NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568747 |
2m32   |
18942 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m32
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 1795
_Distance_constraint_stats_list.Viol_count 2350
_Distance_constraint_stats_list.Viol_total 10049.085
_Distance_constraint_stats_list.Viol_max 3.744
_Distance_constraint_stats_list.Viol_rms 0.2154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0560
_Distance_constraint_stats_list.Viol_average_violations_only 0.4276
_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 THR 15.927 1.122 1 9 [+-*******1]
1 3 GLN 12.596 1.014 7 9 [*-**.*+***]
1 4 LEU 8.785 1.122 1 5 "[+ -** *1]"
1 5 ASP 14.595 1.106 5 10 [**-*+*****]
1 6 ILE 16.417 1.413 3 10 [**+*******]
1 7 VAL 12.499 1.107 6 9 [**-*.+****]
1 8 ILE 10.120 1.047 7 10 [**-***+***]
1 9 VAL 8.683 1.318 1 9 "[+* -******]"
1 10 LEU 5.205 0.755 3 2 "[ + . - 1]"
1 11 ASP 2.039 0.508 3 1 "[ + . 1]"
1 12 GLY 4.564 1.311 3 3 "[ *+ . -]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 ASN 0.000 0.000 . 0 "[ . 1]"
1 15 SER 0.000 0.000 . 0 "[ . 1]"
1 16 ILE 2.618 0.775 3 1 "[ + . 1]"
1 17 TYR 0.000 0.000 . 0 "[ . 1]"
1 18 PRO 0.490 0.490 1 0 "[ . 1]"
1 19 TRP 20.868 1.311 3 10 [**+******-]
1 20 ASP 1.936 0.490 1 0 "[ . 1]"
1 21 SER 3.353 0.889 6 1 "[ .+ 1]"
1 22 VAL 21.995 1.869 1 10 [+*-*******]
1 23 THR 18.037 1.377 10 10 [*-*******+]
1 24 ALA 0.558 0.125 8 0 "[ . 1]"
1 25 PHE 17.260 1.601 9 10 [*****-**+*]
1 26 LEU 55.481 1.869 1 10 [+-********]
1 27 ASN 2.350 0.845 3 1 "[ + . 1]"
1 28 ASP 3.952 0.845 3 2 "[ + .- 1]"
1 29 LEU 8.614 0.739 2 9 "[*+***- ***]"
1 30 LEU 8.214 0.739 2 9 "[*+***- ***]"
1 31 GLU 6.566 1.192 3 5 "[- + * **1]"
1 32 ARG 10.900 1.309 3 10 [**+**-****]
1 33 MET 46.919 2.355 4 10 [-**+******]
1 34 ASP 10.138 1.251 5 10 [-***+*****]
1 35 ILE 25.837 1.485 7 10 [******+*-*]
1 36 GLY 0.736 0.244 5 0 "[ . 1]"
1 37 PRO 4.235 0.701 3 4 "[**+ . -]"
1 38 LYS 2.588 0.674 2 2 "[ + . -]"
1 39 GLN 3.228 0.845 10 2 "[ - . +]"
1 40 THR 3.988 0.463 1 0 "[ . 1]"
1 41 GLN 1.437 1.413 3 1 "[ + . 1]"
1 42 VAL 3.782 0.543 6 1 "[ .+ 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 44 ILE 17.152 1.302 3 7 "[**+*. *-*1]"
1 45 VAL 5.516 0.638 1 3 "[+* . - 1]"
1 46 GLN 22.770 1.756 7 10 [******+-**]
1 47 TYR 3.127 0.729 9 2 "[- . +1]"
1 48 GLY 1.355 0.699 1 1 "[+ . 1]"
1 49 GLU 5.083 1.500 7 2 "[- . + 1]"
1 50 ASN 4.995 0.672 9 1 "[ . +1]"
1 51 VAL 14.457 0.809 5 10 [****+***-*]
1 52 THR 27.589 1.756 7 9 "[* ****+*-*]"
1 53 HIS 2.317 0.906 1 2 "[+ . - 1]"
1 54 GLU 13.002 1.302 3 6 "[* +** - *]"
1 55 PHE 5.279 0.857 10 5 "[ * .-** +]"
1 56 ASN 4.889 0.595 5 1 "[ + 1]"
1 57 LEU 2.072 0.420 5 0 "[ . 1]"
1 58 ASN 5.357 0.595 5 1 "[ + 1]"
1 59 LYS 1.514 0.556 5 1 "[ + 1]"
1 60 TYR 1.552 0.300 7 0 "[ . 1]"
1 61 SER 1.925 0.743 1 2 "[+ . - 1]"
1 62 SER 4.660 0.542 7 1 "[ . + 1]"
1 63 THR 14.622 1.192 3 7 "[**+ * -**1]"
1 64 GLU 13.473 0.911 7 7 "[ * *-*+* *]"
1 65 GLU 8.392 0.895 4 6 "[ +**-* *]"
1 66 VAL 13.032 1.485 7 6 "[**- * +* 1]"
1 67 LEU 0.987 0.370 3 0 "[ . 1]"
1 68 VAL 17.395 0.959 7 8 "[ *****+- *]"
1 69 ALA 5.738 0.671 5 7 "[ * *+**- *]"
1 70 ALA 8.298 1.163 4 5 "[ * +* *-1]"
1 71 LYS 4.061 0.959 7 3 "[ * - + 1]"
1 72 LYS 0.480 0.362 4 0 "[ . 1]"
1 73 ILE 41.770 1.163 4 10 [***+***-**]
1 74 VAL 9.536 0.699 9 10 [*******-+*]
1 75 GLN 2.767 0.462 1 0 "[ . 1]"
1 76 ARG 0.409 0.409 3 0 "[ . 1]"
1 77 GLY 0.025 0.017 7 0 "[ . 1]"
1 78 GLY 0.322 0.253 9 0 "[ . 1]"
1 79 ARG 1.614 0.593 7 1 "[ . + 1]"
1 80 GLN 3.985 1.500 7 2 "[- . + 1]"
1 81 THR 19.150 2.620 8 10 [******-+**]
1 82 MET 22.786 2.620 8 9 "[-***** +**]"
1 83 THR 33.402 2.510 2 9 "[*+**-** **]"
1 84 ALA 4.327 0.549 1 1 "[+ . 1]"
1 85 LEU 10.007 1.086 5 8 "[* **+*-**1]"
1 86 GLY 1.880 0.433 3 0 "[ . 1]"
1 87 ILE 9.577 1.322 3 3 "[- + . * 1]"
1 88 ASP 0.366 0.143 3 0 "[ . 1]"
1 89 THR 10.764 0.809 5 9 "[ ***+**-**]"
1 90 ALA 5.600 0.916 4 2 "[- +. 1]"
1 91 ARG 9.693 0.976 4 4 "[- *+. * 1]"
1 92 LYS 0.338 0.176 1 0 "[ . 1]"
1 93 GLU 3.541 1.026 1 1 "[+ . 1]"
1 94 ALA 9.329 0.891 1 5 "[+ *. ***1]"
1 95 PHE 43.170 2.374 4 10 [***+******]
1 96 THR 17.221 1.522 8 10 [***-***+**]
1 98 ALA 0.000 0.000 . 0 "[ . 1]"
1 99 ARG 0.000 0.000 . 0 "[ . 1]"
1 100 GLY 0.881 0.456 9 0 "[ . 1]"
1 101 ALA 5.956 0.962 5 5 "[ - +** *1]"
1 102 ARG 0.259 0.082 7 0 "[ . 1]"
1 103 ARG 0.883 0.515 2 1 "[ + . 1]"
1 105 VAL 4.967 0.861 3 2 "[ +-. 1]"
1 106 LYS 2.704 0.610 3 1 "[ + . 1]"
1 107 LYS 0.000 0.000 . 0 "[ . 1]"
