEU QD 2.036 . 2.554 2.213 2.064 2.688 0.134 11 0 "[ . 1 . 2]" 1
2379 2 39 LEU QD 2 91 THR HA 3.498 . 5.028 3.362 3.138 3.658 . 0 0 "[ . 1 . 2]" 1
2380 2 39 LEU QD 2 92 THR H 3.015 . 4.151 3.423 3.065 3.776 . 0 0 "[ . 1 . 2]" 1
2381 2 39 LEU QD 2 92 THR HA 3.602 . 5.224 4.042 3.077 4.730 . 0 0 "[ . 1 . 2]" 1
2382 2 39 LEU QD 2 92 THR HB 2.391 . 3.105 2.547 1.971 3.159 0.054 18 0 "[ . 1 . 2]" 1
2383 2 39 LEU QD 2 97 ALA MB 1.453 . 6.000 2.172 1.848 2.432 . 0 0 "[ . 1 . 2]" 1
2384 2 39 LEU QD 2 98 ALA H 3.441 . 4.921 4.352 4.075 4.623 . 0 0 "[ . 1 . 2]" 1
2385 2 39 LEU QD 2 98 ALA HA 4.504 . 7.040 5.894 5.731 6.139 . 0 0 "[ . 1 . 2]" 1
2386 2 39 LEU HG 2 91 THR HA 3.135 . 4.364 2.622 2.358 2.953 . 0 0 "[ . 1 . 2]" 1
2387 2 39 LEU HG 2 92 THR H 3.199 . 4.478 3.310 2.931 3.695 . 0 0 "[ . 1 . 2]" 1
2388 2 40 ALA H 2 40 ALA HA 2.721 . 3.647 2.783 2.260 2.867 . 0 0 "[ . 1 . 2]" 1
2389 2 40 ALA H 2 40 ALA MB 2.241 . 2.869 2.312 2.228 2.966 0.097 15 0 "[ . 1 . 2]" 1
2390 2 40 ALA H 2 41 GLU H 2.548 . 3.359 2.556 2.374 3.391 0.032 6 0 "[ . 1 . 2]" 1
2391 2 40 ALA H 2 41 GLU HA 4.846 . 7.781 5.162 5.079 5.285 . 0 0 "[ . 1 . 2]" 1
2392 2 40 ALA H 2 41 GLU HB2 3.806 . 5.617 5.066 4.613 6.103 0.486 6 0 "[ . 1 . 2]" 1
2393 2 40 ALA H 2 41 GLU QG 3.288 . 4.639 4.231 3.497 5.188 0.549 6 2 "[ .+ 1 - 2]" 1
2394 2 40 ALA HA 2 40 ALA MB 2.061 . 2.592 2.130 2.123 2.136 . 0 0 "[ . 1 . 2]" 1
2395 2 40 ALA HA 2 41 GLU H 2.941 . 4.022 3.435 3.337 3.530 . 0 0 "[ . 1 . 2]" 1
2396 2 40 ALA MB 2 41 GLU H 2.343 . 3.029 2.766 2.491 3.182 0.153 2 0 "[ . 1 . 2]" 1
2397 2 40 ALA MB 2 41 GLU QG 2.508 . 3.294 2.838 2.470 3.449 0.155 20 0 "[ . 1 . 2]" 1
2398 2 41 GLU H 2 41 GLU HA 2.946 . 4.031 2.935 2.915 2.946 . 0 0 "[ . 1 . 2]" 1
2399 2 41 GLU H 2 41 GLU HB2 2.561 . 3.381 2.712 2.459 3.825 0.444 2 0 "[ . 1 . 2]" 1
2400 2 41 GLU H 2 41 GLU HB3 3.155 . 4.399 3.664 3.105 3.816 . 0 0 "[ . 1 . 2]" 1
2401 2 41 GLU H 2 41 GLU QG 2.458 . 3.213 2.554 1.970 3.097 . 0 0 "[ . 1 . 2]" 1
2402 2 41 GLU H 2 42 VAL H 3.768 . 5.542 4.287 3.968 4.522 . 0 0 "[ . 1 . 2]" 1
2403 2 41 GLU H 2 42 VAL QG 3.320 . 4.698 4.294 3.927 4.633 . 0 0 "[ . 1 . 2]" 1
2404 2 41 GLU HA 2 41 GLU HB3 2.755 . 3.704 2.434 2.347 2.493 . 0 0 "[ . 1 . 2]" 1
2405 2 41 GLU HA 2 41 GLU QG 3.389 . 4.825 2.755 2.422 3.326 . 0 0 "[ . 1 . 2]" 1
2406 2 41 GLU HA 2 42 VAL H 2.760 . 3.712 2.189 2.116 2.361 . 0 0 "[ . 1 . 2]" 1
2407 2 41 GLU HB2 2 42 VAL H 3.972 . 5.944 4.119 3.338 4.329 . 0 0 "[ . 1 . 2]" 1
2408 2 41 GLU HB3 2 41 GLU QG 2.566 . 3.389 2.355 2.257 2.450 . 0 0 "[ . 1 . 2]" 1
2409 2 41 GLU HB3 2 42 VAL H 2.773 . 3.734 3.508 2.684 4.303 0.569 2 1 "[ + . 1 . 2]" 1
2410 2 41 GLU HB3 2 43 ASN H 4.806 . 7.694 5.694 4.714 6.175 . 0 0 "[ . 1 . 2]" 1
2411 2 41 GLU QG 2 42 VAL H 4.846 . 7.781 4.463 4.054 4.899 . 0 0 "[ . 1 . 2]" 1
2412 2 41 GLU QG 2 42 VAL QG 3.944 . 5.889 4.901 4.574 5.169 . 0 0 "[ . 1 . 2]" 1
2413 2 41 GLU QG 2 49 PHE H 7.062 . 13.296 5.827 4.824 6.636 . 0 0 "[ . 1 . 2]" 1
2414 2 41 GLU QG 2 50 ARG HA 3.909 . 5.819 3.980 2.146 5.595 . 0 0 "[ . 1 . 2]" 1
2415 2 41 GLU QG 2 50 ARG QD 4.309 . 6.630 4.199 2.791 5.679 . 0 0 "[ . 1 . 2]" 1
2416 2 42 VAL H 2 42 VAL HA 2.820 . 3.814 2.916 2.868 2.936 . 0 0 "[ . 1 . 2]" 1
2417 2 42 VAL H 2 42 VAL HB 3.222 . 4.519 3.710 3.542 3.817 . 0 0 "[ . 1 . 2]" 1
2418 2 42 VAL H 2 42 VAL QG 2.644 . 3.518 2.010 1.895 2.472 . 0 0 "[ . 1 . 2]" 1
2419 2 42 VAL H 2 43 ASN H 3.829 . 5.661 4.355 3.602 4.515 . 0 0 "[ . 1 . 2]" 1
2420 2 42 VAL H 2 49 PHE H 3.097 . 4.296 3.048 2.671 5.381 1.085 2 1 "[ + . 1 . 2]" 1
2421 2 42 VAL H 2 49 PHE HA 4.105 . 6.212 4.764 4.406 6.336 0.124 2 0 "[ . 1 . 2]" 1
2422 2 42 VAL H 2 49 PHE HB2 5.111 . 8.376 4.901 3.644 7.095 . 0 0 "[ . 1 . 2]" 1
2423 2 42 VAL H 2 50 ARG HA 4.991 . 8.105 3.427 3.082 3.947 . 0 0 "[ . 1 . 2]" 1
2424 2 42 VAL HA 2 42 VAL HB 2.976 . 4.083 2.441 2.389 2.503 . 0 0 "[ . 1 . 2]" 1
2425 2 42 VAL HA 2 42 VAL QG 2.915 . 3.228 2.306 2.247 2.388 . 0 0 "[ . 1 . 2]" 1
2426 2 42 VAL HA 2 43 ASN H 2.119 . 2.680 2.130 2.067 2.194 . 0 0 "[ . 1 . 2]" 1
2427 2 42 VAL HA 2 90 LEU QD 3.267 . 4.601 2.309 1.826 4.123 0.107 4 0 "[ . 1 . 2]" 1
2428 2 42 VAL HB 2 42 VAL QG 1.813 . 2.224 1.893 1.890 1.895 . 0 0 "[ . 1 . 2]" 1
2429 2 42 VAL HB 2 43 ASN H 4.331 . 6.676 3.363 2.958 4.426 . 0 0 "[ . 1 . 2]" 1
2430 2 42 VAL MG1 2 42 VAL MG2 1.555 . 6.000 2.078 2.070 2.085 . 0 0 "[ . 1 . 2]" 1
2431 2 42 VAL QG 2 43 ASN H 3.161 . 4.410 3.515 3.222 3.694 . 0 0 "[ . 1 . 2]" 1
2432 2 42 VAL QG 2 44 ILE H 3.338 . 4.731 3.840 3.510 4.954 0.223 6 0 "[ . 1 . 2]" 1
2433 2 42 VAL QG 2 44 ILE HB 3.447 . 4.932 4.465 3.754 6.215 1.283 2 1 "[ + . 1 . 2]" 1
2434 2 42 VAL QG 2 49 PHE QD 3.729 . 5.467 3.198 2.203 6.407 0.940 2 1 "[ + . 1 . 2]" 1
2435 2 42 VAL QG 2 49 PHE HE1 4.161 . 6.325 4.274 2.840 7.235 0.910 2 1 "[ + . 1 . 2]" 1
2436 2 42 VAL QG 2 90 LEU QD 3.255 . 4.580 2.641 2.089 3.041 . 0 0 "[ . 1 . 2]" 1
2437 2 42 VAL QG 2 99 TRP HZ2 3.428 . 4.897 3.374 2.690 4.456 . 0 0 "[ . 1 . 2]" 1
2438 2 42 VAL QG 2 99 TRP HZ3 3.071 . 4.250 3.488 2.925 6.522 2.272 7 1 "[ . + 1 . 2]" 1
2439 2 43 ASN H 2 43 ASN QB 2.778 . 3.742 2.565 2.348 2.882 . 0 0 "[ . 1 . 2]" 1
2440 2 43 ASN H 2 43 ASN QD 4.343 . 6.700 2.455 2.149 3.326 . 0 0 "[ . 1 . 2]" 1
2441 2 43 ASN H 2 44 ILE H 4.112 . 6.225 4.170 3.991 4.600 . 0 0 "[ . 1 . 2]" 1
2442 2 43 ASN HA 2 43 ASN QB 3.040 . 4.195 2.325 2.182 2.416 . 0 0 "[ . 1 . 2]" 1
2443 2 43 ASN HA 2 43 ASN QD 4.730 . 7.012 3.738 3.531 3.950 . 0 0 "[ . 1 . 2]" 1
2444 2 43 ASN HA 2 44 ILE H 2.225 . 2.844 2.174 2.096 2.298 . 0 0 "[ . 1 . 2]" 1
2445 2 43 ASN HA 2 44 ILE MG 5.027 . 8.186 5.429 3.878 5.546 . 0 0 "[ . 1 . 2]" 1
2446 2 43 ASN HA 2 47 SER H 3.875 . 5.752 4.751 3.791 7.180 1.428 2 2 "[ + .- 1 . 2]" 1
2447 2 43 ASN HA 2 48 VAL MG2 2.749 . 3.693 2.583 2.023 4.574 0.881 2 1 "[ + . 1 . 2]" 1
2448 2 43 ASN QB 2 43 ASN QD . . 3.561 2.184 2.144 2.210 . 0 0 "[ . 1 . 2]" 1
2449 2 43 ASN QB 2 44 ILE H 4.802 . 6.563 3.558 2.694 3.678 . 0 0 "[ . 1 . 2]" 1
2450 2 43 ASN QB 2 48 VAL MG2 3.430 . 4.901 3.272 1.992 4.256 . 0 0 "[ . 1 . 2]" 1
2451 2 44 ILE H 2 44 ILE HB 2.611 . 3.463 2.665 2.508 3.646 0.183 2 0 "[ . 1 . 2]" 1
2452 2 44 ILE H 2 44 ILE MD 4.025 . 6.050 3.850 3.540 4.442 . 0 0 "[ . 1 . 2]" 1
2453 2 44 ILE H 2 44 ILE HG13 2.830 . 3.831 2.771 2.211 4.511 0.680 6 1 "[ .+ 1 . 2]" 1
2454 2 44 ILE H 2 44 ILE MG 3.849 . 5.700 3.748 1.922 4.061 0.076 6 0 "[ . 1 . 2]" 1
2455 2 44 ILE H 2 47 SER H 2.484 . 3.255 3.663 2.908 6.127 2.872 2 4 "[ + .* - 1 . *]" 1
2456 2 44 ILE H 2 47 SER QB 5.336 . 5.734 4.067 3.230 7.305 1.571 2 2 "[ + .- 1 . 2]" 1
2457 2 44 ILE H 2 48 VAL MG2 3.381 . 4.810 3.777 2.903 4.465 . 0 0 "[ . 1 . 2]" 1
2458 2 44 ILE H 2 49 PHE HA 6.025 . 10.563 7.390 6.747 8.835 . 0 0 "[ . 1 . 2]" 1
2459 2 44 ILE H 2 49 PHE QD 3.597 . 6.000 5.022 4.126 7.743 1.743 6 1 "[ .+ 1 . 2]" 1
2460 2 44 ILE HA 2 44 ILE MD 4.065 . 6.131 3.677 1.978 3.900 0.021 14 0 "[ . 1 . 2]" 1
2461 2 44 ILE HA 2 44 ILE HG12 3.431 . 4.902 2.678 2.561 3.182 . 0 0 "[ . 1 . 2]" 1
2462 2 44 ILE HA 2 44 ILE HG13 2.922 . 3.990 3.108 2.495 3.744 . 0 0 "[ . 1 . 2]" 1
2463 2 44 ILE HA 2 44 ILE MG 2.650 . 3.528 2.419 2.306 3.212 . 0 0 "[ . 1 . 2]" 1
2464 2 44 ILE HB 2 44 ILE MD 2.709 . 3.627 2.496 2.388 3.239 . 0 0 "[ . 1 . 2]" 1
2465 2 44 ILE HB 2 44 ILE HG13 2.568 . 3.393 2.486 2.463 2.512 . 0 0 "[ . 1 . 2]" 1
2466 2 44 ILE HB 2 44 ILE MG 2.060 . 2.590 2.129 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
2467 2 44 ILE HB 2 47 SER QB . . 4.775 3.045 1.922 5.266 0.491 6 0 "[ . 1 . 2]" 1
2468 2 44 ILE HB 2 49 PHE H 3.564 . 6.000 5.774 4.785 6.976 0.976 20 2 "[- . 1 . +]" 1
2469 2 44 ILE HB 2 49 PHE QD 3.435 . 4.910 4.618 3.383 6.656 1.746 6 4 "[- .+ 1 * *]" 1
2470 2 44 ILE HB 2 49 PHE HE1 5.382 . 9.002 4.206 2.600 7.343 . 0 0 "[ . 1 . 2]" 1
2471 2 44 ILE MD 2 44 ILE HG12 2.909 . 3.967 2.121 2.119 2.122 . 0 0 "[ . 1 . 2]" 1
2472 2 44 ILE MD 2 44 ILE HG13 2.494 . 3.271 2.123 2.121 2.124 . 0 0 "[ . 1 . 2]" 1
2473 2 44 ILE MD 2 44 ILE MG 2.169 . 2.757 1.977 1.935 2.033 . 0 0 "[ . 1 . 2]" 1
2474 2 44 ILE MD 2 47 SER H 4.231 . 6.468 5.318 3.918 5.965 . 0 0 "[ . 1 . 2]" 1
2475 2 44 ILE MD 2 49 PHE QD 3.501 . 5.033 3.746 2.441 6.602 1.569 6 1 "[ .+ 1 . 2]" 1
2476 2 44 ILE HG12 2 44 ILE MG 2.092 . 2.639 2.444 2.322 3.204 0.565 19 2 "[ . 1 -. +2]" 1
2477 2 44 ILE MG 2 45 ASN QB 4.096 . 5.067 3.206 2.706 5.447 0.380 6 0 "[ . 1 . 2]" 1
2478 2 44 ILE MG 2 45 ASN HD22 3.862 . 5.726 4.647 2.844 6.583 0.857 7 3 "[ . + 1 *. -]" 1
2479 2 45 ASN H 2 47 SER H 3.360 . 4.771 3.741 2.584 4.933 0.162 2 0 "[ . 1 . 2]" 1
2480 2 45 ASN HA 2 45 ASN QB 4.061 . 5.478 2.395 2.183 2.462 . 0 0 "[ . 1 . 2]" 1
2481 2 45 ASN HA 2 45 ASN HD21 2.538 . 3.343 2.381 1.825 3.716 0.373 10 0 "[ . 1 . 2]" 1
2482 2 45 ASN HA 2 45 ASN HD22 4.668 . 7.391 3.691 3.457 4.910 . 0 0 "[ . 1 . 2]" 1
2483 2 45 ASN HA 2 46 ASN HB3 5.109 . 8.371 5.531 4.518 6.372 . 0 0 "[ . 1 . 2]" 1
2484 2 45 ASN QB 2 45 ASN HD21 3.811 . 4.588 2.681 2.218 2.824 . 0 0 "[ . 1 . 2]" 1
2485 2 45 ASN QB 2 47 SER H 6.574 . 11.976 4.078 3.371 5.674 . 0 0 "[ . 1 . 2]" 1
2486 2 46 ASN H 2 46 ASN HA 2.676 . 3.571 2.558 2.254 2.947 . 0 0 "[ . 1 . 2]" 1
2487 2 46 ASN H 2 46 ASN HD21 4.510 . 7.053 4.494 3.570 5.324 . 0 0 "[ . 1 . 2]" 1
2488 2 46 ASN H 2 47 SER H 3.260 . 4.588 2.513 1.762 3.391 0.170 8 0 "[ . 1 . 2]" 1
2489 2 46 ASN H 2 48 VAL H 4.576 . 7.194 6.172 4.697 6.530 . 0 0 "[ . 1 . 2]" 1
2490 2 46 ASN HA 2 46 ASN HB3 2.870 . 3.899 2.632 2.434 3.036 . 0 0 "[ . 1 . 2]" 1
2491 2 46 ASN HB3 2 47 SER H 5.066 . 8.274 4.006 2.256 4.467 . 0 0 "[ . 1 . 2]" 1
2492 2 47 SER H 2 47 SER HA 2.805 . 3.788 2.911 2.845 2.944 . 0 0 "[ . 1 . 2]" 1
2493 2 47 SER H 2 47 SER QB 3.183 . 3.573 2.644 2.321 3.192 . 0 0 "[ . 1 . 2]" 1
2494 2 47 SER H 2 48 VAL H 3.776 . 5.559 4.185 3.891 4.440 . 0 0 "[ . 1 . 2]" 1
2495 2 47 SER HA 2 47 SER QB 3.542 . 4.514 2.366 2.197 2.418 . 0 0 "[ . 1 . 2]" 1
2496 2 47 SER QB 2 48 VAL H 4.455 . 6.936 3.597 2.586 3.888 . 0 0 "[ . 1 . 2]" 1
2497 2 47 SER QB 2 49 PHE HE1 5.456 . 9.177 3.184 2.063 5.070 . 0 0 "[ . 1 . 2]" 1
2498 2 48 VAL H 2 48 VAL HB 2.432 . 3.171 2.671 2.478 3.247 0.076 6 0 "[ . 1 . 2]" 1
2499 2 48 VAL H 2 48 VAL MG1 2.936 . 4.014 3.766 2.184 3.941 . 0 0 "[ . 1 . 2]" 1
2500 2 48 VAL H 2 48 VAL MG2 2.461 . 3.218 2.585 2.304 3.872 0.654 6 1 "[ .+ 1 . 2]" 1
2501 2 48 VAL HA 2 48 VAL HB 2.885 . 3.925 2.991 2.393 3.026 . 0 0 "[ . 1 . 2]" 1
2502 2 48 VAL HA 2 48 VAL MG1 2.644 . 3.518 2.409 2.322 3.217 . 0 0 "[ . 1 . 2]" 1
2503 2 48 VAL HA 2 48 VAL MG2 2.398 . 3.117 2.439 2.342 2.514 . 0 0 "[ . 1 . 2]" 1
2504 2 48 VAL HB 2 48 VAL MG1 1.707 . 2.071 2.125 2.121 2.127 0.056 4 0 "[ . 1 . 2]" 1
2505 2 48 VAL HB 2 48 VAL MG2 1.736 . 2.113 2.126 2.121 2.129 0.016 5 0 "[ . 1 . 2]" 1
2506 2 49 PHE H 2 49 PHE HA 2.936 . 4.013 2.923 2.861 2.953 . 0 0 "[ . 1 . 2]" 1
2507 2 49 PHE H 2 49 PHE HB3 3.027 . 4.173 3.563 3.093 3.850 . 0 0 "[ . 1 . 2]" 1
2508 2 49 PHE H 2 49 PHE QD 4.137 . 6.276 3.045 2.400 3.494 . 0 0 "[ . 1 . 2]" 1
2509 2 49 PHE H 2 50 ARG H 4.209 . 6.424 4.395 4.276 4.511 . 0 0 "[ . 1 . 2]" 1
2510 2 49 PHE HA 2 49 PHE QD 3.875 . 5.752 3.244 2.609 3.752 . 0 0 "[ . 1 . 2]" 1
2511 2 49 PHE HA 2 49 PHE HE1 6.372 . 11.447 6.015 5.533 6.442 . 0 0 "[ . 1 . 2]" 1
2512 2 49 PHE HA 2 50 ARG HB2 4.729 . 7.525 5.102 4.475 5.794 . 0 0 "[ . 1 . 2]" 1
2513 2 49 PHE HB2 2 49 PHE QD 3.599 . 5.218 2.338 2.289 2.412 . 0 0 "[ . 1 . 2]" 1
2514 2 49 PHE HB2 2 49 PHE HE1 5.395 . 9.033 5.026 4.606 5.440 . 0 0 "[ . 1 . 2]" 1
2515 2 49 PHE HB3 2 49 PHE QD 3.784 . 5.574 2.446 2.366 2.514 . 0 0 "[ . 1 . 2]" 1
2516 2 49 PHE HB3 2 49 PHE HE1 5.044 . 8.225 5.031 4.653 5.407 . 0 0 "[ . 1 . 2]" 1
2517 2 49 PHE QD 2 50 ARG H 4.954 . 8.022 3.608 3.000 4.241 . 0 0 "[ . 1 . 2]" 1
2518 2 50 ARG H 2 50 ARG HB2 2.750 . 3.695 3.081 2.370 3.897 0.202 8 0 "[ . 1 . 2]" 1
2519 2 50 ARG H 2 50 ARG QD 5.100 . 7.622 4.229 3.825 4.831 . 0 0 "[ . 1 . 2]" 1
2520 2 50 ARG H 2 50 ARG QG 2.728 . 3.658 2.579 2.031 4.012 0.354 13 0 "[ . 1 . 2]" 1
2521 2 50 ARG HA 2 50 ARG QG 4.053 . 6.107 2.843 2.325 3.370 . 0 0 "[ . 1 . 2]" 1
2522 2 50 ARG HB2 2 50 ARG QD . . 2.729 2.587 2.274 3.157 0.428 4 0 "[ . 1 . 2]" 1
2523 2 50 ARG HB2 2 50 ARG QG 2.066 . 2.600 2.340 2.280 2.427 . 0 0 "[ . 1 . 2]" 1
2524 2 50 ARG HB2 2 52 TYR HE1 3.223 . 4.521 4.391 2.739 5.407 0.886 7 8 "[ ** . +* 1 * .-* *2]" 1
2525 2 50 ARG QD 2 50 ARG QG 2.473 . 3.096 2.029 1.958 2.089 . 0 0 "[ . 1 . 2]" 1
2526 2 50 ARG QD 2 52 TYR HD1 3.801 . 5.607 4.741 3.458 5.628 0.021 16 0 "[ . 1 . 2]" 1
2527 2 50 ARG QD 2 52 TYR HE1 4.117 . 5.223 3.301 2.394 3.904 . 0 0 "[ . 1 . 2]" 1
2528 2 50 ARG QG 2 52 TYR HA 4.073 . 6.147 5.897 3.758 7.295 1.148 1 4 "[+ . 1* .* - 2]" 1
2529 2 50 ARG QG 2 52 TYR HD1 5.359 . 8.949 5.152 3.515 6.149 . 0 0 "[ . 1 . 2]" 1
2530 2 50 ARG QG 2 52 TYR HE1 4.054 . 6.108 4.280 2.643 4.996 . 0 0 "[ . 1 . 2]" 1
2531 2 51 GLN H 2 51 GLN HE22 4.892 . 7.883 5.515 3.408 6.768 . 0 0 "[ . 1 . 2]" 1
2532 2 51 GLN HA 2 51 GLN HE21 4.565 . 7.170 4.594 3.180 5.919 . 0 0 "[ . 1 . 2]" 1
2533 2 51 GLN HA 2 51 GLN HG3 4.292 . 6.595 3.697 2.477 4.254 . 0 0 "[ . 1 . 2]" 1
2534 2 51 GLN HA 2 52 TYR H 3.252 . 4.574 2.685 2.147 3.580 . 0 0 "[ . 1 . 2]" 1
2535 2 52 TYR H 2 52 TYR HB2 3.509 . 5.048 3.019 2.505 3.715 . 0 0 "[ . 1 . 2]" 1
2536 2 52 TYR H 2 52 TYR HD1 4.410 . 6.841 3.954 2.481 4.801 . 0 0 "[ . 1 . 2]" 1
2537 2 52 TYR H 2 52 TYR HE1 5.265 . 8.731 5.432 4.431 6.204 . 0 0 "[ . 1 . 2]" 1
2538 2 52 TYR HA 2 52 TYR HE1 5.488 . 9.253 4.946 4.511 5.766 . 0 0 "[ . 1 . 2]" 1
2539 2 52 TYR HB2 2 52 TYR HD1 3.424 . 4.890 3.530 2.353 3.754 . 0 0 "[ . 1 . 2]" 1
2540 2 52 TYR HB2 2 52 TYR HE1 3.793 . 5.591 5.341 4.635 5.483 . 0 0 "[ . 1 . 2]" 1
2541 2 52 TYR HB3 2 52 TYR HD1 3.480 . 4.993 2.849 2.479 3.727 . 0 0 "[ . 1 . 2]" 1
2542 2 52 TYR HB3 2 52 TYR HE1 3.806 . 5.617 4.918 4.703 5.462 . 0 0 "[ . 1 . 2]" 1
2543 2 52 TYR HD1 2 53 PHE H 5.323 . 8.865 4.475 3.672 6.031 . 0 0 "[ . 1 . 2]" 1
2544 2 53 PHE H 2 53 PHE HA 2.701 . 3.613 2.930 2.877 2.950 . 0 0 "[ . 1 . 2]" 1
2545 2 53 PHE H 2 53 PHE HB2 2.793 . 3.768 2.600 2.430 2.773 . 0 0 "[ . 1 . 2]" 1
2546 2 53 PHE H 2 53 PHE HB3 3.916 . 5.833 3.726 3.613 3.849 . 0 0 "[ . 1 . 2]" 1
2547 2 53 PHE H 2 53 PHE QD 3.582 . 5.185 2.837 2.259 3.828 . 0 0 "[ . 1 . 2]" 1
2548 2 53 PHE H 2 53 PHE HZ 4.227 . 6.460 6.141 5.744 6.956 0.496 14 0 "[ . 1 . 2]" 1
2549 2 53 PHE HA 2 53 PHE QD 4.731 . 7.529 2.709 2.260 2.963 . 0 0 "[ . 1 . 2]" 1
2550 2 53 PHE HA 2 53 PHE HE1 5.022 . 8.174 4.807 4.511 5.043 . 0 0 "[ . 1 . 2]" 1
2551 2 53 PHE HB2 2 53 PHE QD 4.117 . 6.235 2.319 2.241 2.391 . 0 0 "[ . 1 . 2]" 1
2552 2 53 PHE HB2 2 53 PHE HE1 4.979 . 8.078 5.436 5.396 5.458 . 0 0 "[ . 1 . 2]" 1
2553 2 53 PHE HB3 2 53 PHE HE1 5.145 . 8.454 4.718 4.652 4.844 . 0 0 "[ . 1 . 2]" 1
2554 2 53 PHE QD 2 54 PHE H 5.076 . 8.297 4.122 3.452 4.627 . 0 0 "[ . 1 . 2]" 1
2555 2 53 PHE QD 2 87 VAL HB 3.344 . 4.742 4.518 3.700 6.043 1.301 5 2 "[ + 1 . - 2]" 1
2556 2 53 PHE QD 2 87 VAL QG 2.882 . 3.921 2.672 2.199 3.628 . 0 0 "[ . 1 . 2]" 1
2557 2 53 PHE QD 2 102 ILE MD 3.604 . 5.228 3.712 3.116 4.218 . 0 0 "[ . 1 . 2]" 1
2558 2 53 PHE QD 2 104 ILE MD 4.173 . 6.350 3.202 2.366 4.175 . 0 0 "[ . 1 . 2]" 1
2559 2 53 PHE QD 2 104 ILE MG 3.576 . 5.174 3.109 2.099 3.845 . 0 0 "[ . 1 . 2]" 1
2560 2 54 PHE H 2 54 PHE HB3 3.148 . 4.387 2.663 2.413 3.334 . 0 0 "[ . 1 . 2]" 1
2561 2 54 PHE H 2 104 ILE QG 3.430 . 4.900 5.204 4.225 5.923 1.023 4 5 "[ +* * 1 .- *]" 1
2562 2 54 PHE H 2 104 ILE MG 3.846 . 5.695 4.649 3.958 5.186 . 0 0 "[ . 1 . 2]" 1
2563 2 54 PHE HA 2 54 PHE HE1 5.162 . 8.492 5.952 4.659 6.512 . 0 0 "[ . 1 . 2]" 1
2564 2 54 PHE HA 2 55 GLU H 2.394 . 3.110 2.173 2.117 2.222 . 0 0 "[ . 1 . 2]" 1
2565 2 54 PHE HB3 2 85 THR MG 4.549 . 7.136 5.234 4.601 5.917 . 0 0 "[ . 1 . 2]" 1
2566 2 54 PHE HD1 2 55 GLU H 5.087 . 8.322 5.007 4.243 5.879 . 0 0 "[ . 1 . 2]" 1
2567 2 55 GLU H 2 55 GLU HB2 3.006 . 4.135 2.628 2.471 2.777 . 0 0 "[ . 1 . 2]" 1
2568 2 55 GLU H 2 55 GLU HB3 3.762 . 5.531 3.750 3.664 3.825 . 0 0 "[ . 1 . 2]" 1
2569 2 55 GLU H 2 55 GLU HG2 4.357 . 6.730 3.568 2.771 3.899 . 0 0 "[ . 1 . 2]" 1
2570 2 55 GLU H 2 55 GLU HG3 3.012 . 4.146 2.943 2.701 3.889 . 0 0 "[ . 1 . 2]" 1
2571 2 55 GLU H 2 56 THR H 4.486 . 7.001 4.235 4.118 4.507 . 0 0 "[ . 1 . 2]" 1
2572 2 55 GLU HA 2 55 GLU HB3 2.766 . 3.722 2.452 2.403 2.512 . 0 0 "[ . 1 . 2]" 1
2573 2 55 GLU HA 2 55 GLU HG2 3.704 . 5.419 2.559 2.435 2.929 . 0 0 "[ . 1 . 2]" 1
2574 2 55 GLU HA 2 55 GLU HG3 4.326 . 6.666 3.401 3.216 3.807 . 0 0 "[ . 1 . 2]" 1
2575 2 55 GLU HB2 2 55 GLU HG3 2.972 . 4.076 2.347 2.239 2.430 . 0 0 "[ . 1 . 2]" 1
2576 2 55 GLU HB2 2 56 THR H 4.449 . 6.924 4.261 3.677 4.407 . 0 0 "[ . 1 . 2]" 1
2577 2 55 GLU HG2 2 104 ILE HA 4.563 . 7.166 4.192 3.495 5.483 . 0 0 "[ . 1 . 2]" 1
2578 2 55 GLU HG2 2 104 ILE MD 3.772 . 5.551 3.446 2.603 4.482 . 0 0 "[ . 1 . 2]" 1
2579 2 55 GLU HG2 2 105 ASP H 4.942 . 7.995 3.526 2.720 4.922 . 0 0 "[ . 1 . 2]" 1
2580 2 55 GLU HG3 2 56 THR H 5.538 . 9.372 5.355 4.938 5.740 . 0 0 "[ . 1 . 2]" 1
2581 2 55 GLU HG3 2 104 ILE HA 5.973 . 10.433 5.656 5.038 6.261 . 0 0 "[ . 1 . 2]" 1
2582 2 55 GLU HG3 2 104 ILE MD 4.310 . 6.632 4.404 3.647 5.760 . 0 0 "[ . 1 . 2]" 1
2583 2 55 GLU HG3 2 105 ASP H 4.690 . 7.440 5.038 4.453 5.617 . 0 0 "[ . 1 . 2]" 1
2584 2 56 THR H 2 56 THR HA 2.734 . 3.668 2.932 2.910 2.948 . 0 0 "[ . 1 . 2]" 1
2585 2 56 THR H 2 56 THR HB 3.202 . 4.483 2.617 2.552 2.895 . 0 0 "[ . 1 . 2]" 1
2586 2 56 THR H 2 56 THR MG 4.126 . 6.254 3.840 3.815 3.949 . 0 0 "[ . 1 . 2]" 1
2587 2 56 THR H 2 106 THR HA 3.273 . 4.612 2.987 1.777 3.555 0.157 7 0 "[ . 1 . 2]" 1
2588 2 56 THR H 2 107 ALA H 4.128 . 6.258 4.494 3.823 5.060 . 0 0 "[ . 1 . 2]" 1
2589 2 56 THR HA 2 56 THR MG 2.691 . 3.596 2.359 2.312 2.392 . 0 0 "[ . 1 . 2]" 1
2590 2 56 THR HA 2 57 LYS H 2.412 . 3.139 2.136 2.116 2.180 . 0 0 "[ . 1 . 2]" 1
2591 2 56 THR HB 2 57 LYS HA 4.447 . 6.919 4.872 4.785 4.972 . 0 0 "[ . 1 . 2]" 1
2592 2 56 THR HB 2 105 ASP QB 3.615 . 5.248 4.417 3.578 5.300 0.052 16 0 "[ . 1 . 2]" 1
2593 2 56 THR HB 2 106 THR HA 3.644 . 5.304 3.740 2.503 4.171 . 0 0 "[ . 1 . 2]" 1
2594 2 56 THR HB 2 107 ALA MB 4.593 . 7.230 3.689 3.269 4.413 . 0 0 "[ . 1 . 2]" 1
2595 2 56 THR MG 2 107 ALA H 3.446 . 4.930 4.547 4.061 4.976 0.046 2 0 "[ . 1 . 2]" 1
2596 2 56 THR MG 2 107 ALA HA 2.793 . 3.768 2.484 2.169 3.209 . 0 0 "[ . 1 . 2]" 1
2597 2 56 THR MG 2 108 CYS H 3.137 . 4.367 2.883 2.464 3.532 . 0 0 "[ . 1 . 2]" 1
2598 2 57 LYS H 2 57 LYS HA 2.861 . 3.884 2.940 2.933 2.948 . 0 0 "[ . 1 . 2]" 1
2599 2 57 LYS H 2 57 LYS QB 3.393 . 3.533 2.476 2.368 2.585 . 0 0 "[ . 1 . 2]" 1
2600 2 57 LYS H 2 57 LYS QD 5.133 . 5.868 4.187 3.847 4.783 . 0 0 "[ . 1 . 2]" 1
2601 2 57 LYS H 2 57 LYS HE3 6.301 . 11.263 5.574 4.628 6.273 . 0 0 "[ . 1 . 2]" 1
2602 2 57 LYS H 2 57 LYS HG2 3.757 . 5.522 3.883 3.412 4.491 . 0 0 "[ . 1 . 2]" 1
2603 2 57 LYS H 2 57 LYS HG3 3.187 . 4.457 3.026 2.310 4.614 0.157 15 0 "[ . 1 . 2]" 1
2604 2 57 LYS H 2 58 CYS H 4.272 . 6.553 4.506 4.481 4.525 . 0 0 "[ . 1 . 2]" 1
2605 2 57 LYS HA 2 57 LYS QB 3.204 . 4.487 2.362 2.309 2.395 . 0 0 "[ . 1 . 2]" 1
2606 2 57 LYS HA 2 57 LYS QD 5.715 . 7.843 4.203 4.028 4.275 . 0 0 "[ . 1 . 2]" 1
2607 2 57 LYS HA 2 57 LYS HE2 5.350 . 8.928 4.783 4.148 5.749 . 0 0 "[ . 1 . 2]" 1
2608 2 57 LYS HA 2 57 LYS HE3 4.068 . 6.137 4.639 3.921 5.630 . 0 0 "[ . 1 . 2]" 1
2609 2 57 LYS HA 2 57 LYS HG2 2.455 . 3.209 2.692 2.497 3.163 . 0 0 "[ . 1 . 2]" 1
2610 2 57 LYS HA 2 57 LYS HG3 3.670 . 5.353 3.015 2.484 3.352 . 0 0 "[ . 1 . 2]" 1
2611 2 57 LYS HA 2 58 CYS H 2.111 . 2.668 2.304 2.168 2.505 . 0 0 "[ . 1 . 2]" 1
2612 2 57 LYS QB 2 57 LYS QD . . 2.708 2.267 2.128 2.337 . 0 0 "[ . 1 . 2]" 1
2613 2 57 LYS QB 2 57 LYS HE2 5.251 . 8.698 2.778 1.927 4.001 . 0 0 "[ . 1 . 2]" 1
2614 2 57 LYS QB 2 57 LYS HE3 . . 5.107 2.862 1.893 3.937 0.080 2 0 "[ . 1 . 2]" 1
2615 2 57 LYS QB 2 57 LYS HG2 2.237 . 2.863 2.341 2.290 2.404 . 0 0 "[ . 1 . 2]" 1
2616 2 57 LYS QB 2 57 LYS HG3 3.091 . 3.554 2.346 2.285 2.395 . 0 0 "[ . 1 . 2]" 1
2617 2 57 LYS QB 2 58 CYS H 2.339 . 3.023 2.757 2.236 3.630 0.607 15 4 "[ * -. 1 *+ 2]" 1
2618 2 57 LYS QD 2 57 LYS HE2 1.878 . 2.319 2.288 2.165 2.369 0.050 3 0 "[ . 1 . 2]" 1
2619 2 57 LYS QD 2 57 LYS HG3 2.609 . 2.877 2.239 2.161 2.375 . 0 0 "[ . 1 . 2]" 1
2620 2 57 LYS HE2 2 57 LYS HG2 2.567 . 3.391 3.254 2.532 3.747 0.356 14 0 "[ . 1 . 2]" 1
2621 2 57 LYS HE3 2 57 LYS HG2 2.610 . 3.461 2.991 2.451 4.235 0.774 4 3 "[ +. 1 -* 2]" 1
2622 2 57 LYS HE3 2 57 LYS HG3 3.045 . 4.204 3.471 2.394 3.754 . 0 0 "[ . 1 . 2]" 1
2623 2 57 LYS HG2 2 58 CYS H 2.942 . 4.024 3.898 2.660 4.510 0.486 7 0 "[ . 1 . 2]" 1
2624 2 58 CYS H 2 58 CYS HA 2.375 . 3.080 2.886 2.848 2.937 . 0 0 "[ . 1 . 2]" 1