1 108 VAL 5.166 0.568 8 3 "[ *. + -]"
1 109 MET 22.000 2.374 4 7 "[* -+.****1]"
1 110 VAL 14.701 1.318 1 9 "[+* **-****]"
1 111 ILE 10.026 1.241 10 6 "[ *-** * +]"
1 112 VAL 1.240 0.416 2 0 "[ . 1]"
1 113 THR 36.104 2.632 7 8 "[-***.*+ **]"
1 114 ASP 3.794 0.890 10 4 "[* - . *+]"
1 115 GLY 3.058 1.256 10 2 "[ . - +]"
1 116 GLU 6.914 1.221 7 4 "[* * + *]"
1 117 SER 0.100 0.035 6 0 "[ . 1]"
1 118 HIS 0.000 0.000 . 0 "[ . 1]"
1 119 ASP 0.000 0.000 . 0 "[ . 1]"
1 120 ASN 3.408 0.638 1 1 "[+ . 1]"
1 121 HIS 0.000 0.000 . 0 "[ . 1]"
1 122 ARG 3.503 0.590 3 2 "[ + . -]"
1 123 LEU 11.459 1.086 5 9 "[* **+****-]"
1 124 LYS 1.389 0.856 8 1 "[ . + 1]"
1 125 LYS 4.277 0.948 5 2 "[ + -1]"
1 126 VAL 0.136 0.056 8 0 "[ . 1]"
1 127 ILE 2.909 0.948 5 2 "[ + -1]"
1 128 GLN 3.000 0.603 3 1 "[ + . 1]"
1 129 ASP 5.512 0.891 5 2 "[- + 1]"
1 130 CYS 4.509 0.509 2 1 "[ + . 1]"
1 131 GLU 8.770 0.891 5 5 "[*** +- 1]"
1 132 ASP 7.983 0.796 2 3 "[*+ .* 1]"
1 133 GLU 3.940 0.652 1 1 "[+ . 1]"
1 134 ASN 4.294 1.146 4 1 "[ +. 1]"
1 135 ILE 12.586 3.504 4 5 "[ -+.* * *]"
1 136 GLN 0.000 0.000 . 0 "[ . 1]"
1 137 ARG 0.038 0.038 6 0 "[ . 1]"
1 138 PHE 17.655 1.321 4 5 "[* +.* * -]"
1 139 SER 15.372 1.461 9 9 "[** *-***+*]"
1 140 ILE 46.669 2.133 9 10 [***-****+*]
1 141 ALA 10.172 0.992 7 9 "[**-***+ **]"
1 142 ILE 18.443 1.936 9 8 "[ *-*** *+*]"
1 143 LEU 18.585 2.402 9 6 "[-** .* +*]"
1 144 GLY 0.000 0.000 . 0 "[ . 1]"
1 145 SER 0.114 0.066 6 0 "[ . 1]"
1 146 TYR 16.211 2.608 10 8 "[** *-***+]"
1 147 ASN 15.313 2.608 10 8 "[** *-***+]"
1 148 ARG 0.892 0.484 3 0 "[ . 1]"
1 149 GLY 0.000 0.000 . 0 "[ . 1]"
1 150 ASN 0.295 0.295 9 0 "[ . 1]"
1 151 LEU 15.426 3.744 9 6 "[ -* *** +1]"
1 152 SER 10.897 1.406 8 9 "[*- ****+**]"
1 153 THR 44.567 3.744 9 10 [-*******+*]
1 154 GLU 3.838 0.495 1 0 "[ . 1]"
1 155 LYS 5.759 0.562 5 1 "[ + 1]"
1 156 PHE 15.525 2.190 9 6 "[*- .* *+*]"
1 157 VAL 4.435 0.912 4 2 "[ +. - 1]"
1 158 GLU 6.680 0.932 2 3 "[ + * -1]"
1 159 GLU 34.108 2.632 7 8 "[****.-+ **]"
1 160 ILE 79.080 2.510 2 10 [*+*****-**]
1 161 LYS 8.416 1.405 2 5 "[*+**. -1]"
1 162 SER 0.501 0.166 2 0 "[ . 1]"
1 163 ILE 8.471 0.829 3 8 "[ *+*-* ***]"
1 164 ALA 38.345 1.346 10 10 [****-****+]
1 165 SER 3.818 0.722 8 2 "[ - + 1]"
1 166 GLU 24.364 1.818 7 10 [*****-+***]
1 167 PRO 15.561 1.597 3 8 "[ *+** ***-]"
1 168 THR 30.593 1.818 7 10 [**-***+***]
1 169 GLU 0.994 0.503 3 1 "[ + . 1]"
1 170 LYS 16.294 1.597 3 10 [**+******-]
1 171 HIS 6.710 0.951 3 4 "[ +*. -* 1]"
1 172 PHE 11.969 1.346 10 6 "[**- .* * +]"
1 173 PHE 48.618 2.133 9 10 [**-*****+*]
1 174 ASN 7.245 1.101 9 5 "[ ***-+1]"
1 175 VAL 4.779 1.642 9 2 "[ - . +1]"
1 176 SER 2.285 0.690 9 1 "[ . +1]"
1 177 ASP 3.091 0.584 3 1 "[ + . 1]"
1 178 GLU 12.952 2.087 4 6 "[ **+* - *]"
1 179 LEU 14.155 2.087 4 6 "[ **+- * *]"
1 180 ALA 27.941 2.891 4 10 [***+***-**]
1 181 LEU 13.271 1.922 4 7 "[***+* * -]"
1 182 VAL 3.933 0.876 3 1 "[ + . 1]"
1 183 THR 9.805 1.205 4 6 "[ **+* - *]"
1 184 ILE 57.030 2.891 4 10 [***+******]
1 185 VAL 24.452 2.355 4 9 "[***+** *-*]"
1 186 LYS 4.108 0.937 9 2 "[ .- +1]"
1 187 THR 7.223 1.392 3 4 "[- +*. *1]"
1 188 LEU 2.267 0.500 3 0 "[ . 1]"
1 189 GLY 0.625 0.166 1 0 "[ . 1]"
1 190 GLU 7.343 1.392 3 3 "[ + - *1]"
1 191 ARG 20.643 1.069 3 8 "[ *+*-* ***]"
1 192 ILE 32.948 3.504 4 10 [***+*****-]
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 THR H 1 2 THR HB 3.910 . 3.910 2.814 2.441 3.061 . 0 0 "[ . 1]" 1
2 1 2 THR HA 1 2 THR MG 2.780 . 2.780 2.240 2.182 2.425 . 0 0 "[ . 1]" 1
3 1 2 THR H 1 2 THR MG 3.850 . 3.850 3.708 3.528 3.887 0.037 5 0 "[ . 1]" 1
4 1 2 THR MG 1 3 GLN HA 4.320 . 4.320 4.687 4.030 5.075 0.755 2 3 "[ + -. * 1]" 1
5 1 2 THR HA 1 3 GLN H 2.880 . 2.880 2.455 2.208 2.944 0.064 7 0 "[ . 1]" 1
6 1 2 THR MG 1 3 GLN H 3.340 . 3.340 3.922 3.467 4.354 1.014 7 6 "[*-* .*+ *1]" 1
7 1 2 THR H 1 3 GLN H 3.980 . 3.980 3.756 2.955 4.052 0.072 4 0 "[ . 1]" 1
8 1 2 THR HA 1 4 LEU H 5.150 . 5.150 5.722 5.001 6.272 1.122 1 5 "[+ -** *1]" 1
9 1 3 GLN H 1 3 GLN QB 3.690 . 3.690 2.612 2.160 3.301 . 0 0 "[ . 1]" 1
10 1 3 GLN HA 1 3 GLN HE21 5.020 . 5.020 3.123 1.588 4.243 0.212 4 0 "[ . 1]" 1
11 1 3 GLN H 1 3 GLN HE21 4.960 . 4.960 4.511 3.739 5.051 0.091 9 0 "[ . 1]" 1
12 1 3 GLN HA 1 3 GLN HG2 4.020 . 4.020 3.196 2.256 3.899 . 0 0 "[ . 1]" 1
13 1 3 GLN H 1 3 GLN HG2 3.810 . 3.810 2.718 1.910 3.968 0.158 5 0 "[ . 1]" 1
14 1 3 GLN HA 1 4 LEU H 3.400 . 3.400 2.180 2.093 2.313 . 0 0 "[ . 1]" 1
15 1 3 GLN HG2 1 4 LEU H 5.250 . 5.250 4.844 3.937 5.363 0.113 3 0 "[ . 1]" 1