2625 2 58 CYS H 2 58 CYS HB3 2.920 . 3.986 3.414 2.717 3.661 . 0 0 "[ . 1 . 2]" 1
2626 2 58 CYS H 2 59 ARG H 4.040 . 6.080 4.356 4.095 4.494 . 0 0 "[ . 1 . 2]" 1
2627 2 58 CYS H 2 82 THR H 4.016 . 6.032 5.454 4.848 6.933 0.901 18 2 "[ . 1 . +-2]" 1
2628 2 58 CYS H 2 108 CYS HB2 2.969 . 4.071 3.699 3.421 4.033 . 0 0 "[ . 1 . 2]" 1
2629 2 58 CYS HB2 2 59 ARG HB2 5.170 . 8.511 6.727 6.300 7.136 . 0 0 "[ . 1 . 2]" 1
2630 2 59 ARG H 2 59 ARG HB2 2.415 . 3.144 2.827 2.231 3.760 0.616 8 5 "[ ** . + 1* - 2]" 1
2631 2 59 ARG H 2 59 ARG HB3 3.639 . 5.294 3.326 2.679 3.655 . 0 0 "[ . 1 . 2]" 1
2632 2 59 ARG H 2 59 ARG HD2 4.736 . 7.540 4.507 3.985 4.958 . 0 0 "[ . 1 . 2]" 1
2633 2 59 ARG H 2 59 ARG HD3 4.599 . 7.243 4.363 3.843 4.885 . 0 0 "[ . 1 . 2]" 1
2634 2 59 ARG H 2 59 ARG QG 2.365 . 3.064 2.377 1.994 2.797 . 0 0 "[ . 1 . 2]" 1
2635 2 59 ARG H 2 108 CYS HB2 4.307 . 6.626 4.988 4.519 5.487 . 0 0 "[ . 1 . 2]" 1
2636 2 59 ARG HA 2 59 ARG HB2 2.550 . 3.363 2.822 2.417 3.025 . 0 0 "[ . 1 . 2]" 1
2637 2 59 ARG HA 2 59 ARG HB3 2.779 . 3.744 2.502 2.401 2.638 . 0 0 "[ . 1 . 2]" 1
2638 2 59 ARG HA 2 59 ARG HD2 4.929 . 7.966 4.763 4.619 4.873 . 0 0 "[ . 1 . 2]" 1
2639 2 59 ARG HA 2 59 ARG QG 2.869 . 3.898 2.739 2.320 3.353 . 0 0 "[ . 1 . 2]" 1
2640 2 59 ARG HB2 2 59 ARG HD2 2.159 . 2.741 3.085 2.462 3.721 0.980 14 8 "[* **** 1 +. -*2]" 1
2641 2 59 ARG HB2 2 59 ARG HD3 3.950 . 5.900 2.904 2.454 3.717 . 0 0 "[ . 1 . 2]" 1
2642 2 59 ARG HB3 2 59 ARG HD2 2.999 . 4.123 3.245 2.459 3.712 . 0 0 "[ . 1 . 2]" 1
2643 2 59 ARG HB3 2 59 ARG HD3 3.465 . 4.966 2.979 2.420 3.711 . 0 0 "[ . 1 . 2]" 1
2644 2 59 ARG HB3 2 59 ARG QG 2.456 . 3.210 2.325 2.283 2.367 . 0 0 "[ . 1 . 2]" 1
2645 2 59 ARG HD2 2 59 ARG QG . . 2.694 2.263 2.171 2.354 . 0 0 "[ . 1 . 2]" 1
2646 2 59 ARG HD3 2 59 ARG QG 2.450 . 3.201 2.315 2.167 2.412 . 0 0 "[ . 1 . 2]" 1
2647 2 60 ALA H 2 60 ALA MB 3.412 . 4.867 2.719 2.301 3.011 . 0 0 "[ . 1 . 2]" 1
2648 2 61 SER HB3 2 79 TYR HB2 4.864 . 7.822 5.344 4.056 7.514 . 0 0 "[ . 1 . 2]" 1
2649 2 61 SER HB3 2 79 TYR HB3 5.095 . 8.340 6.272 5.285 7.707 . 0 0 "[ . 1 . 2]" 1
2650 2 62 ASN H 2 62 ASN QB 4.406 . 5.109 2.874 2.452 3.387 . 0 0 "[ . 1 . 2]" 1
2651 2 62 ASN H 2 63 PRO QG 4.723 . 7.511 5.069 4.353 5.999 . 0 0 "[ . 1 . 2]" 1
2652 2 62 ASN H 2 64 VAL QG 4.757 . 7.586 5.972 5.344 6.617 . 0 0 "[ . 1 . 2]" 1
2653 2 62 ASN HA 2 62 ASN QB 3.477 . 4.324 2.404 2.179 2.480 . 0 0 "[ . 1 . 2]" 1
2654 2 62 ASN HA 2 62 ASN QD 4.635 . 7.320 2.419 1.729 3.999 0.221 4 0 "[ . 1 . 2]" 1
2655 2 62 ASN HA 2 63 PRO HB2 6.206 . 11.021 5.398 4.834 5.595 . 0 0 "[ . 1 . 2]" 1
2656 2 62 ASN HA 2 63 PRO HD2 2.604 . 3.452 2.022 1.891 2.306 . 0 0 "[ . 1 . 2]" 1
2657 2 62 ASN HA 2 63 PRO HD3 3.815 . 5.635 2.869 2.283 3.263 . 0 0 "[ . 1 . 2]" 1
2658 2 62 ASN HA 2 63 PRO QG 4.617 . 7.281 3.830 3.751 3.963 . 0 0 "[ . 1 . 2]" 1
2659 2 62 ASN HA 2 64 VAL H 3.982 . 5.964 3.682 3.153 4.911 . 0 0 "[ . 1 . 2]" 1
2660 2 62 ASN HA 2 79 TYR HA 4.806 . 7.694 4.353 3.558 5.553 . 0 0 "[ . 1 . 2]" 1
2661 2 62 ASN QB 2 62 ASN QD . . 3.741 2.432 2.148 2.688 . 0 0 "[ . 1 . 2]" 1
2662 2 62 ASN QB 2 64 VAL H 3.326 . 4.709 3.715 3.303 4.134 . 0 0 "[ . 1 . 2]" 1
2663 2 62 ASN QB 2 65 GLU HA 4.190 . 6.384 4.169 3.270 7.260 0.876 2 1 "[ + . 1 . 2]" 1
2664 2 62 ASN QB 2 65 GLU HG3 5.479 . 9.231 5.760 4.832 6.945 . 0 0 "[ . 1 . 2]" 1
2665 2 62 ASN QD 2 67 GLY H 4.404 . 5.844 3.734 2.953 4.637 . 0 0 "[ . 1 . 2]" 1
2666 2 62 ASN QD 2 111 VAL QG 4.924 . 7.955 5.850 4.853 9.803 1.848 2 2 "[ + . 1 -. 2]" 1
2667 2 63 PRO HA 2 63 PRO HB3 2.935 . 4.012 2.282 2.255 2.309 . 0 0 "[ . 1 . 2]" 1
2668 2 63 PRO HA 2 63 PRO HD2 5.163 . 8.495 4.043 3.827 4.098 . 0 0 "[ . 1 . 2]" 1
2669 2 63 PRO HA 2 63 PRO HD3 3.100 . 4.301 3.375 2.843 3.642 . 0 0 "[ . 1 . 2]" 1
2670 2 63 PRO HA 2 64 VAL H 3.517 . 5.063 3.534 3.468 3.608 . 0 0 "[ . 1 . 2]" 1
2671 2 63 PRO HB2 2 64 VAL H 2.800 . 3.780 3.030 2.153 3.489 . 0 0 "[ . 1 . 2]" 1
2672 2 63 PRO HB3 2 63 PRO HD3 3.806 . 5.617 3.132 2.935 4.048 . 0 0 "[ . 1 . 2]" 1
2673 2 63 PRO HB3 2 63 PRO QG . . 3.291 2.229 2.179 2.254 . 0 0 "[ . 1 . 2]" 1
2674 2 63 PRO HB3 2 64 VAL H 4.349 . 6.713 4.085 3.647 4.276 . 0 0 "[ . 1 . 2]" 1
2675 2 63 PRO HD2 2 63 PRO QG 3.333 . 4.722 2.198 2.187 2.239 . 0 0 "[ . 1 . 2]" 1
2676 2 63 PRO HD2 2 64 VAL QG 4.760 . 7.592 3.833 3.373 5.448 . 0 0 "[ . 1 . 2]" 1
2677 2 63 PRO HD3 2 63 PRO QG 4.193 . 4.397 2.246 2.182 2.262 . 0 0 "[ . 1 . 2]" 1
2678 2 63 PRO HD3 2 64 VAL H 4.213 . 6.432 4.118 3.932 4.749 . 0 0 "[ . 1 . 2]" 1
2679 2 63 PRO QG 2 69 ARG H 3.020 . 4.160 3.310 2.392 8.729 4.569 14 2 "[ - . 1 +. 2]" 1
2680 2 64 VAL H 2 64 VAL HB 2.819 . 3.812 3.711 2.686 3.844 0.032 6 0 "[ . 1 . 2]" 1
2681 2 64 VAL H 2 64 VAL QG 2.068 . 2.602 2.068 1.802 2.673 0.071 14 0 "[ . 1 . 2]" 1
2682 2 64 VAL HA 2 64 VAL HB 2.773 . 3.734 2.513 2.457 3.022 . 0 0 "[ . 1 . 2]" 1
2683 2 64 VAL HA 2 64 VAL QG 2.483 . 3.254 2.274 2.119 2.316 . 0 0 "[ . 1 . 2]" 1
2684 2 64 VAL HA 2 65 GLU H 3.468 . 4.971 2.597 2.338 3.575 . 0 0 "[ . 1 . 2]" 1
2685 2 64 VAL HA 2 65 GLU HB3 5.176 . 8.525 5.260 4.714 5.795 . 0 0 "[ . 1 . 2]" 1
2686 2 64 VAL HB 2 64 VAL QG 1.883 . 2.326 1.894 1.889 1.899 . 0 0 "[ . 1 . 2]" 1
2687 2 64 VAL HB 2 65 GLU H 2.452 . 3.204 2.451 1.921 3.280 0.076 11 0 "[ . 1 . 2]" 1
2688 2 64 VAL HB 2 65 GLU HB3 4.081 . 6.163 4.935 3.922 5.891 . 0 0 "[ . 1 . 2]" 1
2689 2 64 VAL HB 2 66 SER H 3.491 . 5.014 4.030 2.593 5.000 . 0 0 "[ . 1 . 2]" 1
2690 2 64 VAL HB 2 68 CYS H 5.476 . 9.224 6.433 5.710 7.395 . 0 0 "[ . 1 . 2]" 1
2691 2 64 VAL MG1 2 64 VAL MG2 1.602 . 1.923 2.077 2.069 2.082 0.159 14 0 "[ . 1 . 2]" 1
2692 2 64 VAL QG 2 65 GLU H 3.492 . 5.016 2.986 1.624 3.259 0.344 2 0 "[ . 1 . 2]" 1
2693 2 64 VAL QG 2 65 GLU HA 4.540 . 7.116 4.123 3.232 4.293 . 0 0 "[ . 1 . 2]" 1
2694 2 64 VAL QG 2 65 GLU HB3 5.198 . 8.575 4.841 3.447 5.499 . 0 0 "[ . 1 . 2]" 1
2695 2 64 VAL QG 2 66 SER H 3.017 . 4.155 2.784 2.072 4.532 0.377 14 0 "[ . 1 . 2]" 1
2696 2 64 VAL QG 2 66 SER HB2 3.846 . 5.695 3.963 2.322 6.628 0.933 14 1 "[ . 1 +. 2]" 1
2697 2 64 VAL QG 2 67 GLY H 2.178 . 2.771 2.409 1.887 4.758 1.987 2 2 "[ + . 1 -. 2]" 1
2698 2 64 VAL QG 2 67 GLY HA3 4.313 . 6.638 3.859 2.964 5.030 . 0 0 "[ . 1 . 2]" 1
2699 2 64 VAL QG 2 68 CYS H 3.311 . 6.000 3.550 2.913 4.485 . 0 0 "[ . 1 . 2]" 1
2700 2 64 VAL QG 2 68 CYS HB3 4.610 . 7.266 4.630 4.182 6.456 . 0 0 "[ . 1 . 2]" 1
2701 2 64 VAL QG 2 69 ARG H 3.630 . 4.916 3.175 1.763 3.954 0.220 11 0 "[ . 1 . 2]" 1
2702 2 64 VAL QG 2 69 ARG HA 2.568 . 3.393 2.376 1.846 2.768 . 0 0 "[ . 1 . 2]" 1
2703 2 64 VAL QG 2 69 ARG HD3 4.834 . 7.755 4.240 3.249 5.618 . 0 0 "[ . 1 . 2]" 1
2704 2 64 VAL QG 2 69 ARG QG 1.955 . 2.433 2.327 1.845 3.913 1.480 2 2 "[ + . - . 2]" 1
2705 2 64 VAL QG 2 70 GLY H 4.018 . 5.720 3.454 2.768 4.294 . 0 0 "[ . 1 . 2]" 1
2706 2 65 GLU H 2 65 GLU HB3 2.769 . 3.728 2.952 2.524 3.664 . 0 0 "[ . 1 . 2]" 1
2707 2 65 GLU H 2 65 GLU HG3 3.708 . 5.426 3.662 2.312 4.616 . 0 0 "[ . 1 . 2]" 1
2708 2 65 GLU H 2 66 SER H 3.590 . 5.201 3.292 2.501 3.875 . 0 0 "[ . 1 . 2]" 1
2709 2 65 GLU HA 2 65 GLU HB3 2.730 . 3.661 2.725 2.350 3.023 . 0 0 "[ . 1 . 2]" 1
2710 2 65 GLU HA 2 65 GLU HG3 2.929 . 4.001 3.000 2.407 3.848 . 0 0 "[ . 1 . 2]" 1
2711 2 65 GLU HB3 2 65 GLU HG3 2.165 . 2.751 2.924 2.408 3.010 0.259 7 0 "[ . 1 . 2]" 1
2712 2 65 GLU HB3 2 66 SER H 4.537 . 7.110 4.087 2.479 4.453 . 0 0 "[ . 1 . 2]" 1
2713 2 65 GLU HB3 2 66 SER HA 5.166 . 8.502 5.136 4.265 5.905 . 0 0 "[ . 1 . 2]" 1
2714 2 66 SER H 2 66 SER HB2 3.491 . 5.014 3.345 2.586 4.079 . 0 0 "[ . 1 . 2]" 1
2715 2 66 SER H 2 67 GLY H 2.719 . 3.643 2.194 1.540 2.998 0.255 12 0 "[ . 1 . 2]" 1
2716 2 66 SER HA 2 66 SER HB3 2.839 . 3.846 2.609 2.369 3.038 . 0 0 "[ . 1 . 2]" 1
2717 2 66 SER HA 2 67 GLY H 3.435 . 4.909 3.256 2.505 3.557 . 0 0 "[ . 1 . 2]" 1
2718 2 66 SER HB3 2 67 GLY H 4.234 . 6.475 3.887 2.627 4.471 . 0 0 "[ . 1 . 2]" 1
2719 2 67 GLY H 2 67 GLY HA3 2.636 . 3.505 2.828 2.563 2.952 . 0 0 "[ . 1 . 2]" 1
2720 2 67 GLY H 2 68 CYS H 3.339 . 4.732 3.841 2.894 4.363 . 0 0 "[ . 1 . 2]" 1
2721 2 67 GLY HA2 2 68 CYS H 3.472 . 4.979 3.280 2.684 3.520 . 0 0 "[ . 1 . 2]" 1
2722 2 67 GLY HA3 2 68 CYS H 2.510 . 3.297 2.204 2.136 2.448 . 0 0 "[ . 1 . 2]" 1
2723 2 67 GLY HA3 2 79 TYR H 4.909 . 7.921 5.602 3.893 7.523 . 0 0 "[ . 1 . 2]" 1
2724 2 68 CYS H 2 68 CYS HB2 3.031 . 4.179 2.694 2.451 3.795 . 0 0 "[ . 1 . 2]" 1
2725 2 68 CYS H 2 68 CYS HB3 4.159 . 6.321 3.648 2.628 3.856 . 0 0 "[ . 1 . 2]" 1
2726 2 68 CYS H 2 71 ILE HB 3.300 . 4.661 3.064 2.023 5.663 1.002 14 1 "[ . 1 +. 2]" 1
2727 2 68 CYS H 2 71 ILE MD 4.585 . 7.213 4.867 3.791 6.523 . 0 0 "[ . 1 . 2]" 1
2728 2 68 CYS H 2 71 ILE MG 3.485 . 5.003 3.929 3.272 6.343 1.340 14 2 "[ - . 1 +. 2]" 1
2729 2 68 CYS HA 2 69 ARG H 2.997 . 4.120 2.498 2.207 3.449 . 0 0 "[ . 1 . 2]" 1
2730 2 68 CYS HB2 2 112 LEU QD 3.441 . 4.921 4.274 3.499 5.845 0.924 7 3 "[ . + 1 * . -]" 1
2731 2 68 CYS HB3 2 71 ILE MD 4.412 . 6.845 4.541 3.706 5.874 . 0 0 "[ . 1 . 2]" 1
2732 2 68 CYS HB3 2 71 ILE MD 4.280 . 6.570 3.693 3.367 3.986 . 0 0 "[ . 1 . 2]" 1
2733 2 69 ARG H 2 69 ARG HB2 3.690 . 5.392 2.656 2.209 3.662 . 0 0 "[ . 1 . 2]" 1
2734 2 69 ARG H 2 69 ARG HB3 2.724 . 3.651 3.530 2.401 4.091 0.440 11 0 "[ . 1 . 2]" 1
2735 2 69 ARG H 2 69 ARG HD2 4.874 . 7.844 4.763 3.901 5.928 . 0 0 "[ . 1 . 2]" 1
2736 2 69 ARG H 2 69 ARG QG 3.538 . 4.672 2.643 2.093 3.978 . 0 0 "[ . 1 . 2]" 1
2737 2 69 ARG HA 2 69 ARG HD3 5.490 . 9.258 4.505 3.270 4.905 . 0 0 "[ . 1 . 2]" 1
2738 2 69 ARG HA 2 69 ARG QG 3.374 . 4.797 2.462 2.374 2.525 . 0 0 "[ . 1 . 2]" 1
2739 2 69 ARG HA 2 70 GLY H 2.623 . 3.483 2.239 2.132 3.559 0.076 11 0 "[ . 1 . 2]" 1
2740 2 69 ARG HB2 2 69 ARG HD2 3.012 . 4.146 3.106 2.452 4.223 0.077 18 0 "[ . 1 . 2]" 1
2741 2 69 ARG HB2 2 69 ARG HD3 4.223 . 6.453 3.078 2.471 3.718 . 0 0 "[ . 1 . 2]" 1
2742 2 69 ARG HB2 2 69 ARG QG 2.731 . 3.664 2.322 2.162 2.511 . 0 0 "[ . 1 . 2]" 1
2743 2 69 ARG HB3 2 69 ARG HD2 2.221 . 2.838 3.156 2.448 3.706 0.868 11 8 "[ . ** 1+* . *-**]" 1
2744 2 69 ARG HB3 2 69 ARG HD3 4.095 . 6.191 2.943 2.436 3.939 . 0 0 "[ . 1 . 2]" 1
2745 2 69 ARG HD2 2 69 ARG QG . . 3.064 2.285 2.154 2.386 . 0 0 "[ . 1 . 2]" 1
2746 2 69 ARG HD3 2 69 ARG QG 3.091 . 4.286 2.316 2.174 2.459 . 0 0 "[ . 1 . 2]" 1
2747 2 69 ARG QG 2 70 GLY H 4.658 . 7.361 4.045 3.025 4.415 . 0 0 "[ . 1 . 2]" 1
2748 2 70 GLY H 2 71 ILE H 3.009 . 4.140 2.721 2.238 3.256 . 0 0 "[ . 1 . 2]" 1