16 1 3 GLN H 1 4 LEU H 4.650 . 4.650 4.388 4.125 4.538 . 0 0 "[ . 1]" 1
17 1 3 GLN HA 1 39 GLN HA 3.550 . 3.550 2.726 2.139 3.258 . 0 0 "[ . 1]" 1
18 1 3 GLN HE21 1 39 GLN HA 4.340 . 4.340 3.554 2.392 5.185 0.845 10 1 "[ . +]" 1
19 1 3 GLN HE21 1 105 VAL QG 4.870 . 4.870 4.010 2.676 4.950 0.080 7 0 "[ . 1]" 1
20 1 3 GLN HE22 1 105 VAL QG 5.000 . 5.000 4.606 3.084 5.557 0.557 4 1 "[ +. 1]" 1
21 1 3 GLN HG2 1 105 VAL QG 5.480 . 5.480 4.312 3.015 5.125 . 0 0 "[ . 1]" 1
22 1 3 GLN H 1 105 VAL QG 5.080 . 5.080 4.278 3.529 4.793 . 0 0 "[ . 1]" 1
23 1 4 LEU H 1 4 LEU MD2 5.060 . 5.060 3.893 2.341 4.411 . 0 0 "[ . 1]" 1
24 1 4 LEU H 1 4 LEU HG 4.540 . 4.540 3.019 2.768 3.422 . 0 0 "[ . 1]" 1
25 1 4 LEU HA 1 5 ASP HA 5.130 . 5.130 4.379 4.334 4.468 . 0 0 "[ . 1]" 1
26 1 4 LEU HB2 1 5 ASP HA 5.430 . 5.430 4.742 4.606 5.012 . 0 0 "[ . 1]" 1
27 1 4 LEU HA 1 5 ASP H 3.510 . 3.510 2.216 2.129 2.310 . 0 0 "[ . 1]" 1
28 1 4 LEU HB2 1 5 ASP H 4.800 . 4.800 2.984 2.578 3.590 . 0 0 "[ . 1]" 1
29 1 4 LEU HG 1 5 ASP H 5.420 . 5.420 4.961 3.956 5.236 . 0 0 "[ . 1]" 1
30 1 4 LEU H 1 40 THR HA 4.090 . 4.090 3.244 2.633 3.530 . 0 0 "[ . 1]" 1
31 1 4 LEU H 1 40 THR MG 4.690 . 4.690 4.856 4.305 5.128 0.438 5 0 "[ . 1]" 1
32 1 4 LEU H 1 41 GLN H 4.360 . 4.360 3.104 2.556 4.268 . 0 0 "[ . 1]" 1
33 1 4 LEU HB2 1 105 VAL QG 5.500 . 5.500 3.974 3.672 4.662 . 0 0 "[ . 1]" 1
34 1 4 LEU HA 1 105 VAL QG 4.140 . 4.140 2.127 1.829 2.486 . 0 0 "[ . 1]" 1
35 1 4 LEU H 1 105 VAL QG 4.930 . 4.930 3.599 3.336 3.903 . 0 0 "[ . 1]" 1
36 1 4 LEU HA 1 106 LYS H 4.920 . 4.920 3.864 2.826 5.144 0.224 7 0 "[ . 1]" 1
37 1 5 ASP HA 1 6 ILE HB 5.430 . 5.430 4.756 4.613 4.872 . 0 0 "[ . 1]" 1
38 1 5 ASP HA 1 6 ILE MD 4.290 . 4.290 5.158 4.975 5.396 1.106 5 10 [*-**+*****] 1
39 1 5 ASP QB 1 6 ILE MD 5.500 . 5.500 5.905 5.772 6.052 0.552 3 1 "[ + . 1]" 1
40 1 5 ASP QB 1 6 ILE H 4.870 . 4.870 3.549 3.369 3.770 . 0 0 "[ . 1]" 1
41 1 5 ASP HA 1 95 PHE QE 5.040 . 5.040 4.249 3.599 4.973 . 0 0 "[ . 1]" 1
42 1 5 ASP H 1 105 VAL QG . . 4.150 2.542 1.977 3.137 . 0 0 "[ . 1]" 1
43 1 5 ASP H 1 105 VAL H 5.500 . 5.500 5.158 3.970 6.361 0.861 3 1 "[ + . 1]" 1
44 1 5 ASP H 1 106 LYS QB 5.190 . 5.190 3.533 3.137 3.783 . 0 0 "[ . 1]" 1
45 1 5 ASP H 1 106 LYS H 5.410 . 5.410 4.354 3.816 5.019 . 0 0 "[ . 1]" 1
46 1 5 ASP H 1 107 LYS HA 5.180 . 5.180 3.518 3.273 3.851 . 0 0 "[ . 1]" 1
47 1 5 ASP H 1 108 VAL QG 5.250 . 5.250 4.140 3.859 4.438 . 0 0 "[ . 1]" 1
48 1 6 ILE H 1 6 ILE HB 3.900 . 3.900 2.691 2.623 2.753 . 0 0 "[ . 1]" 1
49 1 6 ILE HB 1 6 ILE MD 3.370 . 3.370 2.458 2.388 2.524 . 0 0 "[ . 1]" 1
50 1 6 ILE H 1 6 ILE MD 4.520 . 4.520 3.981 3.812 4.214 . 0 0 "[ . 1]" 1
51 1 6 ILE HA 1 6 ILE MG 3.620 . 3.620 2.367 2.329 2.420 . 0 0 "[ . 1]" 1
52 1 6 ILE MG 1 7 VAL HA 4.430 . 4.430 3.688 3.505 3.794 . 0 0 "[ . 1]" 1
53 1 6 ILE HA 1 7 VAL QG 5.500 . 5.500 3.744 3.633 3.868 . 0 0 "[ . 1]" 1
54 1 6 ILE HA 1 7 VAL H 3.540 . 3.540 2.197 2.142 2.256 . 0 0 "[ . 1]" 1
55 1 6 ILE HB 1 7 VAL H 4.130 . 4.130 4.035 3.827 4.181 0.051 5 0 "[ . 1]" 1
56 1 6 ILE MG 1 7 VAL H 3.700 . 3.700 2.549 2.314 2.736 . 0 0 "[ . 1]" 1
57 1 6 ILE MD 1 40 THR MG 3.320 . 3.320 2.519 1.999 3.462 0.142 3 0 "[ . 1]" 1
58 1 6 ILE MD 1 41 GLN H 4.610 . 4.610 4.466 3.968 6.023 1.413 3 1 "[ + . 1]" 1
59 1 6 ILE HB 1 42 VAL HA 4.770 . 4.770 2.647 2.270 2.909 . 0 0 "[ . 1]" 1
60 1 6 ILE MD 1 42 VAL HA 4.240 . 4.240 4.345 3.980 4.671 0.431 10 0 "[ . 1]" 1
61 1 6 ILE MG 1 42 VAL HA 5.220 . 5.220 3.700 3.366 3.892 . 0 0 "[ . 1]" 1
62 1 6 ILE H 1 42 VAL HA 4.620 . 4.620 3.289 3.026 3.609 . 0 0 "[ . 1]" 1
63 1 6 ILE MD 1 42 VAL QG 2.880 . 2.880 2.478 2.135 3.087 0.207 5 0 "[ . 1]" 1
64 1 6 ILE H 1 42 VAL QG 4.620 . 4.620 3.801 3.534 4.207 . 0 0 "[ . 1]" 1
65 1 6 ILE H 1 43 GLY H 4.970 . 4.970 4.324 3.856 4.485 . 0 0 "[ . 1]" 1
66 1 6 ILE H 1 57 LEU QD 4.360 . 4.360 3.211 2.237 4.034 . 0 0 "[ . 1]" 1
67 1 6 ILE HA 1 108 VAL QG 5.000 . 5.000 3.361 3.147 3.550 . 0 0 "[ . 1]" 1
68 1 6 ILE MG 1 108 VAL QG 3.620 . 3.620 2.288 2.153 2.493 . 0 0 "[ . 1]" 1
69 1 6 ILE MD 1 108 VAL QG 3.670 . 3.670 2.769 2.533 3.038 . 0 0 "[ . 1]" 1
70 1 6 ILE QG 1 108 VAL H 5.410 . 5.410 3.468 3.145 4.053 . 0 0 "[ . 1]" 1
71 1 6 ILE HA 1 109 MET HA 5.280 . 5.280 4.369 4.167 4.582 . 0 0 "[ . 1]" 1
72 1 6 ILE MG 1 109 MET HA 5.210 . 5.210 3.851 3.521 4.238 . 0 0 "[ . 1]" 1
73 1 6 ILE MG 1 110 VAL H 5.210 . 5.210 3.586 3.455 3.853 . 0 0 "[ . 1]" 1
74 1 7 VAL H 1 7 VAL HB 3.930 . 3.930 3.158 3.047 3.263 . 0 0 "[ . 1]" 1