2749 2 70 GLY HA2 2 71 ILE MD 4.185 . 6.374 5.168 4.824 5.376 . 0 0 "[ . 1 . 2]" 1
2750 2 70 GLY HA3 2 71 ILE H 4.079 . 6.159 2.967 2.723 3.282 . 0 0 "[ . 1 . 2]" 1
2751 2 70 GLY HA3 2 71 ILE HA 5.022 . 8.175 4.358 4.276 4.450 . 0 0 "[ . 1 . 2]" 1
2752 2 70 GLY HA3 2 71 ILE MD 4.942 . 7.995 4.195 3.781 4.458 . 0 0 "[ . 1 . 2]" 1
2753 2 71 ILE H 2 71 ILE HA 2.887 . 3.929 2.844 2.769 2.886 . 0 0 "[ . 1 . 2]" 1
2754 2 71 ILE H 2 71 ILE HB 2.430 . 3.168 2.537 2.424 2.714 . 0 0 "[ . 1 . 2]" 1
2755 2 71 ILE H 2 71 ILE MD 3.037 . 4.190 3.215 2.941 3.522 . 0 0 "[ . 1 . 2]" 1
2756 2 71 ILE H 2 71 ILE HG12 2.021 . 2.532 2.150 1.876 2.386 . 0 0 "[ . 1 . 2]" 1
2757 2 71 ILE H 2 71 ILE MG 3.380 . 4.808 3.767 3.750 3.799 . 0 0 "[ . 1 . 2]" 1
2758 2 71 ILE H 2 72 ASP H 4.276 . 6.562 4.517 4.009 4.606 . 0 0 "[ . 1 . 2]" 1
2759 2 71 ILE HA 2 71 ILE MD 2.354 . 3.047 2.066 1.991 2.293 . 0 0 "[ . 1 . 2]" 1
2760 2 71 ILE HA 2 71 ILE HG12 3.547 . 5.120 3.096 2.961 3.247 . 0 0 "[ . 1 . 2]" 1
2761 2 71 ILE HA 2 71 ILE HG13 3.149 . 4.389 3.747 3.701 3.883 . 0 0 "[ . 1 . 2]" 1
2762 2 71 ILE HA 2 71 ILE MG 2.559 . 3.377 2.393 2.248 2.468 . 0 0 "[ . 1 . 2]" 1
2763 2 71 ILE HA 2 72 ASP H 2.498 . 3.278 2.187 2.124 2.544 . 0 0 "[ . 1 . 2]" 1
2764 2 71 ILE HA 2 112 LEU QD 3.192 . 4.466 4.154 3.859 5.058 0.592 20 1 "[ . 1 . +]" 1
2765 2 71 ILE HB 2 71 ILE MD 3.279 . 4.623 3.238 3.232 3.242 . 0 0 "[ . 1 . 2]" 1
2766 2 71 ILE HB 2 71 ILE HG12 2.584 . 3.419 2.455 2.417 2.495 . 0 0 "[ . 1 . 2]" 1
2767 2 71 ILE HB 2 71 ILE HG13 2.692 . 3.598 2.453 2.418 2.482 . 0 0 "[ . 1 . 2]" 1
2768 2 71 ILE HB 2 71 ILE MG 2.288 . 2.942 2.126 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
2769 2 71 ILE HB 2 112 LEU QD 3.272 . 4.610 3.938 3.629 5.026 0.416 20 0 "[ . 1 . 2]" 1
2770 2 71 ILE MD 2 71 ILE HG12 2.040 . 2.560 2.118 2.116 2.120 . 0 0 "[ . 1 . 2]" 1
2771 2 71 ILE MD 2 71 ILE HG13 2.919 . 3.984 2.121 2.119 2.123 . 0 0 "[ . 1 . 2]" 1
2772 2 71 ILE MD 2 71 ILE MG 2.022 . 2.533 1.982 1.929 2.024 . 0 0 "[ . 1 . 2]" 1
2773 2 71 ILE MD 2 72 ASP H 3.400 . 4.845 3.671 3.495 4.102 . 0 0 "[ . 1 . 2]" 1
2774 2 71 ILE MD 2 72 ASP HB3 5.072 . 8.288 5.743 5.034 6.980 . 0 0 "[ . 1 . 2]" 1
2775 2 71 ILE MD 2 76 TRP QB 3.604 . 5.227 3.972 3.567 4.452 . 0 0 "[ . 1 . 2]" 1
2776 2 71 ILE MD 2 112 LEU QD . . 1.993 2.009 1.833 2.475 0.482 20 0 "[ . 1 . 2]" 1
2777 2 71 ILE HG12 2 71 ILE MG 2.902 . 3.955 3.202 3.190 3.208 . 0 0 "[ . 1 . 2]" 1
2778 2 71 ILE HG13 2 71 ILE MG 2.100 . 2.651 2.352 2.308 2.400 . 0 0 "[ . 1 . 2]" 1
2779 2 71 ILE MG 2 72 ASP H 2.504 . 3.288 2.587 1.622 3.562 0.274 19 0 "[ . 1 . 2]" 1
2780 2 71 ILE MG 2 73 SER H 3.227 . 4.529 3.454 1.673 4.395 0.252 15 0 "[ . 1 . 2]" 1
2781 2 71 ILE MG 2 76 TRP H 4.047 . 6.094 4.124 3.657 4.905 . 0 0 "[ . 1 . 2]" 1
2782 2 71 ILE MG 2 76 TRP QB 2.791 . 3.186 2.370 1.991 3.168 . 0 0 "[ . 1 . 2]" 1
2783 2 71 ILE MG 2 76 TRP HE1 4.326 . 6.665 5.450 4.835 6.521 . 0 0 "[ . 1 . 2]" 1
2784 2 71 ILE MG 2 78 SER HB3 3.718 . 5.446 3.407 2.227 3.958 . 0 0 "[ . 1 . 2]" 1
2785 2 72 ASP H 2 72 ASP HB3 2.828 . 3.828 2.760 2.372 4.106 0.278 13 0 "[ . 1 . 2]" 1
2786 2 72 ASP H 2 73 SER H 3.685 . 5.383 3.890 2.649 4.481 . 0 0 "[ . 1 . 2]" 1
2787 2 72 ASP H 2 76 TRP QB 3.151 . 4.392 4.250 2.889 6.119 1.727 19 4 "[ . 1 *.- +*]" 1
2788 2 72 ASP H 2 76 TRP HE1 4.712 . 7.487 6.487 5.332 8.612 1.125 19 3 "[ . 1 .- +*]" 1
2789 2 72 ASP HA 2 73 SER H 2.344 . 3.031 2.390 2.119 3.544 0.513 16 1 "[ . 1 .+ 2]" 1
2790 2 72 ASP HA 2 74 LYS H 3.768 . 5.542 4.154 3.237 6.139 0.597 14 3 "[ - 1 +. *]" 1
2791 2 72 ASP HB3 2 73 SER H 4.658 . 7.370 4.118 2.451 4.470 . 0 0 "[ . 1 . 2]" 1
2792 2 73 SER H 2 73 SER HA 2.695 . 3.603 2.775 2.255 2.939 . 0 0 "[ . 1 . 2]" 1
2793 2 73 SER H 2 73 SER HB2 2.822 . 3.817 3.042 2.427 3.619 . 0 0 "[ . 1 . 2]" 1
2794 2 73 SER H 2 73 SER HB3 3.700 . 5.411 3.192 2.591 4.043 . 0 0 "[ . 1 . 2]" 1
2795 2 73 SER H 2 74 LYS H 2.727 . 3.657 2.984 2.430 4.320 0.663 20 4 "[ * 1 *. -+]" 1
2796 2 73 SER H 2 74 LYS QB 4.846 . 7.781 4.763 4.163 5.865 . 0 0 "[ . 1 . 2]" 1
2797 2 73 SER H 2 75 HIS H 4.007 . 6.014 4.449 3.744 5.181 . 0 0 "[ . 1 . 2]" 1
2798 2 73 SER H 2 76 TRP H 3.970 . 5.940 4.444 3.202 4.910 . 0 0 "[ . 1 . 2]" 1
2799 2 73 SER H 2 76 TRP QB 3.170 . 4.426 4.645 2.849 5.588 1.162 3 11 "[-*+*.** *** . ** 2]" 1
2800 2 73 SER HA 2 74 LYS H 3.308 . 4.676 3.115 2.185 3.583 . 0 0 "[ . 1 . 2]" 1
2801 2 73 SER HA 2 75 HIS H 4.302 . 6.615 4.220 3.447 5.844 . 0 0 "[ . 1 . 2]" 1
2802 2 73 SER HA 2 76 TRP H 3.295 . 4.652 3.703 2.843 5.752 1.100 13 1 "[ . 1 + . 2]" 1
2803 2 73 SER HB3 2 74 LYS H 3.535 . 5.097 3.973 2.763 4.554 . 0 0 "[ . 1 . 2]" 1
2804 2 73 SER HB3 2 76 TRP H 5.058 . 8.256 5.052 2.619 6.081 . 0 0 "[ . 1 . 2]" 1
2805 2 74 LYS H 2 74 LYS HA 2.625 . 3.486 2.896 2.815 2.938 . 0 0 "[ . 1 . 2]" 1
2806 2 74 LYS H 2 74 LYS QB 2.548 . 3.151 2.371 2.209 2.614 . 0 0 "[ . 1 . 2]" 1
2807 2 74 LYS H 2 74 LYS HD2 4.315 . 6.643 5.314 4.694 6.078 . 0 0 "[ . 1 . 2]" 1
2808 2 74 LYS H 2 74 LYS HD3 4.440 . 6.904 5.068 3.733 6.004 . 0 0 "[ . 1 . 2]" 1
2809 2 74 LYS H 2 74 LYS HE2 4.822 . 7.729 4.356 3.799 5.518 . 0 0 "[ . 1 . 2]" 1
2810 2 74 LYS H 2 74 LYS HE3 4.710 . 7.483 4.680 4.067 5.568 . 0 0 "[ . 1 . 2]" 1
2811 2 74 LYS H 2 74 LYS QG 4.175 . 6.000 3.247 2.240 4.032 . 0 0 "[ . 1 . 2]" 1
2812 2 74 LYS H 2 75 HIS H 2.442 . 3.187 2.310 2.022 2.616 . 0 0 "[ . 1 . 2]" 1
2813 2 74 LYS H 2 75 HIS HB2 4.358 . 6.732 4.573 4.277 5.114 . 0 0 "[ . 1 . 2]" 1
2814 2 74 LYS H 2 76 TRP H 3.714 . 5.438 3.531 2.935 4.176 . 0 0 "[ . 1 . 2]" 1
2815 2 74 LYS HA 2 74 LYS HD2 4.173 . 6.350 4.558 4.247 4.846 . 0 0 "[ . 1 . 2]" 1
2816 2 74 LYS HA 2 74 LYS HD3 4.120 . 6.242 4.615 4.160 4.907 . 0 0 "[ . 1 . 2]" 1
2817 2 74 LYS HA 2 74 LYS HE2 5.418 . 9.088 4.908 4.466 5.246 . 0 0 "[ . 1 . 2]" 1
2818 2 74 LYS HA 2 74 LYS HE3 5.634 . 9.602 4.890 4.439 5.291 . 0 0 "[ . 1 . 2]" 1
2819 2 74 LYS HA 2 74 LYS QG 3.007 . 4.137 2.449 2.383 2.522 . 0 0 "[ . 1 . 2]" 1
2820 2 74 LYS HA 2 75 HIS H 3.276 . 4.618 3.477 3.212 3.594 . 0 0 "[ . 1 . 2]" 1
2821 2 74 LYS HA 2 76 TRP H 4.194 . 6.393 4.346 3.584 4.788 . 0 0 "[ . 1 . 2]" 1
2822 2 74 LYS QB 2 74 LYS HD2 . . 3.332 2.731 2.321 3.291 . 0 0 "[ . 1 . 2]" 1
2823 2 74 LYS QB 2 74 LYS HD3 3.195 . 4.471 2.919 2.333 3.301 . 0 0 "[ . 1 . 2]" 1
2824 2 74 LYS QB 2 74 LYS HE2 2.354 . 2.553 2.465 1.955 2.848 0.295 7 0 "[ . 1 . 2]" 1
2825 2 74 LYS QB 2 74 LYS HE3 . . 3.388 2.317 1.965 2.852 0.014 15 0 "[ . 1 . 2]" 1
2826 2 74 LYS QB 2 74 LYS QG 2.476 . 3.242 2.086 2.080 2.089 . 0 0 "[ . 1 . 2]" 1
2827 2 74 LYS QB 2 75 HIS H . . 3.460 2.720 2.251 3.420 . 0 0 "[ . 1 . 2]" 1
2828 2 74 LYS QB 2 76 TRP H 4.450 . 6.926 4.530 4.184 4.859 . 0 0 "[ . 1 . 2]" 1
2829 2 74 LYS HD2 2 74 LYS HE3 2.639 . 3.510 2.430 2.399 2.480 . 0 0 "[ . 1 . 2]" 1
2830 2 74 LYS HD2 2 74 LYS QG 2.248 . 2.880 2.278 2.173 2.355 . 0 0 "[ . 1 . 2]" 1
2831 2 74 LYS HD3 2 74 LYS HE2 2.807 . 3.792 2.454 2.405 2.486 . 0 0 "[ . 1 . 2]" 1
2832 2 74 LYS HD3 2 74 LYS HE3 2.343 . 3.029 3.011 3.009 3.014 . 0 0 "[ . 1 . 2]" 1
2833 2 74 LYS HD3 2 74 LYS QG 2.385 . 3.096 2.240 2.170 2.349 . 0 0 "[ . 1 . 2]" 1
2834 2 74 LYS HE2 2 74 LYS QG 3.701 . 4.093 2.647 2.410 2.999 . 0 0 "[ . 1 . 2]" 1
2835 2 74 LYS HE3 2 74 LYS QG . . 2.688 2.764 2.436 2.984 0.296 11 0 "[ . 1 . 2]" 1
2836 2 74 LYS QG 2 75 HIS H 4.605 . 6.010 3.945 3.505 4.346 . 0 0 "[ . 1 . 2]" 1
2837 2 74 LYS QG 2 75 HIS HD2 5.979 . 10.447 5.297 3.700 8.674 . 0 0 "[ . 1 . 2]" 1
2838 2 75 HIS H 2 75 HIS HA 2.948 . 4.034 2.926 2.876 2.950 . 0 0 "[ . 1 . 2]" 1
2839 2 75 HIS H 2 75 HIS HB2 2.635 . 3.503 2.526 2.342 2.998 . 0 0 "[ . 1 . 2]" 1
2840 2 75 HIS H 2 75 HIS HB3 3.267 . 4.601 3.434 2.456 3.716 . 0 0 "[ . 1 . 2]" 1
2841 2 75 HIS H 2 76 TRP H 2.176 . 2.768 2.204 1.879 2.365 . 0 0 "[ . 1 . 2]" 1
2842 2 75 HIS H 2 115 LYS QB 5.593 . 8.617 6.733 5.487 8.190 . 0 0 "[ . 1 . 2]" 1
2843 2 75 HIS HA 2 75 HIS HD2 3.685 . 5.382 3.550 2.664 4.258 . 0 0 "[ . 1 . 2]" 1
2844 2 75 HIS HA 2 76 TRP H 3.481 . 4.996 3.414 3.074 3.512 . 0 0 "[ . 1 . 2]" 1
2845 2 75 HIS HA 2 114 ARG HD3 5.476 . 9.225 6.250 4.245 8.297 . 0 0 "[ . 1 . 2]" 1
2846 2 75 HIS HA 2 115 LYS QB 4.674 . 7.405 4.852 2.882 5.725 . 0 0 "[ . 1 . 2]" 1
2847 2 75 HIS HB2 2 75 HIS HD2 3.499 . 5.030 3.322 2.774 3.966 . 0 0 "[ . 1 . 2]" 1
2848 2 75 HIS HB2 2 76 TRP HE1 3.487 . 5.007 4.476 3.573 5.841 0.834 11 2 "[ . 1+ . -2]" 1
2849 2 75 HIS HB3 2 75 HIS HD2 3.532 . 5.092 3.505 2.763 3.976 . 0 0 "[ . 1 . 2]" 1
2850 2 75 HIS HB3 2 76 TRP H 4.259 . 6.527 3.770 2.898 4.342 . 0 0 "[ . 1 . 2]" 1
2851 2 76 TRP H 2 76 TRP HA 2.924 . 3.993 2.938 2.920 2.945 . 0 0 "[ . 1 . 2]" 1
2852 2 76 TRP H 2 76 TRP QB 2.778 . 3.743 2.605 2.498 2.747 . 0 0 "[ . 1 . 2]" 1
2853 2 76 TRP H 2 76 TRP HE1 4.909 . 7.922 5.690 5.260 6.455 . 0 0 "[ . 1 . 2]" 1
2854 2 76 TRP H 2 77 ASN H 4.005 . 6.010 4.312 4.047 4.455 . 0 0 "[ . 1 . 2]" 1
2855 2 76 TRP H 2 112 LEU QD 4.305 . 6.621 4.996 4.680 5.428 . 0 0 "[ . 1 . 2]" 1
2856 2 76 TRP H 2 115 LYS QB 4.040 . 6.080 5.999 4.760 7.370 1.290 15 5 "[ *. 1 +*- *2]" 1
2857 2 76 TRP H 2 115 LYS QD 3.041 . 4.197 4.225 2.903 7.490 3.293 15 6 "[- *. 1 +** *2]" 1
2858 2 76 TRP H 2 115 LYS QG 3.131 . 4.356 4.535 3.726 6.216 1.860 15 5 "[ *. 1 +** -2]" 1
2859 2 76 TRP HA 2 76 TRP QB 3.749 . 5.126 2.393 2.359 2.430 . 0 0 "[ . 1 . 2]" 1
2860 2 76 TRP HA 2 77 ASN H 2.347 . 3.036 2.179 2.112 2.269 . 0 0 "[ . 1 . 2]" 1
2861 2 76 TRP HA 2 112 LEU QD 4.995 . 6.369 4.160 3.815 4.338 . 0 0 "[ . 1 . 2]" 1
2862 2 76 TRP HA 2 114 ARG HA 4.258 . 6.525 3.250 2.755 3.972 . 0 0 "[ . 1 . 2]" 1
2863 2 76 TRP HA 2 115 LYS H 3.972 . 5.944 4.359 3.445 4.903 . 0 0 "[ . 1 . 2]" 1
2864 2 76 TRP HA 2 115 LYS QG 3.275 . 4.616 3.393 2.624 5.516 0.900 15 1 "[ . 1 + 2]" 1
2865 2 76 TRP QB 2 76 TRP HE3 3.336 . 4.727 2.758 2.442 2.975 . 0 0 "[ . 1 . 2]" 1
2866 2 76 TRP QB 2 77 ASN H 4.128 . 6.258 3.053 2.587 3.484 . 0 0 "[ . 1 . 2]" 1
2867 2 76 TRP QB 2 112 LEU QD 3.108 . 3.387 2.151 2.004 2.346 . 0 0 "[ . 1 . 2]" 1
2868 2 76 TRP HD1 2 112 LEU QD 4.668 . 5.246 3.697 3.063 4.122 . 0 0 "[ . 1 . 2]" 1
2869 2 76 TRP HE1 2 112 LEU QD 3.158 . 4.404 3.992 3.571 4.352 . 0 0 "[ . 1 . 2]" 1
2870 2 76 TRP HE1 2 113 SER H 4.970 . 8.057 7.765 5.962 8.242 0.185 2 0 "[ . 1 . 2]" 1
2871 2 76 TRP HE3 2 112 LEU QD 5.161 . 5.448 3.431 3.080 3.974 . 0 0 "[ . 1 . 2]" 1
2872 2 76 TRP HZ2 2 112 LEU QD 3.698 . 5.407 4.348 3.870 4.958 . 0 0 "[ . 1 . 2]" 1
2873 2 76 TRP HZ2 2 114 ARG HG3 6.150 . 10.878 7.099 4.678 10.176 . 0 0 "[ . 1 . 2]" 1
2874 2 76 TRP HZ3 2 114 ARG H 3.302 . 4.665 3.867 3.238 8.215 3.550 16 1 "[ . 1 .+ 2]" 1
2875 2 77 ASN H 2 77 ASN HA 2.963 . 4.061 2.935 2.903 2.955 . 0 0 "[ . 1 . 2]" 1
2876 2 77 ASN H 2 77 ASN HB2 2.889 . 3.932 2.964 2.492 3.857 . 0 0 "[ . 1 . 2]" 1
2877 2 77 ASN H 2 77 ASN HB3 2.800 . 3.780 2.636 2.411 3.657 . 0 0 "[ . 1 . 2]" 1
2878 2 77 ASN H 2 77 ASN HD21 4.351 . 6.717 4.613 3.859 4.989 . 0 0 "[ . 1 . 2]" 1
2879 2 77 ASN H 2 78 SER H 3.890 . 5.782 4.467 4.343 4.579 . 0 0 "[ . 1 . 2]" 1
2880 2 77 ASN H 2 112 LEU HB2 4.231 . 6.469 6.052 5.503 6.401 . 0 0 "[ . 1 . 2]" 1
2881 2 77 ASN H 2 112 LEU QD 4.694 . 7.448 4.264 3.723 4.899 . 0 0 "[ . 1 . 2]" 1
2882 2 77 ASN H 2 113 SER H 2.881 . 3.919 2.611 2.387 2.826 . 0 0 "[ . 1 . 2]" 1
2883 2 77 ASN H 2 113 SER HB3 5.246 . 8.686 4.157 3.171 5.338 . 0 0 "[ . 1 . 2]" 1
2884 2 77 ASN H 2 115 LYS QB 4.826 . 7.738 4.398 3.235 4.649 . 0 0 "[ . 1 . 2]" 1
2885 2 77 ASN H 2 114 ARG HA 3.519 . 5.067 3.724 2.534 4.206 . 0 0 "[ . 1 . 2]" 1
2886 2 77 ASN H 2 115 LYS QD 4.437 . 6.898 4.645 3.358 7.845 0.947 15 1 "[ . 1 + 2]" 1
2887 2 77 ASN H 2 115 LYS QG 3.764 . 5.535 3.387 2.521 5.932 0.397 15 0 "[ . 1 . 2]" 1
2888 2 77 ASN HA 2 78 SER H 2.335 . 3.016 2.232 2.196 2.274 . 0 0 "[ . 1 . 2]" 1
2889 2 77 ASN HA 2 78 SER HA 4.438 . 6.900 4.362 4.308 4.394 . 0 0 "[ . 1 . 2]" 1
2890 2 77 ASN HA 2 79 TYR H 5.661 . 9.666 6.248 6.093 6.436 . 0 0 "[ . 1 . 2]" 1
2891 2 77 ASN HA 2 111 VAL QG 4.848 . 7.786 6.599 5.922 7.654 . 0 0 "[ . 1 . 2]" 1
2892 2 77 ASN HA 2 112 LEU QD 3.376 . 4.800 4.732 4.262 5.146 0.346 17 0 "[ . 1 . 2]" 1
2893 2 77 ASN HA 2 113 SER HB3 6.785 . 12.540 5.936 4.574 7.715 . 0 0 "[ . 1 . 2]" 1
2894 2 77 ASN HB2 2 77 ASN HD21 4.085 . 6.170 2.682 2.218 3.467 . 0 0 "[ . 1 . 2]" 1
2895 2 77 ASN HB2 2 78 SER H 3.594 . 5.209 4.084 2.945 4.234 . 0 0 "[ . 1 . 2]" 1
2896 2 77 ASN HB3 2 77 ASN HD21 2.577 . 3.407 3.088 2.200 3.537 0.130 11 0 "[ . 1 . 2]" 1
2897 2 77 ASN HB3 2 77 ASN HD22 3.730 . 5.469 3.876 3.471 4.086 . 0 0 "[ . 1 . 2]" 1
2898 2 77 ASN HD21 2 115 LYS QG 6.635 . 12.138 5.176 3.747 9.132 . 0 0 "[ . 1 . 2]" 1
2899 2 77 ASN HD22 2 115 LYS QG 6.352 . 11.395 6.120 4.680 10.337 . 0 0 "[ . 1 . 2]" 1
2900 2 78 SER H 2 78 SER HB3 3.248 . 4.567 3.408 2.519 3.852 . 0 0 "[ . 1 . 2]" 1
2901 2 78 SER H 2 79 TYR HB3 3.116 . 6.000 5.371 4.635 6.141 0.141 4 0 "[ . 1 . 2]" 1
2902 2 78 SER H 2 112 LEU QD 4.050 . 6.101 4.406 3.854 4.793 . 0 0 "[ . 1 . 2]" 1
2903 2 78 SER HA 2 79 TYR H 2.469 . 3.231 2.217 2.141 2.471 . 0 0 "[ . 1 . 2]" 1
2904 2 78 SER HA 2 112 LEU HA 3.576 . 5.174 2.767 2.219 3.055 . 0 0 "[ . 1 . 2]" 1
2905 2 78 SER HA 2 112 LEU QD 3.490 . 5.012 2.846 2.368 3.263 . 0 0 "[ . 1 . 2]" 1
2906 2 78 SER HA 2 112 LEU HG 4.439 . 6.902 5.018 4.502 5.371 . 0 0 "[ . 1 . 2]" 1
2907 2 78 SER HA 2 113 SER H 3.941 . 5.882 3.701 3.487 3.991 . 0 0 "[ . 1 . 2]" 1
2908 2 78 SER HB2 2 79 TYR H 3.106 . 4.312 3.762 3.132 4.138 . 0 0 "[ . 1 . 2]" 1
2909 2 78 SER HB3 2 79 TYR H 3.370 . 4.790 3.317 2.806 4.244 . 0 0 "[ . 1 . 2]" 1
2910 2 78 SER HB3 2 112 LEU QD 3.671 . 5.355 3.003 2.216 4.352 . 0 0 "[ . 1 . 2]" 1
2911 2 79 TYR H 2 79 TYR HB2 3.820 . 5.644 3.735 3.271 4.070 . 0 0 "[ . 1 . 2]" 1
2912 2 79 TYR H 2 79 TYR HB3 3.566 . 5.156 3.250 2.730 3.568 . 0 0 "[ . 1 . 2]" 1
2913 2 79 TYR H 2 79 TYR HD1 4.210 . 6.425 4.607 4.361 4.981 . 0 0 "[ . 1 . 2]" 1
2914 2 79 TYR H 2 79 TYR HE1 5.215 . 8.614 6.252 5.562 7.178 . 0 0 "[ . 1 . 2]" 1
2915 2 79 TYR H 2 80 CYS HA 3.783 . 5.572 4.564 4.426 4.745 . 0 0 "[ . 1 . 2]" 1
2916 2 79 TYR H 2 111 VAL H 2.907 . 3.963 2.917 2.679 3.080 . 0 0 "[ . 1 . 2]" 1
2917 2 79 TYR H 2 111 VAL HB 3.419 . 4.880 4.974 4.604 5.336 0.456 11 0 "[ . 1 . 2]" 1
2918 2 79 TYR H 2 111 VAL QG 2.655 . 3.536 2.568 2.081 3.075 . 0 0 "[ . 1 . 2]" 1
2919 2 79 TYR H 2 112 LEU QD 4.019 . 6.038 4.092 3.627 4.566 . 0 0 "[ . 1 . 2]" 1
2920 2 79 TYR HA 2 79 TYR HD1 3.723 . 5.455 4.301 4.103 4.472 . 0 0 "[ . 1 . 2]" 1
2921 2 79 TYR HA 2 80 CYS H 2.710 . 3.628 2.285 2.157 2.551 . 0 0 "[ . 1 . 2]" 1
2922 2 79 TYR HA 2 111 VAL H 3.986 . 5.972 4.808 4.704 4.927 . 0 0 "[ . 1 . 2]" 1
2923 2 79 TYR HB2 2 79 TYR HD1 3.499 . 5.029 2.884 2.331 3.644 . 0 0 "[ . 1 . 2]" 1
2924 2 79 TYR HB2 2 79 TYR HE1 5.149 . 8.463 4.948 4.628 5.404 . 0 0 "[ . 1 . 2]" 1
2925 2 79 TYR HB3 2 79 TYR HD1 3.522 . 5.073 3.132 2.319 3.709 . 0 0 "[ . 1 . 2]" 1
2926 2 79 TYR HB3 2 79 TYR HE1 5.240 . 8.672 5.103 4.618 5.450 . 0 0 "[ . 1 . 2]" 1
2927 2 79 TYR HB3 2 80 CYS H 4.426 . 6.875 3.936 3.618 4.178 . 0 0 "[ . 1 . 2]" 1
2928 2 79 TYR HD1 2 81 THR H 5.242 . 8.676 4.635 4.076 5.121 . 0 0 "[ . 1 . 2]" 1
2929 2 79 TYR HD1 2 81 THR HB 3.533 . 5.093 4.427 3.034 5.169 0.076 8 0 "[ . 1 . 2]" 1
2930 2 79 TYR HD1 2 111 VAL QG 3.744 . 5.413 3.002 2.177 3.385 . 0 0 "[ . 1 . 2]" 1
2931 2 79 TYR HE1 2 81 THR HB 3.769 . 5.545 4.466 2.091 5.403 . 0 0 "[ . 1 . 2]" 1
2932 2 79 TYR HE1 2 81 THR MG 3.595 . 5.210 3.576 2.813 4.113 . 0 0 "[ . 1 . 2]" 1
2933 2 79 TYR HE1 2 111 VAL QG 3.108 . 4.315 3.485 2.605 4.875 0.560 6 1 "[ .+ 1 . 2]" 1
2934 2 80 CYS H 2 80 CYS HB2 2.827 . 3.826 2.544 2.454 2.669 . 0 0 "[ . 1 . 2]" 1
2935 2 80 CYS H 2 81 THR H 4.623 . 7.294 4.455 4.358 4.509 . 0 0 "[ . 1 . 2]" 1
2936 2 80 CYS H 2 110 CYS HA 4.599 . 7.243 4.582 4.260 4.944 . 0 0 "[ . 1 . 2]" 1
2937 2 80 CYS HA 2 81 THR H 2.457 . 3.212 2.140 2.112 2.202 . 0 0 "[ . 1 . 2]" 1
2938 2 80 CYS HA 2 109 VAL H 3.826 . 5.655 4.483 4.179 4.791 . 0 0 "[ . 1 . 2]" 1
2939 2 80 CYS HA 2 109 VAL QG 3.870 . 5.742 4.128 3.869 4.376 . 0 0 "[ . 1 . 2]" 1
2940 2 80 CYS HA 2 110 CYS HA 3.380 . 4.808 2.413 2.159 2.703 . 0 0 "[ . 1 . 2]" 1
2941 2 80 CYS HA 2 111 VAL H 3.314 . 4.687 3.380 3.036 3.687 . 0 0 "[ . 1 . 2]" 1
2942 2 80 CYS HB3 2 81 THR H 3.751 . 5.510 3.332 2.944 3.606 . 0 0 "[ . 1 . 2]" 1
2943 2 80 CYS HB3 2 109 VAL H 3.557 . 5.139 4.603 4.159 4.965 . 0 0 "[ . 1 . 2]" 1
2944 2 81 THR H 2 81 THR HB 3.737 . 5.483 2.810 2.641 3.424 . 0 0 "[ . 1 . 2]" 1
2945 2 81 THR H 2 81 THR MG 2.590 . 6.000 3.660 2.317 3.931 . 0 0 "[ . 1 . 2]" 1
2946 2 81 THR H 2 82 THR H 4.580 . 7.202 4.346 4.280 4.438 . 0 0 "[ . 1 . 2]" 1
2947 2 81 THR H 2 109 VAL H 2.765 . 3.720 3.030 2.874 3.171 . 0 0 "[ . 1 . 2]" 1
2948 2 81 THR H 2 109 VAL QG . . 3.296 2.912 2.683 3.145 . 0 0 "[ . 1 . 2]" 1
2949 2 81 THR H 2 110 CYS HA 4.499 . 7.029 3.547 3.111 4.007 . 0 0 "[ . 1 . 2]" 1
2950 2 81 THR H 2 111 VAL H 4.013 . 6.026 3.910 3.552 4.331 . 0 0 "[ . 1 . 2]" 1
2951 2 81 THR H 2 111 VAL QG 3.221 . 4.518 3.290 3.026 3.628 . 0 0 "[ . 1 . 2]" 1
2952 2 81 THR HA 2 81 THR MG 3.348 . 4.749 2.503 2.329 3.221 . 0 0 "[ . 1 . 2]" 1
2953 2 81 THR HA 2 82 THR H 2.603 . 3.450 2.208 2.165 2.285 . 0 0 "[ . 1 . 2]" 1
2954 2 81 THR HA 2 82 THR HB 5.157 . 8.481 5.507 4.668 5.734 . 0 0 "[ . 1 . 2]" 1
2955 2 81 THR HA 2 109 VAL H 4.372 . 6.761 4.731 4.594 4.874 . 0 0 "[ . 1 . 2]" 1
2956 2 81 THR HB 2 81 THR MG 2.224 . 2.842 2.135 2.130 2.138 . 0 0 "[ . 1 . 2]" 1
2957 2 81 THR HB 2 82 THR H 4.112 . 6.226 4.084 3.990 4.143 . 0 0 "[ . 1 . 2]" 1
2958 2 81 THR HB 2 109 VAL QG 2.345 . 6.000 2.888 2.164 4.335 . 0 0 "[ . 1 . 2]" 1
2959 2 81 THR MG 2 82 THR H 2.971 . 4.074 2.770 2.476 3.883 . 0 0 "[ . 1 . 2]" 1
2960 2 82 THR H 2 82 THR HB 3.052 . 4.216 3.385 2.604 3.617 . 0 0 "[ . 1 . 2]" 1
2961 2 82 THR H 2 82 THR MG 2.894 . 3.941 2.840 1.979 3.802 . 0 0 "[ . 1 . 2]" 1
2962 2 82 THR H 2 83 THR H 4.365 . 6.746 4.482 4.236 4.567 . 0 0 "[ . 1 . 2]" 1
2963 2 82 THR H 2 109 VAL QG 3.835 . 5.673 4.638 4.418 4.783 . 0 0 "[ . 1 . 2]" 1
2964 2 82 THR HA 2 82 THR MG 2.450 . 3.201 2.300 2.178 3.214 0.013 3 0 "[ . 1 . 2]" 1
2965 2 82 THR HA 2 83 THR H 2.569 . 3.394 2.150 2.110 2.200 . 0 0 "[ . 1 . 2]" 1
2966 2 82 THR HA 2 108 CYS HA 3.174 . 4.433 2.107 1.895 2.549 0.020 18 0 "[ . 1 . 2]" 1
2967 2 82 THR HA 2 109 VAL QG 4.260 . 6.528 3.690 3.459 3.971 . 0 0 "[ . 1 . 2]" 1
2968 2 82 THR HB 2 82 THR MG 2.218 . 2.833 2.131 2.127 2.135 . 0 0 "[ . 1 . 2]" 1
2969 2 82 THR HB 2 83 THR H 3.630 . 5.277 3.469 2.942 4.223 . 0 0 "[ . 1 . 2]" 1
2970 2 82 THR MG 2 83 THR H 3.370 . 4.790 3.585 2.705 3.972 . 0 0 "[ . 1 . 2]" 1
2971 2 82 THR MG 2 107 ALA H 3.138 . 4.369 4.053 2.911 5.610 1.241 3 1 "[ + . 1 . 2]" 1
2972 2 83 THR H 2 83 THR HB 2.717 . 3.640 2.985 2.455 3.604 . 0 0 "[ . 1 . 2]" 1
2973 2 83 THR H 2 83 THR MG 2.759 . 3.711 2.961 1.979 3.817 0.106 17 0 "[ . 1 . 2]" 1
2974 2 83 THR H 2 107 ALA H 2.875 . 3.908 2.961 2.612 3.259 . 0 0 "[ . 1 . 2]" 1
2975 2 83 THR H 2 108 CYS HA 3.859 . 5.720 3.294 3.004 3.590 . 0 0 "[ . 1 . 2]" 1
2976 2 83 THR H 2 109 VAL H 4.286 . 6.583 3.792 3.529 4.149 . 0 0 "[ . 1 . 2]" 1
2977 2 83 THR H 2 109 VAL QG 2.996 . 4.118 3.277 2.958 3.506 . 0 0 "[ . 1 . 2]" 1
2978 2 83 THR HA 2 83 THR MG 2.706 . 3.621 2.532 2.243 3.224 . 0 0 "[ . 1 . 2]" 1
2979 2 83 THR HA 2 84 HIS H 2.616 . 3.472 2.241 2.140 2.518 . 0 0 "[ . 1 . 2]" 1
2980 2 83 THR HA 2 107 ALA H 3.479 . 4.992 4.980 4.691 5.419 0.427 7 0 "[ . 1 . 2]" 1
2981 2 83 THR HB 2 83 THR MG 2.068 . 2.602 2.134 2.129 2.138 . 0 0 "[ . 1 . 2]" 1
2982 2 83 THR HB 2 84 HIS H 3.107 . 4.314 3.661 2.605 4.121 . 0 0 "[ . 1 . 2]" 1
2983 2 83 THR MG 2 84 HIS H 2.436 . 3.177 3.197 2.342 3.855 0.678 9 6 "[- . +* ** *]" 1
2984 2 83 THR MG 2 84 HIS HA 4.181 . 6.366 4.489 3.621 5.534 . 0 0 "[ . 1 . 2]" 1
2985 2 83 THR MG 2 109 VAL QG 1.679 . 6.000 2.795 1.914 3.915 . 0 0 "[ . 1 . 2]" 1
2986 2 84 HIS H 2 84 HIS HB2 3.237 . 4.547 3.291 2.503 3.870 . 0 0 "[ . 1 . 2]" 1
2987 2 84 HIS H 2 84 HIS HB3 3.947 . 5.895 3.423 2.998 3.797 . 0 0 "[ . 1 . 2]" 1
2988 2 84 HIS H 2 85 THR H 4.384 . 6.786 4.381 4.250 4.477 . 0 0 "[ . 1 . 2]" 1
2989 2 84 HIS H 2 85 THR HB 4.630 . 7.309 5.424 5.155 5.769 . 0 0 "[ . 1 . 2]" 1
2990 2 84 HIS H 2 106 THR H 4.219 . 6.444 4.726 4.440 4.949 . 0 0 "[ . 1 . 2]" 1
2991 2 84 HIS HA 2 84 HIS HD2 4.694 . 7.448 4.236 2.865 4.725 . 0 0 "[ . 1 . 2]" 1
2992 2 84 HIS HA 2 85 THR H 2.639 . 3.510 2.155 2.096 2.229 . 0 0 "[ . 1 . 2]" 1
2993 2 84 HIS HA 2 85 THR MG 4.363 . 6.742 3.901 3.679 4.185 . 0 0 "[ . 1 . 2]" 1
2994 2 84 HIS HA 2 106 THR H 3.390 . 4.826 2.911 2.544 3.527 . 0 0 "[ . 1 . 2]" 1
2995 2 84 HIS HA 2 107 ALA H 4.890 . 7.879 4.814 4.255 5.344 . 0 0 "[ . 1 . 2]" 1
2996 2 84 HIS HB2 2 85 THR H 3.962 . 5.924 3.563 2.745 4.318 . 0 0 "[ . 1 . 2]" 1