75 1 7 VAL H 1 7 VAL QG 4.090 . 4.090 2.224 2.111 2.423 . 0 0 "[ . 1]" 1
76 1 7 VAL QG 1 8 ILE H . . 3.960 2.541 2.401 2.732 . 0 0 "[ . 1]" 1
77 1 7 VAL H 1 8 ILE H 5.100 . 5.100 4.382 4.238 4.444 . 0 0 "[ . 1]" 1
78 1 7 VAL HA 1 42 VAL HA 5.260 . 5.260 3.855 3.515 4.110 . 0 0 "[ . 1]" 1
79 1 7 VAL QG 1 42 VAL HA 5.030 . 5.030 5.036 4.761 5.192 0.162 3 0 "[ . 1]" 1
80 1 7 VAL HA 1 43 GLY QA 4.710 . 4.710 3.370 3.098 3.487 . 0 0 "[ . 1]" 1
81 1 7 VAL HA 1 43 GLY H 4.340 . 4.340 2.365 2.161 2.540 . 0 0 "[ . 1]" 1
82 1 7 VAL QG 1 43 GLY H 4.880 . 4.880 3.642 3.344 3.790 . 0 0 "[ . 1]" 1
83 1 7 VAL QG 1 44 ILE HA 5.030 . 5.030 3.995 3.671 4.202 . 0 0 "[ . 1]" 1
84 1 7 VAL QG 1 44 ILE H 4.530 . 4.530 4.492 3.935 4.834 0.304 1 0 "[ . 1]" 1
85 1 7 VAL QG 1 45 VAL HA 5.360 . 5.360 4.849 4.669 5.011 . 0 0 "[ . 1]" 1
86 1 7 VAL QG 1 45 VAL MG2 . . 3.240 2.159 1.963 2.273 . 0 0 "[ . 1]" 1
87 1 7 VAL QG 1 45 VAL H 5.120 . 5.120 3.692 3.568 3.848 . 0 0 "[ . 1]" 1
88 1 7 VAL QG 1 57 LEU QD 3.520 . 3.520 2.861 2.310 3.454 . 0 0 "[ . 1]" 1
89 1 7 VAL QG 1 90 ALA HA . . 4.750 3.458 3.004 3.874 . 0 0 "[ . 1]" 1
90 1 7 VAL HB 1 90 ALA MB 4.610 . 4.610 4.195 3.889 4.586 . 0 0 "[ . 1]" 1
91 1 7 VAL QG 1 90 ALA MB . . 3.280 2.125 1.893 2.434 . 0 0 "[ . 1]" 1
92 1 7 VAL QG 1 94 ALA HA 5.500 . 5.500 4.501 4.165 4.843 . 0 0 "[ . 1]" 1
93 1 7 VAL QG 1 94 ALA MB 3.470 . 3.470 2.161 1.947 2.430 . 0 0 "[ . 1]" 1
94 1 7 VAL QG 1 95 PHE HA 5.500 . 5.500 4.743 4.436 5.125 . 0 0 "[ . 1]" 1
95 1 7 VAL QG 1 95 PHE HB2 4.750 . 4.750 4.148 3.239 5.054 0.304 6 0 "[ . 1]" 1
96 1 7 VAL HB 1 95 PHE QD 4.440 . 4.440 3.621 2.573 4.395 . 0 0 "[ . 1]" 1
97 1 7 VAL QG 1 95 PHE QD 3.910 . 3.910 3.202 2.216 3.838 . 0 0 "[ . 1]" 1
98 1 7 VAL H 1 95 PHE QD 4.690 . 4.690 5.337 4.642 5.797 1.107 6 8 "[*- *.+****]" 1
99 1 7 VAL QG 1 95 PHE H 5.480 . 5.480 4.159 3.956 4.464 . 0 0 "[ . 1]" 1
100 1 7 VAL H 1 108 VAL QG 5.500 . 5.500 4.011 3.729 4.240 . 0 0 "[ . 1]" 1
101 1 7 VAL HB 1 109 MET HA 5.070 . 5.070 4.762 4.635 4.974 . 0 0 "[ . 1]" 1
102 1 7 VAL H 1 109 MET HA 4.250 . 4.250 2.826 2.661 3.031 . 0 0 "[ . 1]" 1
103 1 7 VAL QG 1 109 MET ME 4.390 . 4.390 2.374 2.067 2.820 . 0 0 "[ . 1]" 1
104 1 7 VAL H 1 109 MET ME 4.840 . 4.840 5.261 4.935 5.785 0.945 1 5 "[+ - .** *1]" 1
105 1 7 VAL HB 1 109 MET QG 5.400 . 5.400 4.397 4.255 4.511 . 0 0 "[ . 1]" 1
106 1 7 VAL QG 1 109 MET QG 5.080 . 5.080 2.049 1.931 2.141 . 0 0 "[ . 1]" 1
107 1 7 VAL H 1 109 MET QG 5.290 . 5.290 3.837 3.539 4.117 . 0 0 "[ . 1]" 1
108 1 7 VAL H 1 110 VAL H 4.880 . 4.880 3.544 3.388 3.683 . 0 0 "[ . 1]" 1
109 1 8 ILE HA 1 8 ILE MD 3.960 . 3.960 2.437 2.357 2.541 . 0 0 "[ . 1]" 1
110 1 8 ILE HB 1 8 ILE MD 3.430 . 3.430 3.279 3.273 3.296 . 0 0 "[ . 1]" 1
111 1 8 ILE MD 1 8 ILE MG 2.600 . 2.600 2.066 2.042 2.172 . 0 0 "[ . 1]" 1
112 1 8 ILE H 1 8 ILE MD 3.970 . 3.970 3.362 3.292 3.466 . 0 0 "[ . 1]" 1
113 1 8 ILE HA 1 8 ILE QG 3.220 . 3.220 3.192 3.142 3.268 0.048 8 0 "[ . 1]" 1
114 1 8 ILE H 1 8 ILE QG 4.550 . 4.550 2.329 2.251 2.416 . 0 0 "[ . 1]" 1
115 1 8 ILE H 1 8 ILE HG12 4.460 . 4.460 2.350 2.269 2.440 . 0 0 "[ . 1]" 1
116 1 8 ILE HA 1 8 ILE MG 3.640 . 3.640 2.260 2.230 2.363 . 0 0 "[ . 1]" 1
117 1 8 ILE H 1 8 ILE MG 4.190 . 4.190 3.893 3.869 3.935 . 0 0 "[ . 1]" 1
118 1 8 ILE MD 1 9 VAL H 4.540 . 4.540 4.259 4.164 4.386 . 0 0 "[ . 1]" 1
119 1 8 ILE QG 1 9 VAL H 5.240 . 5.240 4.906 4.863 4.974 . 0 0 "[ . 1]" 1
120 1 8 ILE MG 1 9 VAL H 3.800 . 3.800 2.948 2.791 3.113 . 0 0 "[ . 1]" 1
121 1 8 ILE H 1 9 VAL H 5.310 . 5.310 4.286 4.225 4.347 . 0 0 "[ . 1]" 1
122 1 8 ILE MG 1 10 LEU HA 4.470 . 4.470 4.415 4.241 4.666 0.196 8 0 "[ . 1]" 1
123 1 8 ILE HA 1 10 LEU QD 4.300 . 4.300 3.776 3.665 3.938 . 0 0 "[ . 1]" 1
124 1 8 ILE MG 1 10 LEU QD 2.830 . 2.830 1.885 1.825 1.938 . 0 0 "[ . 1]" 1
125 1 8 ILE MG 1 10 LEU H 4.880 . 4.880 4.273 3.977 4.421 . 0 0 "[ . 1]" 1
126 1 8 ILE MD 1 25 PHE QE 5.500 . 5.500 5.066 4.210 6.141 0.641 9 3 "[* . - +1]" 1
127 1 8 ILE MD 1 26 LEU HA 4.870 . 4.870 5.631 5.399 5.917 1.047 7 10 [**-***+***] 1
128 1 8 ILE HG12 1 43 GLY H 5.160 . 5.160 3.629 3.442 4.204 . 0 0 "[ . 1]" 1
129 1 8 ILE HB 1 44 ILE HA 4.260 . 4.260 2.734 2.565 2.895 . 0 0 "[ . 1]" 1
130 1 8 ILE QG 1 44 ILE HA 5.500 . 5.500 3.744 3.576 3.911 . 0 0 "[ . 1]" 1
131 1 8 ILE MG 1 44 ILE HA 4.370 . 4.370 4.239 4.119 4.408 0.038 5 0 "[ . 1]" 1
132 1 8 ILE H 1 44 ILE HA 4.450 . 4.450 3.150 2.838 3.343 . 0 0 "[ . 1]" 1
133 1 8 ILE QG 1 44 ILE QG 3.320 . 3.320 3.220 2.765 3.443 0.123 6 0 "[ . 1]" 1
134 1 8 ILE H 1 44 ILE H 5.460 . 5.460 4.782 4.614 4.885 . 0 0 "[ . 1]" 1
135 1 8 ILE HB 1 45 VAL H 5.330 . 5.330 3.727 3.551 3.895 . 0 0 "[ . 1]" 1
136 1 8 ILE H 1 45 VAL H 4.700 . 4.700 3.846 3.744 3.957 . 0 0 "[ . 1]" 1
137 1 8 ILE MD 1 110 VAL HB 3.660 . 3.660 2.005 1.888 2.149 . 0 0 "[ . 1]" 1
138 1 8 ILE HA 1 110 VAL MG2 4.530 . 4.530 3.940 3.746 4.073 . 0 0 "[ . 1]" 1
139 1 8 ILE MD 1 110 VAL H 4.660 . 4.660 3.250 3.051 3.537 . 0 0 "[ . 1]" 1
140 1 9 VAL H 1 9 VAL HB 4.110 . 4.110 2.789 2.430 2.967 . 0 0 "[ . 1]" 1
141 1 9 VAL H 1 10 LEU QD 5.390 . 5.390 3.377 3.215 3.657 . 0 0 "[ . 1]" 1
142 1 9 VAL HA 1 10 LEU H 3.490 . 3.490 2.148 2.117 2.203 . 0 0 "[ . 1]" 1
143 1 9 VAL HA 1 45 VAL H 4.420 . 4.420 3.020 2.863 3.354 . 0 0 "[ . 1]" 1
144 1 9 VAL H 1 110 VAL HB 4.770 . 4.770 3.813 3.539 4.090 . 0 0 "[ . 1]" 1
145 1 9 VAL HB 1 110 VAL H 4.840 . 4.840 5.708 4.881 6.158 1.318 1 9 "[+* -******]" 1
146 1 9 VAL H 1 110 VAL H 4.410 . 4.410 3.884 3.704 4.028 . 0 0 "[ . 1]" 1
147 1 9 VAL HB 1 111 ILE HA 4.330 . 4.330 2.701 2.302 3.134 . 0 0 "[ . 1]" 1
148 1 9 VAL H 1 111 ILE HA 4.630 . 4.630 2.790 2.621 3.000 . 0 0 "[ . 1]" 1
149 1 9 VAL HB 1 111 ILE HG12 4.330 . 4.330 3.166 2.416 3.883 . 0 0 "[ . 1]" 1
150 1 9 VAL H 1 111 ILE HG12 5.500 . 5.500 4.748 4.242 5.162 . 0 0 "[ . 1]" 1
151 1 9 VAL HB 1 111 ILE MG 4.040 . 4.040 2.129 1.899 2.949 . 0 0 "[ . 1]" 1
152 1 9 VAL H 1 111 ILE MG 5.080 . 5.080 4.060 3.827 4.677 . 0 0 "[ . 1]" 1
153 1 9 VAL H 1 112 VAL QG 5.500 . 5.500 5.009 4.570 5.295 . 0 0 "[ . 1]" 1
154 1 9 VAL HB 1 112 VAL H 5.450 . 5.450 3.778 3.381 4.064 . 0 0 "[ . 1]" 1
155 1 9 VAL H 1 112 VAL H 5.050 . 5.050 4.279 4.146 4.349 . 0 0 "[ . 1]" 1
156 1 10 LEU HA 1 10 LEU QD 3.420 . 3.420 2.125 2.059 2.178 . 0 0 "[ . 1]" 1
157 1 10 LEU H 1 10 LEU QD . . 3.940 2.314 2.146 2.440 . 0 0 "[ . 1]" 1
158 1 10 LEU H 1 10 LEU HG 4.290 . 4.290 4.326 4.187 4.412 0.122 5 0 "[ . 1]" 1
159 1 10 LEU HB2 1 11 ASP H 5.000 . 5.000 3.793 3.600 4.028 . 0 0 "[ . 1]" 1
160 1 10 LEU QD 1 11 ASP H 4.190 . 4.190 3.479 3.337 3.615 . 0 0 "[ . 1]" 1
161 1 10 LEU H 1 11 ASP H 5.230 . 5.230 4.533 4.495 4.555 . 0 0 "[ . 1]" 1
162 1 10 LEU HB2 1 19 TRP HH2 5.500 . 5.500 2.957 2.531 3.661 . 0 0 "[ . 1]" 1
163 1 10 LEU QD 1 19 TRP HH2 . . 4.010 4.149 3.928 4.475 0.465 8 0 "[ . 1]" 1
164 1 10 LEU QD 1 19 TRP HZ2 . . 3.590 3.860 3.615 4.345 0.755 3 2 "[ + . - 1]" 1
165 1 10 LEU HG 1 19 TRP HZ2 4.580 . 4.580 4.000 3.286 4.634 0.054 8 0 "[ . 1]" 1
166 1 10 LEU QD 1 22 VAL QG 3.540 . 3.540 2.506 2.062 2.843 . 0 0 "[ . 1]" 1
167 1 10 LEU QD 1 26 LEU HG 3.700 . 3.700 3.365 3.164 3.589 . 0 0 "[ . 1]" 1
168 1 10 LEU HA 1 111 ILE HA 5.380 . 5.380 4.689 4.460 5.007 . 0 0 "[ . 1]" 1
169 1 10 LEU QD 1 111 ILE HA 5.500 . 5.500 3.897 3.509 4.549 . 0 0 "[ . 1]" 1
170 1 10 LEU HA 1 111 ILE MG 5.500 . 5.500 4.562 4.125 5.214 . 0 0 "[ . 1]" 1
171 1 10 LEU QD 1 112 VAL HB 3.600 . 3.600 2.616 2.004 3.221 . 0 0 "[ . 1]" 1
172 1 10 LEU HA 1 112 VAL H 4.570 . 4.570 3.341 3.193 3.681 . 0 0 "[ . 1]" 1
173 1 10 LEU QD 1 112 VAL H 4.540 . 4.540 3.313 3.016 3.745 . 0 0 "[ . 1]" 1
174 1 11 ASP HA 1 12 GLY QA 5.320 . 5.320 3.934 3.881 3.989 . 0 0 "[ . 1]" 1
175 1 11 ASP HA 1 12 GLY H 3.540 . 3.540 2.163 2.108 2.223 . 0 0 "[ . 1]" 1
176 1 11 ASP H 1 12 GLY H 4.920 . 4.920 4.394 4.285 4.522 . 0 0 "[ . 1]" 1
177 1 11 ASP HA 1 13 SER H 4.570 . 4.570 3.964 3.577 4.361 . 0 0 "[ . 1]" 1
178 1 11 ASP H 1 111 ILE MG 5.500 . 5.500 5.433 4.908 6.008 0.508 3 1 "[ + . 1]" 1
179 1 11 ASP H 1 112 VAL HB 4.740 . 4.740 4.497 3.520 5.156 0.416 2 0 "[ . 1]" 1
180 1 11 ASP H 1 112 VAL QG 4.350 . 4.350 2.045 1.771 2.306 0.029 8 0 "[ . 1]" 1
181 1 11 ASP H 1 112 VAL H 4.950 . 4.950 4.659 4.285 4.931 . 0 0 "[ . 1]" 1
182 1 12 GLY H 1 13 SER H 3.850 . 3.850 2.733 2.337 3.045 . 0 0 "[ . 1]" 1
183 1 12 GLY H 1 16 ILE MD 5.500 . 5.500 5.423 4.090 6.275 0.775 3 1 "[ + . 1]" 1
184 1 12 GLY QA 1 16 ILE MG 4.410 . 4.410 3.506 2.707 4.835 0.425 3 0 "[ . 1]" 1
185 1 12 GLY QA 1 19 TRP HE3 3.570 . 3.570 3.615 2.993 4.881 1.311 3 3 "[ *+ . -]" 1
186 1 12 GLY QA 1 19 TRP HZ3 5.330 . 5.330 2.073 1.818 2.823 . 0 0 "[ . 1]" 1
187 1 13 SER H 1 16 ILE MD 5.430 . 5.430 4.044 3.211 5.180 . 0 0 "[ . 1]" 1
188 1 13 SER H 1 16 ILE MG 5.500 . 5.500 4.071 2.985 5.009 . 0 0 "[ . 1]" 1
189 1 13 SER H 1 16 ILE H 5.460 . 5.460 4.503 3.966 5.107 . 0 0 "[ . 1]" 1
190 1 14 ASN H 1 15 SER H 4.390 . 4.390 2.570 1.948 3.387 . 0 0 "[ . 1]" 1