2997 2 84 HIS HB2 2 106 THR H 5.128 . 8.415 5.528 4.973 6.177 . 0 0 "[ . 1 . 2]" 1
2998 2 84 HIS HB3 2 85 THR H 2.971 . 4.075 3.748 3.052 4.189 0.114 3 0 "[ . 1 . 2]" 1
2999 2 85 THR H 2 85 THR HB 2.884 . 3.924 2.967 2.789 3.125 . 0 0 "[ . 1 . 2]" 1
3000 2 85 THR H 2 85 THR MG 2.334 . 3.015 2.221 2.090 2.361 . 0 0 "[ . 1 . 2]" 1
3001 2 85 THR H 2 86 PHE H 4.273 . 6.555 4.477 4.406 4.513 . 0 0 "[ . 1 . 2]" 1
3002 2 85 THR H 2 86 PHE HA 4.097 . 6.196 4.873 4.722 4.981 . 0 0 "[ . 1 . 2]" 1
3003 2 85 THR H 2 87 VAL QG 4.584 . 7.211 4.378 4.200 4.666 . 0 0 "[ . 1 . 2]" 1
3004 2 85 THR H 2 104 ILE H 2.944 . 4.027 2.767 2.606 3.003 . 0 0 "[ . 1 . 2]" 1
3005 2 85 THR H 2 104 ILE HA 3.728 . 5.465 4.728 4.643 4.847 . 0 0 "[ . 1 . 2]" 1
3006 2 85 THR H 2 106 THR H 4.146 . 6.295 3.761 3.384 4.125 . 0 0 "[ . 1 . 2]" 1
3007 2 85 THR H 2 106 THR MG 2.898 . 3.948 3.587 2.857 5.164 1.216 20 1 "[ . 1 . +]" 1
3008 2 85 THR HA 2 85 THR HG1 4.493 . 7.016 3.315 3.121 3.544 . 0 0 "[ . 1 . 2]" 1
3009 2 85 THR HA 2 85 THR MG 3.579 . 5.180 3.212 3.196 3.222 . 0 0 "[ . 1 . 2]" 1
3010 2 85 THR HA 2 86 PHE H 3.224 . 4.523 2.469 2.392 2.599 . 0 0 "[ . 1 . 2]" 1
3011 2 85 THR HA 2 86 PHE HA 4.313 . 6.638 4.366 4.324 4.446 . 0 0 "[ . 1 . 2]" 1
3012 2 85 THR HA 2 86 PHE HD1 4.116 . 6.234 5.080 3.508 6.155 . 0 0 "[ . 1 . 2]" 1
3013 2 85 THR HA 2 86 PHE HE1 5.797 . 9.998 5.879 4.506 6.820 . 0 0 "[ . 1 . 2]" 1
3014 2 85 THR HA 2 87 VAL QG 3.366 . 4.782 5.031 4.898 5.232 0.450 6 0 "[ . 1 . 2]" 1
3015 2 85 THR HB 2 85 THR MG 2.224 . 2.842 2.135 2.131 2.139 . 0 0 "[ . 1 . 2]" 1
3016 2 85 THR HB 2 86 PHE H 4.151 . 6.305 3.861 3.683 3.955 . 0 0 "[ . 1 . 2]" 1
3017 2 85 THR HB 2 104 ILE MD 3.921 . 5.843 5.106 4.614 5.546 . 0 0 "[ . 1 . 2]" 1
3018 2 85 THR HB 2 106 THR MG 2.151 . 2.729 2.673 2.119 4.538 1.809 20 1 "[ . 1 . +]" 1
3019 2 85 THR HG1 2 85 THR MG 3.092 . 4.287 2.519 2.183 2.732 . 0 0 "[ . 1 . 2]" 1
3020 2 85 THR HG1 2 86 PHE H 3.307 . 4.674 3.281 2.998 3.468 . 0 0 "[ . 1 . 2]" 1
3021 2 85 THR MG 2 86 PHE H 2.728 . 3.658 3.125 2.925 3.414 . 0 0 "[ . 1 . 2]" 1
3022 2 85 THR MG 2 86 PHE HA 3.690 . 5.392 3.756 3.588 3.898 . 0 0 "[ . 1 . 2]" 1
3023 2 85 THR MG 2 87 VAL HA 2.878 . 6.000 4.417 3.946 5.089 . 0 0 "[ . 1 . 2]" 1
3024 2 85 THR MG 2 87 VAL HB 2.784 . 6.000 4.904 4.632 5.377 . 0 0 "[ . 1 . 2]" 1
3025 2 85 THR MG 2 104 ILE H 2.941 . 4.022 3.118 2.927 3.289 . 0 0 "[ . 1 . 2]" 1
3026 2 85 THR MG 2 106 THR HA 3.511 . 5.052 4.028 3.256 5.330 0.278 7 0 "[ . 1 . 2]" 1
3027 2 85 THR MG 2 106 THR MG 1.852 . 2.281 2.388 1.928 3.115 0.834 20 2 "[ . - 1 . +]" 1
3028 2 86 PHE H 2 86 PHE HB2 4.004 . 6.008 2.575 2.486 2.747 . 0 0 "[ . 1 . 2]" 1
3029 2 86 PHE H 2 86 PHE HB3 3.523 . 5.074 3.731 3.684 3.832 . 0 0 "[ . 1 . 2]" 1
3030 2 86 PHE H 2 86 PHE HD1 4.270 . 6.549 4.216 2.963 5.062 . 0 0 "[ . 1 . 2]" 1
3031 2 86 PHE H 2 87 VAL QG 3.328 . 4.713 3.976 3.762 4.108 . 0 0 "[ . 1 . 2]" 1
3032 2 86 PHE HA 2 86 PHE HD1 3.456 . 4.949 3.248 2.682 4.175 . 0 0 "[ . 1 . 2]" 1
3033 2 86 PHE HA 2 87 VAL H 2.549 . 3.361 2.119 2.100 2.135 . 0 0 "[ . 1 . 2]" 1
3034 2 86 PHE HA 2 87 VAL QG 4.116 . 6.234 3.302 3.271 3.336 . 0 0 "[ . 1 . 2]" 1
3035 2 86 PHE HB2 2 86 PHE HE1 4.996 . 8.116 5.164 4.637 5.454 . 0 0 "[ . 1 . 2]" 1
3036 2 86 PHE HB2 2 87 VAL H 3.487 . 5.007 4.320 4.244 4.400 . 0 0 "[ . 1 . 2]" 1
3037 2 86 PHE HB2 2 87 VAL QG 4.462 . 6.950 4.839 4.751 4.882 . 0 0 "[ . 1 . 2]" 1
3038 2 86 PHE HB3 2 102 ILE H 4.856 . 7.804 3.985 3.837 4.193 . 0 0 "[ . 1 . 2]" 1
3039 2 86 PHE HD1 2 103 ARG HG2 4.825 . 7.736 5.505 4.208 7.819 0.083 6 0 "[ . 1 . 2]" 1
3040 2 86 PHE HE1 2 103 ARG HA 5.295 . 8.800 4.721 3.931 6.011 . 0 0 "[ . 1 . 2]" 1
3041 2 86 PHE HZ 2 103 ARG HB3 2.756 . 3.705 3.636 3.114 4.362 0.657 18 1 "[ . 1 . + 2]" 1
3042 2 87 VAL H 2 87 VAL HB 3.203 . 4.486 3.739 3.714 3.766 . 0 0 "[ . 1 . 2]" 1
3043 2 87 VAL H 2 87 VAL QG 2.686 . 2.996 1.983 1.929 2.035 . 0 0 "[ . 1 . 2]" 1
3044 2 87 VAL H 2 101 PHE HB2 4.800 . 7.679 5.758 5.465 6.047 . 0 0 "[ . 1 . 2]" 1
3045 2 87 VAL H 2 101 PHE HB3 3.856 . 5.715 4.329 3.980 4.631 . 0 0 "[ . 1 . 2]" 1
3046 2 87 VAL H 2 102 ILE H 2.785 . 3.754 2.728 2.545 2.941 . 0 0 "[ . 1 . 2]" 1
3047 2 87 VAL H 2 103 ARG HA 3.736 . 5.480 3.710 3.389 3.919 . 0 0 "[ . 1 . 2]" 1
3048 2 87 VAL HA 2 87 VAL HB 2.763 . 3.717 2.493 2.467 2.514 . 0 0 "[ . 1 . 2]" 1
3049 2 87 VAL HA 2 87 VAL QG 2.475 . 3.240 2.271 2.234 2.307 . 0 0 "[ . 1 . 2]" 1
3050 2 87 VAL HA 2 88 LYS H 2.684 . 3.584 2.235 2.123 2.328 . 0 0 "[ . 1 . 2]" 1
3051 2 87 VAL HB 2 87 VAL QG 1.942 . 2.413 1.894 1.892 1.896 . 0 0 "[ . 1 . 2]" 1
3052 2 87 VAL HB 2 88 LYS H 3.194 . 4.469 2.810 2.537 3.135 . 0 0 "[ . 1 . 2]" 1
3053 2 87 VAL HB 2 102 ILE H 3.859 . 5.721 4.986 4.806 5.108 . 0 0 "[ . 1 . 2]" 1
3054 2 87 VAL HB 2 104 ILE MD 3.166 . 4.419 3.920 3.738 4.178 . 0 0 "[ . 1 . 2]" 1
3055 2 87 VAL MG1 2 87 VAL MG2 1.515 . 6.000 2.079 2.069 2.087 . 0 0 "[ . 1 . 2]" 1
3056 2 87 VAL QG 2 88 LYS H 3.888 . 5.777 3.336 3.213 3.487 . 0 0 "[ . 1 . 2]" 1
3057 2 87 VAL QG 2 102 ILE MD 2.737 . 3.183 2.784 2.568 2.974 . 0 0 "[ . 1 . 2]" 1
3058 2 87 VAL QG 2 104 ILE H 3.113 . 4.324 3.540 3.192 4.007 . 0 0 "[ . 1 . 2]" 1
3059 2 87 VAL QG 2 104 ILE MD 1.653 . 1.994 1.878 1.714 2.074 0.080 2 0 "[ . 1 . 2]" 1
3060 2 88 LYS H 2 88 LYS HB3 3.183 . 4.449 3.122 2.640 3.644 . 0 0 "[ . 1 . 2]" 1
3061 2 88 LYS H 2 88 LYS QD 5.352 . 8.933 3.796 3.272 4.194 . 0 0 "[ . 1 . 2]" 1
3062 2 88 LYS H 2 88 LYS HE3 6.477 . 11.721 5.101 3.640 6.136 . 0 0 "[ . 1 . 2]" 1
3063 2 88 LYS H 2 88 LYS HG2 2.520 . 3.314 2.551 1.705 3.689 0.375 7 0 "[ . 1 . 2]" 1
3064 2 88 LYS H 2 88 LYS HG3 3.274 . 4.614 2.779 2.060 3.896 . 0 0 "[ . 1 . 2]" 1
3065 2 88 LYS H 2 102 ILE H 4.441 . 6.906 4.873 4.635 5.047 . 0 0 "[ . 1 . 2]" 1
3066 2 88 LYS HA 2 88 LYS QD 4.566 . 7.172 4.075 2.034 4.459 . 0 0 "[ . 1 . 2]" 1
3067 2 88 LYS HA 2 88 LYS HG2 4.858 . 7.808 3.346 2.576 3.927 . 0 0 "[ . 1 . 2]" 1
3068 2 88 LYS HA 2 88 LYS HG3 3.455 . 4.947 3.576 2.943 3.972 . 0 0 "[ . 1 . 2]" 1
3069 2 88 LYS HB3 2 88 LYS QD 1.808 . 2.217 2.461 2.144 2.967 0.750 19 2 "[ - . 1 . +2]" 1
3070 2 88 LYS QD 2 88 LYS HG2 2.473 . 3.237 2.324 2.169 2.399 . 0 0 "[ . 1 . 2]" 1
3071 2 88 LYS HE3 2 88 LYS HG3 2.213 . 2.825 3.122 2.396 3.705 0.880 18 8 "[ * -* *1 ***. + 2]" 1
3072 2 89 ALA H 2 89 ALA MB 3.624 . 5.265 2.526 2.414 2.546 . 0 0 "[ . 1 . 2]" 1
3073 2 89 ALA H 2 90 LEU QD 4.509 . 7.051 5.933 5.853 6.118 . 0 0 "[ . 1 . 2]" 1
3074 2 89 ALA HA 2 89 ALA MB 3.276 . 4.617 2.131 2.125 2.138 . 0 0 "[ . 1 . 2]" 1
3075 2 89 ALA MB 2 100 ARG H 3.108 . 4.315 3.796 3.686 3.926 . 0 0 "[ . 1 . 2]" 1
3076 2 90 LEU H 2 90 LEU HA 2.636 . 3.505 2.868 2.850 2.888 . 0 0 "[ . 1 . 2]" 1
3077 2 90 LEU HA 2 90 LEU QD 4.304 . 4.367 2.143 2.034 2.211 . 0 0 "[ . 1 . 2]" 1
3078 2 90 LEU HA 2 90 LEU HG 3.569 . 5.162 2.924 2.849 3.006 . 0 0 "[ . 1 . 2]" 1
3079 2 90 LEU HB3 2 90 LEU QD 3.151 . 4.392 2.209 2.179 2.234 . 0 0 "[ . 1 . 2]" 1
3080 2 90 LEU HB3 2 90 LEU HG 2.736 . 3.672 2.545 2.510 2.585 . 0 0 "[ . 1 . 2]" 1
3081 2 90 LEU MD1 2 90 LEU MD2 2.015 . 2.522 2.081 2.074 2.085 . 0 0 "[ . 1 . 2]" 1
3082 2 90 LEU QD 2 97 ALA MB 2.073 . 2.610 2.119 1.879 2.362 . 0 0 "[ . 1 . 2]" 1
3083 2 90 LEU QD 2 98 ALA H 3.436 . 4.912 3.077 2.949 3.173 . 0 0 "[ . 1 . 2]" 1
3084 2 90 LEU QD 2 99 TRP HD1 3.926 . 5.852 3.224 2.955 4.252 . 0 0 "[ . 1 . 2]" 1
3085 2 90 LEU QD 2 99 TRP HZ2 3.432 . 4.904 3.433 3.070 3.786 . 0 0 "[ . 1 . 2]" 1
3086 2 90 LEU QD 2 100 ARG HG2 4.172 . 6.348 5.153 4.804 6.364 0.016 6 0 "[ . 1 . 2]" 1
3087 2 90 LEU HG 2 97 ALA HA 3.647 . 5.309 3.879 3.549 4.242 . 0 0 "[ . 1 . 2]" 1
3088 2 90 LEU HG 2 99 TRP H 4.010 . 6.020 5.572 5.308 5.822 . 0 0 "[ . 1 . 2]" 1
3089 2 91 THR H 2 91 THR MG 2.618 . 3.474 2.818 2.685 2.973 . 0 0 "[ . 1 . 2]" 1
3090 2 91 THR HA 2 91 THR HB 2.938 . 4.017 2.464 2.413 2.499 . 0 0 "[ . 1 . 2]" 1
3091 2 91 THR HA 2 91 THR MG 2.720 . 3.645 2.386 2.337 2.468 . 0 0 "[ . 1 . 2]" 1
3092 2 91 THR HA 2 92 THR H 2.671 . 3.563 2.357 2.253 2.449 . 0 0 "[ . 1 . 2]" 1
3093 2 91 THR HA 2 97 ALA MB 4.155 . 6.313 4.651 4.039 5.186 . 0 0 "[ . 1 . 2]" 1
3094 2 91 THR HA 2 100 ARG HG2 4.953 . 8.020 5.520 5.234 6.602 . 0 0 "[ . 1 . 2]" 1
3095 2 91 THR HB 2 91 THR MG 1.966 . 2.449 2.136 2.134 2.139 . 0 0 "[ . 1 . 2]" 1
3096 2 91 THR HB 2 92 THR H 2.412 . 3.140 2.600 2.390 2.856 . 0 0 "[ . 1 . 2]" 1
3097 2 91 THR HB 2 92 THR HB 4.529 . 7.093 5.532 5.404 5.700 . 0 0 "[ . 1 . 2]" 1
3098 2 92 THR H 2 92 THR HB 3.175 . 4.435 3.108 2.914 3.294 . 0 0 "[ . 1 . 2]" 1
3099 2 92 THR H 2 92 THR MG 2.303 . 2.966 2.092 1.967 2.239 . 0 0 "[ . 1 . 2]" 1
3100 2 92 THR H 2 93 ASP H 3.840 . 5.683 4.271 4.128 4.381 . 0 0 "[ . 1 . 2]" 1
3101 2 92 THR HA 2 92 THR HB 2.865 . 3.891 2.426 2.386 2.460 . 0 0 "[ . 1 . 2]" 1
3102 2 92 THR HA 2 92 THR MG 3.378 . 4.804 3.220 3.212 3.228 . 0 0 "[ . 1 . 2]" 1
3103 2 92 THR HA 2 93 ASP H 2.482 . 3.252 2.111 2.069 2.196 . 0 0 "[ . 1 . 2]" 1
3104 2 92 THR HA 2 97 ALA HA 2.871 . 3.901 2.433 2.014 2.857 . 0 0 "[ . 1 . 2]" 1
3105 2 92 THR HA 2 97 ALA MB 4.042 . 6.084 3.847 3.305 4.366 . 0 0 "[ . 1 . 2]" 1
3106 2 92 THR HA 2 98 ALA H 3.711 . 5.432 3.277 3.066 3.471 . 0 0 "[ . 1 . 2]" 1
3107 2 92 THR HB 2 92 THR MG 2.023 . 2.535 2.130 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
3108 2 92 THR HB 2 93 ASP H 4.434 . 6.892 4.242 4.087 4.326 . 0 0 "[ . 1 . 2]" 1
3109 2 92 THR HB 2 97 ALA MB 2.952 . 4.041 3.109 2.491 3.944 . 0 0 "[ . 1 . 2]" 1
3110 2 92 THR HB 2 98 ALA HA 5.021 . 8.173 7.242 6.737 8.134 . 0 0 "[ . 1 . 2]" 1
3111 2 92 THR MG 2 93 ASP H 4.108 . 6.217 4.092 3.870 4.227 . 0 0 "[ . 1 . 2]" 1
3112 2 92 THR MG 2 98 ALA H 4.474 . 6.976 5.422 5.181 5.738 . 0 0 "[ . 1 . 2]" 1
3113 2 93 ASP H 2 93 ASP HA 2.954 . 4.045 2.873 2.820 2.941 . 0 0 "[ . 1 . 2]" 1
3114 2 93 ASP H 2 93 ASP HB3 3.605 . 5.229 2.700 2.263 3.602 . 0 0 "[ . 1 . 2]" 1
3115 2 93 ASP H 2 94 GLU H 3.319 . 4.696 2.601 2.074 4.035 . 0 0 "[ . 1 . 2]" 1
3116 2 93 ASP HA 2 94 GLU H 3.603 . 5.226 3.312 2.152 3.556 . 0 0 "[ . 1 . 2]" 1
3117 2 93 ASP HA 2 95 LYS H 4.871 . 7.837 5.812 4.763 6.350 . 0 0 "[ . 1 . 2]" 1
3118 2 93 ASP HB3 2 94 GLU H 4.762 . 7.597 3.578 2.353 4.448 . 0 0 "[ . 1 . 2]" 1
3119 2 94 GLU H 2 94 GLU HB3 3.103 . 4.306 3.433 2.971 4.114 . 0 0 "[ . 1 . 2]" 1
3120 2 94 GLU H 2 94 GLU HG2 4.117 . 6.235 4.156 2.860 5.251 . 0 0 "[ . 1 . 2]" 1