191 1 14 ASN H 1 78 GLY H 4.490 . 4.490 3.372 2.734 4.155 . 0 0 "[ . 1]" 1
192 1 15 SER H 1 16 ILE H 4.100 . 4.100 2.517 1.835 2.752 . 0 0 "[ . 1]" 1
193 1 16 ILE H 1 16 ILE HB 3.650 . 3.650 2.662 2.203 3.788 0.138 9 0 "[ . 1]" 1
194 1 16 ILE HA 1 16 ILE MD 3.790 . 3.790 2.695 2.079 4.173 0.383 9 0 "[ . 1]" 1
195 1 16 ILE MD 1 16 ILE MG 3.520 . 3.520 2.060 2.002 2.196 . 0 0 "[ . 1]" 1
196 1 16 ILE H 1 16 ILE MD 4.630 . 4.630 3.872 3.435 4.533 . 0 0 "[ . 1]" 1
197 1 16 ILE H 1 16 ILE MG 4.510 . 4.510 3.429 2.168 3.896 . 0 0 "[ . 1]" 1
198 1 16 ILE HA 1 17 TYR H 3.330 . 3.330 2.310 2.091 2.903 . 0 0 "[ . 1]" 1
199 1 16 ILE MD 1 17 TYR H 4.670 . 4.670 3.494 2.688 3.852 . 0 0 "[ . 1]" 1
200 1 16 ILE MG 1 17 TYR H 4.450 . 4.450 2.523 1.956 3.370 . 0 0 "[ . 1]" 1
201 1 16 ILE H 1 17 TYR H 5.100 . 5.100 4.429 4.068 4.532 . 0 0 "[ . 1]" 1
202 1 16 ILE MG 1 22 VAL QG 5.460 . 5.460 3.430 2.654 4.616 . 0 0 "[ . 1]" 1
203 1 18 PRO HB2 1 19 TRP H 4.670 . 4.670 3.579 3.054 4.213 . 0 0 "[ . 1]" 1
204 1 18 PRO HB2 1 20 ASP HB2 4.920 . 4.920 3.623 2.495 5.410 0.490 1 0 "[ . 1]" 1
205 1 18 PRO HA 1 20 ASP H 4.540 . 4.540 3.892 3.698 4.239 . 0 0 "[ . 1]" 1
206 1 18 PRO HB2 1 20 ASP H 3.730 . 3.730 2.772 2.297 3.567 . 0 0 "[ . 1]" 1
207 1 19 TRP H 1 19 TRP HB2 3.960 . 3.960 2.217 2.186 2.272 . 0 0 "[ . 1]" 1
208 1 19 TRP H 1 19 TRP HE3 4.780 . 4.780 3.913 3.750 4.059 . 0 0 "[ . 1]" 1
209 1 19 TRP HB2 1 20 ASP H 4.130 . 4.130 4.046 3.919 4.155 0.025 6 0 "[ . 1]" 1
210 1 19 TRP H 1 20 ASP H 3.760 . 3.760 2.751 2.621 2.854 . 0 0 "[ . 1]" 1
211 1 19 TRP HA 1 22 VAL QG 5.270 . 5.270 2.393 2.166 2.560 . 0 0 "[ . 1]" 1
212 1 19 TRP HE3 1 22 VAL QG 4.060 . 4.060 3.021 2.743 3.466 . 0 0 "[ . 1]" 1
213 1 19 TRP H 1 22 VAL QG 5.500 . 5.500 4.642 4.302 4.927 . 0 0 "[ . 1]" 1
214 1 19 TRP HE1 1 22 VAL QG 5.500 . 5.500 3.640 3.261 4.100 . 0 0 "[ . 1]" 1
215 1 19 TRP HH2 1 22 VAL QG 5.500 . 5.500 3.380 2.990 3.956 . 0 0 "[ . 1]" 1
216 1 19 TRP HA 1 22 VAL H 4.320 . 4.320 3.181 2.962 3.475 . 0 0 "[ . 1]" 1
217 1 19 TRP HD1 1 23 THR MG 3.480 . 3.480 2.117 1.997 2.337 . 0 0 "[ . 1]" 1
218 1 19 TRP HE1 1 23 THR MG 3.630 . 3.630 2.904 2.586 3.096 . 0 0 "[ . 1]" 1
219 1 19 TRP HZ2 1 73 ILE HB 5.260 . 5.260 4.379 4.010 4.605 . 0 0 "[ . 1]" 1
220 1 19 TRP HE1 1 73 ILE MG 4.340 . 4.340 4.281 3.747 4.727 0.387 5 0 "[ . 1]" 1
221 1 19 TRP HH2 1 73 ILE MG 4.230 . 4.230 4.907 4.014 5.312 1.082 2 9 "[*+ ***-***]" 1
222 1 19 TRP HZ2 1 73 ILE MG 3.070 . 3.070 3.504 2.369 3.859 0.789 2 5 "[-+ ** *1]" 1
223 1 19 TRP HB2 1 74 VAL HA 4.850 . 4.850 4.652 4.198 5.291 0.441 3 0 "[ . 1]" 1
224 1 19 TRP HD1 1 74 VAL HA 4.070 . 4.070 3.340 2.923 3.730 . 0 0 "[ . 1]" 1
225 1 19 TRP HE1 1 74 VAL HA 3.560 . 3.560 2.552 2.306 2.903 . 0 0 "[ . 1]" 1
226 1 19 TRP HE1 1 74 VAL HB 4.830 . 4.830 4.585 4.247 4.937 0.107 7 0 "[ . 1]" 1
227 1 19 TRP HE1 1 74 VAL MG1 4.380 . 4.380 2.952 2.662 3.199 . 0 0 "[ . 1]" 1
228 1 19 TRP HD1 1 75 GLN H 4.590 . 4.590 4.481 3.955 4.911 0.321 7 0 "[ . 1]" 1
229 1 19 TRP HE1 1 75 GLN H 4.660 . 4.660 4.037 3.595 4.462 . 0 0 "[ . 1]" 1
230 1 19 TRP HZ2 1 75 GLN H 5.500 . 5.500 4.151 3.624 4.882 . 0 0 "[ . 1]" 1
231 1 20 ASP H 1 20 ASP HB2 3.490 . 3.490 2.863 2.104 3.644 0.154 1 0 "[ . 1]" 1
232 1 20 ASP HB2 1 21 SER H 3.730 . 3.730 3.356 2.708 4.059 0.329 1 0 "[ . 1]" 1
233 1 20 ASP H 1 21 SER H 3.760 . 3.760 2.759 2.572 2.946 . 0 0 "[ . 1]" 1
234 1 20 ASP H 1 22 VAL H 5.350 . 5.350 4.296 3.873 4.698 . 0 0 "[ . 1]" 1
235 1 20 ASP HA 1 23 THR MG 4.040 . 4.040 3.836 3.631 4.123 0.083 3 0 "[ . 1]" 1
236 1 20 ASP HA 1 23 THR H 4.420 . 4.420 3.626 3.485 3.906 . 0 0 "[ . 1]" 1
237 1 21 SER H 1 21 SER HB2 3.820 . 3.820 2.773 2.401 3.584 . 0 0 "[ . 1]" 1
238 1 21 SER H 1 22 VAL HA 5.360 . 5.360 5.271 5.180 5.361 0.001 3 0 "[ . 1]" 1
239 1 21 SER H 1 22 VAL QG 4.450 . 4.450 3.839 3.633 4.182 . 0 0 "[ . 1]" 1
240 1 21 SER HB2 1 22 VAL H 4.530 . 4.530 2.764 2.454 3.425 . 0 0 "[ . 1]" 1
241 1 21 SER H 1 22 VAL H 3.630 . 3.630 2.618 2.490 2.749 . 0 0 "[ . 1]" 1
242 1 21 SER HA 1 24 ALA MB 3.600 . 3.600 2.762 2.445 3.076 . 0 0 "[ . 1]" 1
243 1 21 SER HA 1 24 ALA H 3.840 . 3.840 3.664 3.442 3.891 0.051 2 0 "[ . 1]" 1
244 1 21 SER HA 1 142 ILE MD 5.290 . 5.290 5.084 4.729 5.437 0.147 3 0 "[ . 1]" 1
245 1 21 SER HB2 1 142 ILE MD 4.190 . 4.190 3.186 2.508 3.899 . 0 0 "[ . 1]" 1
246 1 21 SER H 1 142 ILE MD 5.260 . 5.260 5.345 4.736 6.149 0.889 6 1 "[ .+ 1]" 1
247 1 22 VAL H 1 22 VAL HB 3.600 . 3.600 2.589 2.518 2.768 . 0 0 "[ . 1]" 1
248 1 22 VAL H 1 22 VAL QG 3.400 . 3.400 2.091 1.901 2.354 . 0 0 "[ . 1]" 1
249 1 22 VAL QG 1 23 THR HA 4.510 . 4.510 3.467 3.172 3.724 . 0 0 "[ . 1]" 1
250 1 22 VAL QG 1 23 THR HB 5.500 . 5.500 5.082 4.585 5.500 0.000 6 0 "[ . 1]" 1
251 1 22 VAL QG 1 23 THR MG 4.170 . 4.170 3.215 2.506 3.808 . 0 0 "[ . 1]" 1
252 1 22 VAL H 1 23 THR MG 5.300 . 5.300 4.575 4.362 4.724 . 0 0 "[ . 1]" 1
253 1 22 VAL HB 1 23 THR H 3.890 . 3.890 3.150 2.452 4.145 0.255 3 0 "[ . 1]" 1
254 1 22 VAL QG 1 23 THR H . . 4.110 2.886 2.308 3.281 . 0 0 "[ . 1]" 1
255 1 22 VAL H 1 23 THR H 3.450 . 3.450 2.616 2.538 2.682 . 0 0 "[ . 1]" 1
256 1 22 VAL HA 1 24 ALA H 4.740 . 4.740 4.397 4.149 4.522 . 0 0 "[ . 1]" 1
257 1 22 VAL QG 1 24 ALA H 5.500 . 5.500 4.519 4.192 4.707 . 0 0 "[ . 1]" 1
258 1 22 VAL QG 1 26 LEU QD . . 3.740 2.108 1.914 2.335 . 0 0 "[ . 1]" 1
259 1 22 VAL HA 1 26 LEU QD 5.500 . 5.500 3.553 3.356 3.796 . 0 0 "[ . 1]" 1
260 1 22 VAL HA 1 26 LEU HG 5.000 . 5.000 6.366 5.892 6.869 1.869 1 10 [+********-] 1
261 1 22 VAL QG 1 26 LEU HG 4.260 . 4.260 4.029 3.585 4.637 0.377 9 0 "[ . 1]" 1
262 1 22 VAL HA 1 26 LEU H 5.370 . 5.370 3.940 3.733 4.195 . 0 0 "[ . 1]" 1
263 1 22 VAL QG 1 26 LEU H 5.080 . 5.080 3.828 3.589 4.048 . 0 0 "[ . 1]" 1
264 1 22 VAL HA 1 142 ILE MD 4.340 . 4.340 4.644 3.954 5.298 0.958 3 3 "[ + -* 1]" 1
265 1 22 VAL H 1 142 ILE MD 4.760 . 4.760 4.834 3.969 5.762 1.002 6 2 "[ - .+ 1]" 1
266 1 23 THR H 1 23 THR HB 3.850 . 3.850 3.593 3.551 3.615 . 0 0 "[ . 1]" 1
267 1 23 THR HA 1 23 THR MG 3.240 . 3.240 2.237 2.154 2.331 . 0 0 "[ . 1]" 1
268 1 23 THR H 1 23 THR MG 3.540 . 3.540 2.566 2.450 2.673 . 0 0 "[ . 1]" 1
269 1 23 THR HA 1 24 ALA MB 5.500 . 5.500 5.038 5.017 5.069 . 0 0 "[ . 1]" 1
270 1 23 THR H 1 24 ALA MB 4.800 . 4.800 4.368 4.299 4.436 . 0 0 "[ . 1]" 1
271 1 23 THR MG 1 24 ALA H 4.820 . 4.820 4.143 4.086 4.234 . 0 0 "[ . 1]" 1
272 1 23 THR HA 1 26 LEU HB2 3.880 . 3.880 2.576 2.259 2.873 . 0 0 "[ . 1]" 1
273 1 23 THR HB 1 26 LEU HB2 5.400 . 5.400 4.898 4.471 5.209 . 0 0 "[ . 1]" 1
274 1 23 THR HA 1 26 LEU QD 3.350 . 3.350 3.514 2.860 3.929 0.579 10 3 "[ - . * +]" 1
275 1 23 THR HB 1 26 LEU QD 4.570 . 4.570 5.491 4.731 5.947 1.377 10 8 "[ *****-* +]" 1
276 1 23 THR HA 1 26 LEU HG 4.290 . 4.290 4.776 3.885 5.436 1.146 6 4 "[* .+* -1]" 1
277 1 23 THR HA 1 26 LEU H 4.300 . 4.300 3.461 3.264 3.695 . 0 0 "[ . 1]" 1
278 1 23 THR MG 1 71 LYS HA 4.230 . 4.230 1.965 1.823 2.467 . 0 0 "[ . 1]" 1
279 1 23 THR MG 1 71 LYS QB 4.090 . 4.090 2.562 2.189 2.837 . 0 0 "[ . 1]" 1
280 1 24 ALA H 1 24 ALA MB 2.820 . 2.820 2.241 2.231 2.246 . 0 0 "[ . 1]" 1
281 1 24 ALA MB 1 25 PHE H 3.760 . 3.760 2.486 2.416 2.565 . 0 0 "[ . 1]" 1
282 1 24 ALA H 1 25 PHE H 3.440 . 3.440 2.697 2.576 2.824 . 0 0 "[ . 1]" 1
283 1 24 ALA HA 1 26 LEU H 5.120 . 5.120 4.700 4.594 4.762 . 0 0 "[ . 1]" 1
284 1 24 ALA MB 1 26 LEU H 4.650 . 4.650 4.661 4.534 4.775 0.125 8 0 "[ . 1]" 1
285 1 24 ALA HA 1 27 ASN HD21 5.100 . 5.100 3.613 3.240 4.086 . 0 0 "[ . 1]" 1
286 1 24 ALA HA 1 27 ASN HD22 5.290 . 5.290 4.980 4.717 5.366 0.076 3 0 "[ . 1]" 1
287 1 24 ALA MB 1 28 ASP H 5.500 . 5.500 4.620 4.480 4.853 . 0 0 "[ . 1]" 1
288 1 25 PHE H 1 25 PHE HB2 3.510 . 3.510 2.495 2.372 2.581 . 0 0 "[ . 1]" 1
289 1 25 PHE HA 1 25 PHE QD 3.200 . 3.200 2.485 2.151 2.727 . 0 0 "[ . 1]" 1
290 1 25 PHE QD 1 26 LEU HA 4.550 . 4.550 3.983 3.579 4.568 0.018 9 0 "[ . 1]" 1
291 1 25 PHE QE 1 26 LEU HA 5.240 . 5.240 5.055 4.501 5.933 0.693 9 1 "[ . +1]" 1
292 1 25 PHE QD 1 26 LEU QD 4.020 . 4.020 2.282 1.874 3.106 . 0 0 "[ . 1]" 1
293 1 25 PHE QE 1 26 LEU QD 4.680 . 4.680 3.525 2.813 4.649 . 0 0 "[ . 1]" 1
294 1 25 PHE H 1 26 LEU QD 5.160 . 5.160 4.352 4.159 4.573 . 0 0 "[ . 1]" 1
295 1 25 PHE QD 1 26 LEU HG 4.150 . 4.150 5.079 4.781 5.751 1.601 9 10 [*******-+*] 1
296 1 25 PHE HB2 1 26 LEU H 4.050 . 4.050 3.812 3.730 3.918 . 0 0 "[ . 1]" 1
297 1 25 PHE H 1 26 LEU H 3.640 . 3.640 2.774 2.661 2.855 . 0 0 "[ . 1]" 1
298 1 25 PHE HA 1 28 ASP HB3 3.920 . 3.920 4.053 3.525 4.438 0.518 6 1 "[ .+ 1]" 1
299 1 25 PHE HA 1 28 ASP H 4.160 . 4.160 3.569 3.408 3.735 . 0 0 "[ . 1]" 1
300 1 25 PHE QD 1 29 LEU QD 4.600 . 4.600 4.162 3.858 4.367 . 0 0 "[ . 1]" 1
301 1 25 PHE QE 1 29 LEU QD 3.890 . 3.890 3.514 2.973 4.102 0.212 1 0 "[ . 1]" 1
302 1 25 PHE QD 1 112 VAL QG 5.180 . 5.180 4.597 3.948 5.407 0.227 8 0 "[ . 1]" 1
303 1 25 PHE QE 1 140 ILE MD 4.580 . 4.580 3.151 1.905 3.623 . 0 0 "[ . 1]" 1
304 1 25 PHE QD 1 140 ILE MG 4.400 . 4.400 3.924 3.470 4.334 . 0 0 "[ . 1]" 1