3121 2 94 GLU H 2 94 GLU HG3 5.250 . 8.695 4.431 3.103 5.295 . 0 0 "[ . 1 . 2]" 1
3122 2 94 GLU H 2 95 LYS H 3.414 . 4.871 2.743 1.912 4.017 0.045 2 0 "[ . 1 . 2]" 1
3123 2 94 GLU HA 2 94 GLU HB3 2.792 . 3.766 2.781 2.363 3.029 . 0 0 "[ . 1 . 2]" 1
3124 2 94 GLU HA 2 94 GLU HG2 2.868 . 3.896 3.206 2.430 3.788 . 0 0 "[ . 1 . 2]" 1
3125 2 94 GLU HA 2 94 GLU HG3 3.683 . 5.379 3.285 2.554 3.813 . 0 0 "[ . 1 . 2]" 1
3126 2 94 GLU HA 2 95 LYS H 4.360 . 6.737 3.561 3.516 3.596 . 0 0 "[ . 1 . 2]" 1
3127 2 94 GLU HB3 2 94 GLU HG3 1.867 . 2.303 2.670 2.393 3.006 0.703 10 8 "[ ***. + ** . - *]" 1
3128 2 94 GLU HB3 2 95 LYS H 2.467 . 3.228 2.475 1.837 3.981 0.753 2 3 "[ + . 1 * . - 2]" 1
3129 2 94 GLU HB3 2 95 LYS HG3 4.601 . 7.248 3.470 2.468 4.445 . 0 0 "[ . 1 . 2]" 1
3130 2 94 GLU HG3 2 95 LYS HD3 5.696 . 9.751 6.355 3.646 8.725 . 0 0 "[ . 1 . 2]" 1
3131 2 95 LYS H 2 95 LYS HA 2.803 . 3.785 2.936 2.912 2.950 . 0 0 "[ . 1 . 2]" 1
3132 2 95 LYS H 2 95 LYS HB3 3.195 . 4.471 3.743 3.290 3.883 . 0 0 "[ . 1 . 2]" 1
3133 2 95 LYS H 2 95 LYS HD3 4.691 . 7.441 5.284 4.692 5.564 . 0 0 "[ . 1 . 2]" 1
3134 2 95 LYS H 2 95 LYS HE2 5.529 . 9.350 5.897 4.806 6.478 . 0 0 "[ . 1 . 2]" 1
3135 2 95 LYS H 2 95 LYS HG3 2.905 . 3.960 3.082 2.611 3.394 . 0 0 "[ . 1 . 2]" 1
3136 2 95 LYS H 2 96 GLN H 2.473 . 3.237 2.066 1.795 2.400 . 0 0 "[ . 1 . 2]" 1
3137 2 95 LYS HA 2 95 LYS HB3 2.476 . 3.242 2.484 2.416 2.539 . 0 0 "[ . 1 . 2]" 1
3138 2 95 LYS HA 2 95 LYS HD3 4.405 . 6.830 4.380 4.222 4.774 . 0 0 "[ . 1 . 2]" 1
3139 2 95 LYS HA 2 95 LYS HG3 2.926 . 3.996 3.148 2.934 3.780 . 0 0 "[ . 1 . 2]" 1
3140 2 95 LYS HB2 2 95 LYS HE2 3.549 . 5.124 4.569 4.194 4.857 . 0 0 "[ . 1 . 2]" 1
3141 2 95 LYS HB2 2 95 LYS HG3 2.294 . 2.952 2.435 2.384 2.518 . 0 0 "[ . 1 . 2]" 1
3142 2 95 LYS HB3 2 95 LYS HD3 2.551 . 3.365 2.502 2.417 2.585 . 0 0 "[ . 1 . 2]" 1
3143 2 95 LYS HB3 2 95 LYS HE2 4.907 . 7.917 4.480 4.254 4.857 . 0 0 "[ . 1 . 2]" 1
3144 2 95 LYS HB3 2 95 LYS HG3 2.778 . 3.743 3.008 3.003 3.011 . 0 0 "[ . 1 . 2]" 1
3145 2 95 LYS HD3 2 95 LYS HE2 1.897 . 2.347 2.580 2.355 3.015 0.668 18 5 "[* * .* 1 .- + 2]" 1
3146 2 95 LYS HD3 2 95 LYS HE3 2.475 . 3.241 2.764 2.414 3.015 . 0 0 "[ . 1 . 2]" 1
3147 2 95 LYS HE2 2 95 LYS HG3 2.196 . 2.799 3.036 2.466 3.759 0.960 20 4 "[ * -* 1 . +]" 1
3148 2 95 LYS HE3 2 95 LYS HG3 3.036 . 4.188 2.888 2.435 3.701 . 0 0 "[ . 1 . 2]" 1
3149 2 95 LYS HG3 2 96 GLN H 4.671 . 7.398 4.470 4.089 4.889 . 0 0 "[ . 1 . 2]" 1
3150 2 96 GLN H 2 96 GLN HA 2.808 . 3.794 2.906 2.825 2.945 . 0 0 "[ . 1 . 2]" 1
3151 2 96 GLN H 2 96 GLN HB2 3.299 . 4.659 2.626 2.351 3.292 . 0 0 "[ . 1 . 2]" 1
3152 2 96 GLN H 2 96 GLN HB3 2.477 . 3.244 3.347 2.465 3.807 0.563 11 3 "[* . - 1+ . 2]" 1
3153 2 96 GLN H 2 96 GLN HG3 3.861 . 5.724 4.127 3.617 4.483 . 0 0 "[ . 1 . 2]" 1
3154 2 96 GLN HA 2 96 GLN HE21 2.873 . 3.905 3.153 2.311 4.277 0.372 4 0 "[ . 1 . 2]" 1
3155 2 96 GLN HA 2 96 GLN HE22 3.707 . 5.425 3.719 3.194 5.058 . 0 0 "[ . 1 . 2]" 1
3156 2 96 GLN HA 2 96 GLN HG3 4.464 . 6.955 3.375 2.436 3.785 . 0 0 "[ . 1 . 2]" 1
3157 2 96 GLN HB2 2 96 GLN HE21 4.482 . 6.993 4.198 3.890 4.528 . 0 0 "[ . 1 . 2]" 1
3158 2 96 GLN HB2 2 96 GLN HE22 4.616 . 7.279 4.891 4.346 5.336 . 0 0 "[ . 1 . 2]" 1
3159 2 96 GLN HB2 2 96 GLN HG3 2.252 . 2.886 2.667 2.348 3.010 0.124 6 0 "[ . 1 . 2]" 1
3160 2 96 GLN HB3 2 96 GLN HE21 4.752 . 7.575 4.092 2.875 4.567 . 0 0 "[ . 1 . 2]" 1
3161 2 96 GLN HB3 2 96 GLN HE22 5.073 . 8.290 4.760 3.906 5.356 . 0 0 "[ . 1 . 2]" 1
3162 2 96 GLN HB3 2 96 GLN HG3 2.219 . 2.834 2.461 2.414 2.516 . 0 0 "[ . 1 . 2]" 1
3163 2 96 GLN HE21 2 96 GLN HG3 3.371 . 4.791 2.797 2.201 3.485 . 0 0 "[ . 1 . 2]" 1
3164 2 97 ALA H 2 97 ALA MB 2.847 . 3.860 2.339 2.252 2.481 . 0 0 "[ . 1 . 2]" 1
3165 2 97 ALA HA 2 97 ALA MB 2.263 . 2.903 2.129 2.125 2.134 . 0 0 "[ . 1 . 2]" 1
3166 2 97 ALA HA 2 98 ALA H 2.859 . 3.881 2.160 2.129 2.207 . 0 0 "[ . 1 . 2]" 1
3167 2 97 ALA MB 2 98 ALA H 2.522 . 3.317 3.083 2.892 3.355 0.038 6 0 "[ . 1 . 2]" 1
3168 2 97 ALA MB 2 98 ALA HA 2.742 . 6.000 4.044 3.984 4.118 . 0 0 "[ . 1 . 2]" 1
3169 2 98 ALA H 2 98 ALA HA 2.671 . 3.563 2.924 2.900 2.942 . 0 0 "[ . 1 . 2]" 1
3170 2 98 ALA H 2 98 ALA MB 2.239 . 2.866 2.607 2.525 2.700 . 0 0 "[ . 1 . 2]" 1
3171 2 98 ALA H 2 99 TRP HA 4.257 . 6.522 4.809 4.721 4.882 . 0 0 "[ . 1 . 2]" 1
3172 2 98 ALA HA 2 98 ALA MB 2.396 . 3.113 2.132 2.130 2.135 . 0 0 "[ . 1 . 2]" 1
3173 2 99 TRP H 2 99 TRP HB2 3.315 . 4.689 2.418 2.277 2.513 . 0 0 "[ . 1 . 2]" 1
3174 2 99 TRP H 2 99 TRP HB3 4.182 . 6.368 3.600 3.551 3.623 . 0 0 "[ . 1 . 2]" 1
3175 2 99 TRP HB2 2 99 TRP HD1 3.653 . 5.321 2.745 2.617 3.802 . 0 0 "[ . 1 . 2]" 1
3176 2 100 ARG H 2 100 ARG HA 2.509 . 3.296 2.944 2.931 2.955 . 0 0 "[ . 1 . 2]" 1
3177 2 100 ARG H 2 100 ARG HB2 2.545 . 3.354 2.584 2.472 2.708 . 0 0 "[ . 1 . 2]" 1
3178 2 100 ARG H 2 100 ARG HB3 3.516 . 5.062 3.732 3.665 3.812 . 0 0 "[ . 1 . 2]" 1
3179 2 100 ARG H 2 100 ARG HD2 5.046 . 8.229 4.804 4.089 5.398 . 0 0 "[ . 1 . 2]" 1
3180 2 100 ARG H 2 100 ARG HD3 3.551 . 5.127 4.254 3.817 5.181 0.054 15 0 "[ . 1 . 2]" 1
3181 2 100 ARG H 2 100 ARG HG2 2.360 . 3.056 2.892 2.501 3.970 0.914 6 1 "[ .+ 1 . 2]" 1
3182 2 100 ARG H 2 100 ARG HG3 3.734 . 5.477 4.040 3.076 4.324 . 0 0 "[ . 1 . 2]" 1
3183 2 100 ARG HA 2 100 ARG HD2 4.330 . 6.674 2.904 2.071 4.806 . 0 0 "[ . 1 . 2]" 1
3184 2 100 ARG HA 2 100 ARG HD3 3.040 . 4.195 2.628 1.933 4.663 0.468 6 0 "[ . 1 . 2]" 1
3185 2 100 ARG HA 2 100 ARG HG2 4.001 . 6.002 3.063 2.505 3.190 . 0 0 "[ . 1 . 2]" 1
3186 2 100 ARG HA 2 100 ARG HG3 4.814 . 7.710 3.765 3.197 3.862 . 0 0 "[ . 1 . 2]" 1
3187 2 100 ARG HB2 2 100 ARG HD2 4.333 . 6.680 3.693 3.611 3.775 . 0 0 "[ . 1 . 2]" 1
3188 2 100 ARG HB2 2 100 ARG HD3 3.801 . 5.607 3.795 2.538 4.230 . 0 0 "[ . 1 . 2]" 1
3189 2 100 ARG HB2 2 100 ARG HG2 2.481 . 3.250 2.490 2.421 3.003 . 0 0 "[ . 1 . 2]" 1
3190 2 100 ARG HB2 2 100 ARG HG3 2.114 . 2.673 2.391 2.349 2.438 . 0 0 "[ . 1 . 2]" 1
3191 2 100 ARG HB3 2 100 ARG HD2 2.380 . 3.088 2.639 2.362 3.658 0.570 6 1 "[ .+ 1 . 2]" 1
3192 2 100 ARG HB3 2 100 ARG HD3 3.358 . 4.768 3.213 2.911 3.685 . 0 0 "[ . 1 . 2]" 1
3193 2 100 ARG HB3 2 100 ARG HG3 2.200 . 2.805 2.481 2.413 3.006 0.201 6 0 "[ . 1 . 2]" 1
3194 2 100 ARG HD2 2 100 ARG HG2 2.973 . 4.078 2.868 2.383 3.017 . 0 0 "[ . 1 . 2]" 1
3195 2 100 ARG HD2 2 100 ARG HG3 2.554 . 3.369 2.584 2.417 3.018 . 0 0 "[ . 1 . 2]" 1
3196 2 100 ARG HD3 2 100 ARG HG2 2.427 . 3.163 2.451 2.355 3.012 . 0 0 "[ . 1 . 2]" 1
3197 2 100 ARG HD3 2 100 ARG HG3 2.957 . 4.050 2.868 2.381 3.017 . 0 0 "[ . 1 . 2]" 1
3198 2 101 PHE H 2 101 PHE HB2 3.031 . 4.179 2.523 2.314 2.784 . 0 0 "[ . 1 . 2]" 1
3199 2 101 PHE HA 2 101 PHE HD1 4.396 . 6.811 3.582 2.572 4.431 . 0 0 "[ . 1 . 2]" 1
3200 2 101 PHE HA 2 102 ILE H 2.867 . 3.895 2.158 2.123 2.194 . 0 0 "[ . 1 . 2]" 1
3201 2 101 PHE HA 2 102 ILE MG 3.549 . 5.124 3.850 3.730 3.946 . 0 0 "[ . 1 . 2]" 1
3202 2 101 PHE HB2 2 102 ILE H 4.179 . 6.362 4.394 4.276 4.479 . 0 0 "[ . 1 . 2]" 1
3203 2 102 ILE H 2 102 ILE HB 3.605 . 5.229 3.742 3.721 3.774 . 0 0 "[ . 1 . 2]" 1
3204 2 102 ILE H 2 102 ILE MD 3.923 . 5.847 3.795 3.725 3.875 . 0 0 "[ . 1 . 2]" 1
3205 2 102 ILE H 2 102 ILE HG12 2.410 . 3.136 2.147 2.042 2.268 . 0 0 "[ . 1 . 2]" 1
3206 2 102 ILE H 2 102 ILE HG13 2.995 . 4.116 2.792 2.750 2.844 . 0 0 "[ . 1 . 2]" 1
3207 2 102 ILE H 2 102 ILE MG 2.852 . 3.869 2.850 2.788 2.924 . 0 0 "[ . 1 . 2]" 1
3208 2 102 ILE HA 2 102 ILE MD 4.503 . 7.038 4.190 4.177 4.197 . 0 0 "[ . 1 . 2]" 1
3209 2 102 ILE HA 2 102 ILE HG12 3.915 . 5.831 3.742 3.691 3.778 . 0 0 "[ . 1 . 2]" 1
3210 2 102 ILE HA 2 102 ILE HG13 4.001 . 6.002 3.705 3.675 3.740 . 0 0 "[ . 1 . 2]" 1
3211 2 102 ILE HA 2 102 ILE MG 2.698 . 3.608 2.308 2.282 2.330 . 0 0 "[ . 1 . 2]" 1
3212 2 102 ILE HA 2 103 ARG H 2.808 . 3.793 2.220 2.175 2.282 . 0 0 "[ . 1 . 2]" 1
3213 2 102 ILE HB 2 102 ILE MD 2.423 . 3.157 2.389 2.355 2.420 . 0 0 "[ . 1 . 2]" 1
3214 2 102 ILE HB 2 102 ILE HG13 2.487 . 3.260 2.502 2.469 2.526 . 0 0 "[ . 1 . 2]" 1
3215 2 102 ILE HB 2 102 ILE MG 2.142 . 2.715 2.124 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
3216 2 102 ILE HB 2 103 ARG H 2.723 . 3.650 2.769 2.625 2.839 . 0 0 "[ . 1 . 2]" 1
3217 2 102 ILE MD 2 102 ILE HG12 1.792 . 2.193 2.116 2.113 2.118 . 0 0 "[ . 1 . 2]" 1
3218 2 102 ILE MD 2 102 ILE HG13 1.895 . 2.344 2.119 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
3219 2 102 ILE MD 2 102 ILE MG 1.902 . 2.354 1.978 1.914 2.032 . 0 0 "[ . 1 . 2]" 1
3220 2 102 ILE MD 2 103 ARG H 4.066 . 6.133 4.594 4.466 4.694 . 0 0 "[ . 1 . 2]" 1
3221 2 102 ILE MD 2 104 ILE MD 2.455 . 6.000 4.600 3.500 5.061 . 0 0 "[ . 1 . 2]" 1
3222 2 102 ILE HG12 2 102 ILE MG 2.062 . 2.594 2.359 2.326 2.397 . 0 0 "[ . 1 . 2]" 1
3223 2 102 ILE HG13 2 102 ILE MG 2.616 . 3.472 3.201 3.197 3.204 . 0 0 "[ . 1 . 2]" 1
3224 2 102 ILE MG 2 103 ARG H 3.232 . 4.538 3.668 3.598 3.708 . 0 0 "[ . 1 . 2]" 1
3225 2 103 ARG H 2 103 ARG HB3 2.705 . 3.620 2.747 2.694 2.817 . 0 0 "[ . 1 . 2]" 1
3226 2 103 ARG H 2 103 ARG HD3 4.964 . 8.045 4.377 4.075 4.674 . 0 0 "[ . 1 . 2]" 1
3227 2 103 ARG H 2 103 ARG HG2 2.252 . 2.886 2.245 2.025 3.344 0.458 9 0 "[ . 1 . 2]" 1
3228 2 103 ARG H 2 103 ARG HG3 3.583 . 5.188 2.959 1.876 3.470 0.102 20 0 "[ . 1 . 2]" 1
3229 2 103 ARG H 2 104 ILE QG 3.523 . 6.000 5.727 5.523 6.318 0.318 19 0 "[ . 1 . 2]" 1
3230 2 103 ARG HA 2 103 ARG HD2 5.069 . 8.281 4.830 3.905 5.545 . 0 0 "[ . 1 . 2]" 1
3231 2 103 ARG HB2 2 103 ARG HD2 2.839 . 3.846 2.747 2.385 3.732 . 0 0 "[ . 1 . 2]" 1
3232 2 103 ARG HB2 2 103 ARG HD3 3.474 . 4.983 3.011 2.399 3.652 . 0 0 "[ . 1 . 2]" 1
3233 2 103 ARG HB2 2 103 ARG HG2 2.913 . 3.974 2.957 2.586 3.010 . 0 0 "[ . 1 . 2]" 1
3234 2 103 ARG HB2 2 103 ARG HG3 1.958 . 2.437 2.527 2.340 2.988 0.551 20 2 "[ . -1 . +]" 1
3235 2 103 ARG HB3 2 103 ARG HD2 2.901 . 3.953 3.176 2.545 3.766 . 0 0 "[ . 1 . 2]" 1
3236 2 103 ARG HB3 2 103 ARG HD3 3.141 . 4.374 2.965 2.547 3.869 . 0 0 "[ . 1 . 2]" 1
3237 2 103 ARG HB3 2 103 ARG HG2 2.208 . 2.818 2.404 2.256 2.553 . 0 0 "[ . 1 . 2]" 1
3238 2 103 ARG HB3 2 103 ARG HG3 2.607 . 3.457 2.961 2.601 3.012 . 0 0 "[ . 1 . 2]" 1
3239 2 103 ARG HD3 2 103 ARG HG2 2.585 . 3.420 2.526 2.354 3.015 . 0 0 "[ . 1 . 2]" 1
3240 2 103 ARG HD3 2 103 ARG HG3 2.985 . 4.099 2.816 2.470 3.021 . 0 0 "[ . 1 . 2]" 1
3241 2 103 ARG HG3 2 104 ILE H 3.959 . 5.918 4.461 4.171 4.997 . 0 0 "[ . 1 . 2]" 1
3242 2 104 ILE H 2 104 ILE HA 2.586 . 3.422 2.945 2.935 2.954 . 0 0 "[ . 1 . 2]" 1
3243 2 104 ILE H 2 104 ILE HB 3.315 . 4.688 3.806 3.768 3.837 . 0 0 "[ . 1 . 2]" 1
3244 2 104 ILE H 2 104 ILE MD 3.941 . 5.883 3.800 1.844 3.951 0.155 19 0 "[ . 1 . 2]" 1
3245 2 104 ILE H 2 104 ILE QG 2.764 . 2.912 2.229 2.141 2.651 . 0 0 "[ . 1 . 2]" 1
3246 2 104 ILE H 2 104 ILE MG 2.839 . 3.847 2.926 2.759 3.147 . 0 0 "[ . 1 . 2]" 1
3247 2 104 ILE HA 2 104 ILE MD 3.967 . 5.934 4.157 3.559 4.196 . 0 0 "[ . 1 . 2]" 1
3248 2 104 ILE HA 2 104 ILE QG 4.287 . 6.477 3.326 3.314 3.471 . 0 0 "[ . 1 . 2]" 1
3249 2 104 ILE HA 2 104 ILE MG 2.607 . 3.456 2.345 2.298 2.403 . 0 0 "[ . 1 . 2]" 1
3250 2 104 ILE HA 2 105 ASP H 2.556 . 3.373 2.267 2.177 2.362 . 0 0 "[ . 1 . 2]" 1
3251 2 104 ILE HB 2 104 ILE MD 2.582 . 3.416 2.437 2.356 3.214 . 0 0 "[ . 1 . 2]" 1
3252 2 104 ILE HB 2 104 ILE QG 2.668 . 3.242 2.376 2.172 2.413 . 0 0 "[ . 1 . 2]" 1
3253 2 104 ILE HB 2 104 ILE MG 2.090 . 2.636 2.125 2.118 2.127 . 0 0 "[ . 1 . 2]" 1
3254 2 104 ILE HB 2 105 ASP H 2.768 . 3.726 2.714 2.363 3.069 . 0 0 "[ . 1 . 2]" 1
3255 2 104 ILE MD 2 104 ILE QG 1.948 . 2.291 1.886 1.885 1.887 . 0 0 "[ . 1 . 2]" 1
3256 2 104 ILE MD 2 104 ILE MG 1.835 . 2.256 1.948 1.895 2.007 . 0 0 "[ . 1 . 2]" 1
3257 2 104 ILE MD 2 105 ASP H 3.739 . 5.487 4.520 4.106 4.815 . 0 0 "[ . 1 . 2]" 1
3258 2 104 ILE QG 2 104 ILE MG 1.825 . 2.241 2.303 2.264 2.427 0.186 19 0 "[ . 1 . 2]" 1
3259 2 104 ILE QG 2 105 ASP H 3.658 . 5.331 3.810 3.530 4.049 . 0 0 "[ . 1 . 2]" 1
3260 2 104 ILE MG 2 105 ASP H 3.643 . 5.302 3.729 3.482 3.862 . 0 0 "[ . 1 . 2]" 1
3261 2 105 ASP H 2 105 ASP QB 2.780 . 3.746 2.437 2.328 2.868 . 0 0 "[ . 1 . 2]" 1
3262 2 105 ASP HA 2 105 ASP QB 4.177 . 4.625 2.380 2.173 2.418 . 0 0 "[ . 1 . 2]" 1
3263 2 106 THR H 2 106 THR HB 3.732 . 5.473 2.951 2.626 3.624 . 0 0 "[ . 1 . 2]" 1
3264 2 106 THR H 2 106 THR MG 2.664 . 3.551 2.911 1.892 3.899 0.348 8 0 "[ . 1 . 2]" 1
3265 2 106 THR H 2 107 ALA H 2.271 . 2.916 2.296 2.064 2.440 . 0 0 "[ . 1 . 2]" 1
3266 2 106 THR HA 2 106 THR MG 2.883 . 3.922 2.640 2.203 3.219 . 0 0 "[ . 1 . 2]" 1
3267 2 106 THR HA 2 107 ALA H 3.340 . 4.734 3.473 3.018 3.572 . 0 0 "[ . 1 . 2]" 1
3268 2 106 THR HB 2 106 THR MG 2.191 . 2.791 2.134 2.128 2.138 . 0 0 "[ . 1 . 2]" 1
3269 2 107 ALA H 2 107 ALA HA 2.695 . 3.603 2.875 2.792 2.935 . 0 0 "[ . 1 . 2]" 1
3270 2 107 ALA H 2 107 ALA MB 2.098 . 2.648 2.756 2.556 2.912 0.264 19 0 "[ . 1 . 2]" 1
3271 2 107 ALA H 2 108 CYS H 3.779 . 5.565 4.326 4.209 4.383 . 0 0 "[ . 1 . 2]" 1
3272 2 107 ALA HA 2 107 ALA MB 2.070 . 2.606 2.130 2.125 2.136 . 0 0 "[ . 1 . 2]" 1
3273 2 107 ALA HA 2 108 CYS H 2.561 . 3.381 2.334 2.179 2.512 . 0 0 "[ . 1 . 2]" 1
3274 2 107 ALA MB 2 108 CYS H 2.274 . 2.920 2.524 2.229 2.867 . 0 0 "[ . 1 . 2]" 1
3275 2 107 ALA MB 2 109 VAL QG 1.528 . 6.000 2.816 2.389 3.194 . 0 0 "[ . 1 . 2]" 1
3276 2 108 CYS H 2 108 CYS HB2 3.684 . 5.380 2.994 2.746 3.187 . 0 0 "[ . 1 . 2]" 1
3277 2 108 CYS H 2 109 VAL H 4.081 . 6.163 4.229 4.080 4.391 . 0 0 "[ . 1 . 2]" 1
3278 2 108 CYS H 2 109 VAL QG 2.718 . 3.641 3.933 3.650 4.241 0.600 18 7 "[ * ** * 1 * - + 2]" 1
3279 2 108 CYS HA 2 109 VAL H 2.340 . 3.024 2.145 2.123 2.175 . 0 0 "[ . 1 . 2]" 1
3280 2 108 CYS HB2 2 109 VAL H 4.687 . 7.433 4.377 4.279 4.505 . 0 0 "[ . 1 . 2]" 1
3281 2 109 VAL H 2 109 VAL HB 3.379 . 4.806 3.745 3.696 3.800 . 0 0 "[ . 1 . 2]" 1
3282 2 109 VAL H 2 109 VAL QG 2.274 . 2.910 2.009 1.952 2.080 . 0 0 "[ . 1 . 2]" 1
3283 2 109 VAL HA 2 109 VAL HB 2.998 . 4.122 2.429 2.404 2.453 . 0 0 "[ . 1 . 2]" 1
3284 2 109 VAL HA 2 109 VAL QG . . 3.490 2.335 2.306 2.371 . 0 0 "[ . 1 . 2]" 1
3285 2 109 VAL HA 2 110 CYS H 2.739 . 3.677 2.287 2.176 2.564 . 0 0 "[ . 1 . 2]" 1
3286 2 109 VAL HA 2 110 CYS HB2 5.431 . 9.117 4.493 4.272 4.676 . 0 0 "[ . 1 . 2]" 1
3287 2 109 VAL HB 2 109 VAL QG 2.076 . 2.615 1.896 1.895 1.898 . 0 0 "[ . 1 . 2]" 1
3288 2 109 VAL HB 2 110 CYS H 3.054 . 4.220 2.705 2.176 2.977 . 0 0 "[ . 1 . 2]" 1
3289 2 109 VAL MG1 2 109 VAL MG2 1.644 . 1.982 2.085 2.082 2.090 0.108 15 0 "[ . 1 . 2]" 1
3290 2 109 VAL QG 2 110 CYS H 3.762 . 5.531 3.252 2.867 3.404 . 0 0 "[ . 1 . 2]" 1
3291 2 109 VAL QG 2 111 VAL H 2.976 . 4.083 3.733 3.447 4.137 0.054 17 0 "[ . 1 . 2]" 1
3292 2 109 VAL QG 2 111 VAL QG 1.433 . 6.000 2.265 1.907 2.793 . 0 0 "[ . 1 . 2]" 1
3293 2 110 CYS H 2 110 CYS HB2 3.205 . 4.489 2.808 2.377 3.089 . 0 0 "[ . 1 . 2]" 1
3294 2 110 CYS H 2 110 CYS HB3 3.740 . 5.488 2.696 2.415 3.622 . 0 0 "[ . 1 . 2]" 1
3295 2 110 CYS HA 2 111 VAL H 2.706 . 3.621 2.148 2.100 2.184 . 0 0 "[ . 1 . 2]" 1
3296 2 110 CYS HB2 2 111 VAL H 4.537 . 7.110 4.383 4.271 4.530 . 0 0 "[ . 1 . 2]" 1
3297 2 110 CYS HB3 2 111 VAL H 4.321 . 6.655 4.238 3.613 4.461 . 0 0 "[ . 1 . 2]" 1
3298 2 111 VAL H 2 111 VAL HB 2.928 . 3.999 3.695 3.618 3.780 . 0 0 "[ . 1 . 2]" 1
3299 2 111 VAL H 2 111 VAL QG 2.650 . 3.254 1.958 1.867 2.054 . 0 0 "[ . 1 . 2]" 1
3300 2 111 VAL HA 2 111 VAL QG 3.294 . 3.839 2.342 2.236 2.419 . 0 0 "[ . 1 . 2]" 1
3301 2 111 VAL HA 2 112 LEU H 2.836 . 3.842 2.280 2.189 2.409 . 0 0 "[ . 1 . 2]" 1
3302 2 111 VAL HB 2 111 VAL QG 1.860 . 2.192 1.893 1.889 1.896 . 0 0 "[ . 1 . 2]" 1
3303 2 111 VAL MG1 2 111 VAL MG2 1.568 . 6.000 2.081 2.062 2.088 . 0 0 "[ . 1 . 2]" 1
3304 2 111 VAL QG 2 112 LEU H 3.317 . 4.692 3.279 3.062 3.450 . 0 0 "[ . 1 . 2]" 1
3305 2 111 VAL QG 2 112 LEU HA 3.426 . 4.893 3.721 3.264 4.216 . 0 0 "[ . 1 . 2]" 1
3306 2 111 VAL QG 2 112 LEU QD 3.966 . 5.933 4.100 3.783 4.385 . 0 0 "[ . 1 . 2]" 1
3307 2 112 LEU H 2 112 LEU HB2 4.033 . 6.066 2.567 2.485 2.694 . 0 0 "[ . 1 . 2]" 1
3308 2 112 LEU H 2 112 LEU QD 3.813 . 5.630 3.394 3.272 3.561 . 0 0 "[ . 1 . 2]" 1
3309 2 112 LEU H 2 112 LEU HG 2.914 . 3.975 2.926 2.604 3.212 . 0 0 "[ . 1 . 2]" 1
3310 2 112 LEU HA 2 112 LEU QD . . 3.191 2.048 1.991 2.174 . 0 0 "[ . 1 . 2]" 1
3311 2 112 LEU HA 2 112 LEU HG 3.709 . 5.429 3.182 3.093 3.290 . 0 0 "[ . 1 . 2]" 1
3312 2 112 LEU HA 2 113 SER H 2.554 . 3.370 2.165 2.129 2.258 . 0 0 "[ . 1 . 2]" 1
3313 2 112 LEU HB2 2 112 LEU QD 2.718 . 3.641 2.305 2.237 2.341 . 0 0 "[ . 1 . 2]" 1
3314 2 112 LEU HB2 2 113 SER HB3 5.668 . 9.683 6.116 5.076 6.857 . 0 0 "[ . 1 . 2]" 1
3315 2 112 LEU HB3 2 112 LEU QD 2.731 . 3.663 2.111 2.094 2.121 . 0 0 "[ . 1 . 2]" 1
3316 2 112 LEU MD1 2 112 LEU MD2 1.836 . 2.257 2.077 2.072 2.083 . 0 0 "[ . 1 . 2]" 1
3317 2 112 LEU QD 2 112 LEU HG 2.112 . 2.354 1.894 1.892 1.897 . 0 0 "[ . 1 . 2]" 1
3318 2 112 LEU QD 2 113 SER H 3.656 . 5.326 3.439 3.309 3.604 . 0 0 "[ . 1 . 2]" 1
3319 2 113 SER H 2 113 SER HB3 3.309 . 4.677 3.062 2.531 3.785 . 0 0 "[ . 1 . 2]" 1
3320 2 113 SER H 2 115 LYS H 4.185 . 6.375 4.617 4.230 5.383 . 0 0 "[ . 1 . 2]" 1
3321 2 113 SER HA 2 113 SER HB3 2.530 . 3.330 2.745 2.324 3.037 . 0 0 "[ . 1 . 2]" 1
3322 2 113 SER HA 2 114 ARG H 2.313 . 2.982 2.277 2.197 2.527 . 0 0 "[ . 1 . 2]" 1
3323 2 113 SER HA 2 114 ARG HG3 5.935 . 10.338 6.008 3.732 6.807 . 0 0 "[ . 1 . 2]" 1
3324 2 113 SER HB3 2 114 ARG H 4.170 . 6.343 3.965 2.646 4.636 . 0 0 "[ . 1 . 2]" 1
3325 2 114 ARG H 2 114 ARG HB3 2.650 . 3.528 2.910 2.445 3.618 0.090 20 0 "[ . 1 . 2]" 1
3326 2 114 ARG H 2 114 ARG HD3 4.828 . 7.742 4.840 4.100 6.050 . 0 0 "[ . 1 . 2]" 1
3327 2 114 ARG H 2 114 ARG HG3 4.920 . 7.946 4.117 1.950 4.727 . 0 0 "[ . 1 . 2]" 1
3328 2 114 ARG HA 2 114 ARG HG3 3.871 . 5.744 3.164 2.447 3.725 . 0 0 "[ . 1 . 2]" 1
3329 2 114 ARG HB3 2 114 ARG HD2 3.511 . 5.051 3.355 2.405 4.232 . 0 0 "[ . 1 . 2]" 1
3330 2 114 ARG HB3 2 114 ARG HD3 3.050 . 4.213 3.424 2.472 4.229 0.016 17 0 "[ . 1 . 2]" 1
3331 2 114 ARG HB3 2 114 ARG HG3 2.699 . 3.609 2.604 2.424 3.014 . 0 0 "[ . 1 . 2]" 1
3332 2 114 ARG HD2 2 114 ARG HG3 2.581 . 3.413 2.574 2.376 3.019 . 0 0 "[ . 1 . 2]" 1
3333 2 115 LYS H 2 115 LYS HA 2.382 . 3.091 2.397 2.258 2.942 . 0 0 "[ . 1 . 2]" 1
3334 2 115 LYS H 2 115 LYS QE 4.838 . 7.763 5.090 3.766 5.541 . 0 0 "[ . 1 . 2]" 1
3335 2 115 LYS HA 2 115 LYS QB 3.552 . 5.129 2.339 2.180 2.400 . 0 0 "[ . 1 . 2]" 1
3336 2 115 LYS HA 2 115 LYS QD 4.652 . 7.357 4.208 3.806 4.484 . 0 0 "[ . 1 . 2]" 1
3337 2 115 LYS HA 2 115 LYS QE 5.139 . 8.440 4.134 3.751 4.523 . 0 0 "[ . 1 . 2]" 1
3338 2 115 LYS HA 2 115 LYS QG 4.471 . 6.970 2.604 2.402 3.382 . 0 0 "[ . 1 . 2]" 1
3339 2 115 LYS QB 2 115 LYS QD 2.995 . 4.116 2.306 2.245 2.376 . 0 0 "[ . 1 . 2]" 1
3340 2 115 LYS QB 2 115 LYS QE . . 2.222 1.962 1.906 2.043 . 0 0 "[ . 1 . 2]" 1
3341 2 115 LYS QB 2 115 LYS QG . . 2.555 2.085 2.070 2.090 . 0 0 "[ . 1 . 2]" 1
3342 2 115 LYS QD 2 115 LYS QE 2.016 . 2.524 2.061 1.994 2.088 . 0 0 "[ . 1 . 2]" 1
3343 2 115 LYS QD 2 115 LYS QG . . 2.422 2.006 1.988 2.015 0.011 7 0 "[ . 1 . 2]" 1
3344 2 115 LYS QE 2 115 LYS QG 3.419 . 3.570 2.463 2.293 2.830 . 0 0 "[ . 1 . 2]" 1
3345 2 116 ALA H 2 116 ALA MB 2.782 . 3.750 2.467 2.244 2.937 . 0 0 "[ . 1 . 2]" 1
3346 2 116 ALA HA 2 116 ALA MB 1.875 . 2.314 2.130 2.120 2.138 . 0 0 "[ . 1 . 2]" 1
3347 2 116 ALA MB 2 117 THR HA 3.195 . 4.471 4.119 3.820 4.552 0.081 16 0 "[ . 1 . 2]" 1
3348 2 117 THR HA 2 117 THR MG 2.587 . 3.423 2.330 2.216 3.213 . 0 0 "[ . 1 . 2]" 1
3349 2 117 THR HA 2 118 ARG H 2.434 . 3.175 2.511 2.230 3.302 0.127 9 0 "[ . 1 . 2]" 1
3350 2 117 THR HB 2 117 THR MG 2.033 . 2.549 2.134 2.126 2.137 . 0 0 "[ . 1 . 2]" 1
3351 2 117 THR HB 2 118 ARG H 2.074 . 2.611 2.631 1.922 4.228 1.617 13 3 "[ . *1 + . -2]" 1
3352 2 117 THR MG 2 118 ARG H 4.123 . 6.248 3.581 3.095 4.342 . 0 0 "[ . 1 . 2]" 1
3353 2 118 ARG H 2 118 ARG HA 2.482 . 3.252 2.843 2.240 2.944 . 0 0 "[ . 1 . 2]" 1
3354 2 118 ARG H 2 118 ARG QB 3.740 . 4.104 2.862 2.261 3.388 . 0 0 "[ . 1 . 2]" 1
3355 2 118 ARG H 2 118 ARG HD3 4.583 . 7.209 4.461 2.221 6.059 . 0 0 "[ . 1 . 2]" 1
3356 2 118 ARG H 2 118 ARG QG 3.581 . 5.184 3.094 1.754 4.480 0.246 7 0 "[ . 1 . 2]" 1
3357 2 118 ARG HA 2 118 ARG QB 3.128 . 4.351 2.318 2.149 2.514 . 0 0 "[ . 1 . 2]" 1
3358 2 118 ARG HA 2 118 ARG HD3 3.959 . 5.918 3.994 2.353 5.373 . 0 0 "[ . 1 . 2]" 1
3359 2 118 ARG HA 2 118 ARG QG 3.611 . 5.241 2.988 2.399 3.514 . 0 0 "[ . 1 . 2]" 1
3360 2 118 ARG QB 2 118 ARG HD2 4.667 . 7.389 2.953 2.250 3.511 . 0 0 "[ . 1 . 2]" 1
3361 2 118 ARG QB 2 118 ARG HD3 4.501 . 5.425 3.106 2.316 3.538 . 0 0 "[ . 1 . 2]" 1
3362 2 118 ARG QB 2 118 ARG QG 2.007 . 2.378 2.004 1.972 2.088 . 0 0 "[ . 1 . 2]" 1
3363 2 118 ARG HD3 2 118 ARG QG 3.335 . 4.725 2.260 2.145 2.449 . 0 0 "[ . 1 . 2]" 1
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