305 1 25 PHE QE 1 140 ILE MG 4.050 . 4.050 2.722 2.126 3.139 . 0 0 "[ . 1]" 1
306 1 25 PHE QD 1 175 VAL HA 5.500 . 5.500 3.337 3.003 3.803 . 0 0 "[ . 1]" 1
307 1 25 PHE QE 1 175 VAL HA 4.610 . 4.610 3.081 2.724 3.454 . 0 0 "[ . 1]" 1
308 1 25 PHE HA 1 175 VAL QG 5.000 . 5.000 3.973 3.549 4.209 . 0 0 "[ . 1]" 1
309 1 25 PHE HB2 1 175 VAL QG 4.110 . 4.110 2.174 1.996 2.455 . 0 0 "[ . 1]" 1
310 1 25 PHE QD 1 175 VAL QG 3.610 . 3.610 2.711 2.265 3.045 . 0 0 "[ . 1]" 1
311 1 25 PHE QE 1 175 VAL QG 4.640 . 4.640 3.326 2.879 3.601 . 0 0 "[ . 1]" 1
312 1 25 PHE H 1 175 VAL QG 4.630 . 4.630 3.923 3.650 4.257 . 0 0 "[ . 1]" 1
313 1 25 PHE QE 1 180 ALA MB 4.150 . 4.150 4.042 3.143 4.727 0.577 5 1 "[ + 1]" 1
314 1 25 PHE QD 1 181 LEU QD 3.700 . 3.700 3.174 2.914 3.395 . 0 0 "[ . 1]" 1
315 1 25 PHE QE 1 181 LEU QD 2.920 . 2.920 2.393 2.096 2.659 . 0 0 "[ . 1]" 1
316 1 26 LEU H 1 26 LEU HB2 3.470 . 3.470 2.173 2.132 2.202 . 0 0 "[ . 1]" 1
317 1 26 LEU HA 1 26 LEU QD 3.060 . 3.060 2.075 1.938 2.290 . 0 0 "[ . 1]" 1
318 1 26 LEU H 1 26 LEU QD 3.540 . 3.540 2.520 2.468 2.634 . 0 0 "[ . 1]" 1
319 1 26 LEU H 1 26 LEU HG 3.780 . 3.780 4.143 3.979 4.268 0.488 1 0 "[ . 1]" 1
320 1 26 LEU HB2 1 27 ASN H 3.830 . 3.830 2.946 2.838 3.022 . 0 0 "[ . 1]" 1
321 1 26 LEU QD 1 27 ASN H 4.240 . 4.240 4.053 4.005 4.114 . 0 0 "[ . 1]" 1
322 1 26 LEU H 1 27 ASN H 3.770 . 3.770 2.704 2.637 2.770 . 0 0 "[ . 1]" 1
323 1 26 LEU HA 1 28 ASP H 5.270 . 5.270 4.510 4.430 4.590 . 0 0 "[ . 1]" 1
324 1 26 LEU HA 1 29 LEU QD 4.350 . 4.350 2.990 2.808 3.246 . 0 0 "[ . 1]" 1
325 1 26 LEU QD 1 29 LEU QD 3.170 . 3.170 2.493 2.058 3.128 . 0 0 "[ . 1]" 1
326 1 26 LEU HA 1 29 LEU H 4.330 . 4.330 3.309 3.226 3.395 . 0 0 "[ . 1]" 1
327 1 26 LEU HA 1 70 ALA MB 5.110 . 5.110 4.353 4.064 4.631 . 0 0 "[ . 1]" 1
328 1 26 LEU QD 1 70 ALA MB . . 3.110 2.212 1.846 2.610 . 0 0 "[ . 1]" 1
329 1 26 LEU HG 1 70 ALA MB 5.470 . 5.470 2.585 2.027 3.486 . 0 0 "[ . 1]" 1
330 1 26 LEU H 1 70 ALA MB 4.940 . 4.940 4.934 4.538 5.562 0.622 9 1 "[ . +1]" 1
331 1 27 ASN H 1 27 ASN HB2 3.820 . 3.820 2.698 2.424 2.770 . 0 0 "[ . 1]" 1
332 1 27 ASN H 1 27 ASN HD21 5.090 . 5.090 4.336 4.218 4.805 . 0 0 "[ . 1]" 1
333 1 27 ASN HA 1 27 ASN HD22 4.850 . 4.850 4.716 4.527 4.791 . 0 0 "[ . 1]" 1
334 1 27 ASN HB2 1 27 ASN HD22 4.030 . 4.030 4.089 4.049 4.106 0.076 2 0 "[ . 1]" 1
335 1 27 ASN HD21 1 28 ASP HA 4.340 . 4.340 3.464 3.197 3.969 . 0 0 "[ . 1]" 1
336 1 27 ASN HD22 1 28 ASP HA 4.310 . 4.310 4.020 3.839 5.073 0.763 3 1 "[ + . 1]" 1
337 1 27 ASN HB2 1 28 ASP H 4.080 . 4.080 3.956 3.818 4.008 . 0 0 "[ . 1]" 1
338 1 27 ASN HD21 1 28 ASP H 4.440 . 4.440 2.920 2.728 3.718 . 0 0 "[ . 1]" 1
339 1 27 ASN HD22 1 28 ASP H 4.350 . 4.350 4.390 4.186 5.195 0.845 3 1 "[ + . 1]" 1
340 1 27 ASN HA 1 30 LEU H 5.500 . 5.500 3.679 3.507 3.842 . 0 0 "[ . 1]" 1
341 1 27 ASN H 1 70 ALA MB 5.450 . 5.450 4.558 3.968 5.217 . 0 0 "[ . 1]" 1
342 1 28 ASP HA 1 29 LEU HA 5.360 . 5.360 4.781 4.727 4.821 . 0 0 "[ . 1]" 1
343 1 28 ASP H 1 29 LEU H 3.480 . 3.480 2.621 2.548 2.765 . 0 0 "[ . 1]" 1
344 1 28 ASP HA 1 31 GLU H 4.360 . 4.360 3.567 3.454 3.778 . 0 0 "[ . 1]" 1
345 1 28 ASP HB3 1 181 LEU QD . . 3.040 2.419 2.096 2.636 . 0 0 "[ . 1]" 1
346 1 28 ASP HA 1 181 LEU QD 5.060 . 5.060 4.248 3.971 4.485 . 0 0 "[ . 1]" 1
347 1 28 ASP H 1 181 LEU QD 4.750 . 4.750 4.368 4.059 4.558 . 0 0 "[ . 1]" 1
348 1 29 LEU H 1 29 LEU HB2 3.470 . 3.470 2.660 2.559 2.713 . 0 0 "[ . 1]" 1
349 1 29 LEU HA 1 29 LEU QD 3.350 . 3.350 2.217 2.148 2.271 . 0 0 "[ . 1]" 1
350 1 29 LEU HG 1 30 LEU HA 5.460 . 5.460 3.442 3.286 3.652 . 0 0 "[ . 1]" 1
351 1 29 LEU QD 1 30 LEU QB 3.990 . 3.990 4.610 4.464 4.729 0.739 2 9 "[*+***- ***]" 1
352 1 29 LEU HB2 1 30 LEU H 3.670 . 3.670 3.829 3.791 3.854 0.184 10 0 "[ . 1]" 1
353 1 29 LEU QD 1 30 LEU H 3.640 . 3.640 3.658 3.567 3.746 0.106 3 0 "[ . 1]" 1
354 1 29 LEU HG 1 30 LEU H 4.420 . 4.420 3.352 3.164 3.497 . 0 0 "[ . 1]" 1
355 1 29 LEU QD 1 31 GLU H 5.500 . 5.500 5.146 5.054 5.234 . 0 0 "[ . 1]" 1
356 1 29 LEU HA 1 32 ARG HD2 4.240 . 4.240 3.422 3.259 3.809 . 0 0 "[ . 1]" 1
357 1 29 LEU HA 1 32 ARG H 5.340 . 5.340 3.662 3.591 3.745 . 0 0 "[ . 1]" 1
358 1 29 LEU QD 1 32 ARG H 5.400 . 5.400 4.568 4.418 4.794 . 0 0 "[ . 1]" 1
359 1 29 LEU QD 1 33 MET ME 2.620 . 2.620 1.994 1.851 2.325 . 0 0 "[ . 1]" 1
360 1 29 LEU HG 1 33 MET ME 5.170 . 5.170 3.284 2.682 3.976 . 0 0 "[ . 1]" 1
361 1 29 LEU HA 1 181 LEU QD 2.820 . 2.820 2.121 1.947 2.400 . 0 0 "[ . 1]" 1
362 1 29 LEU H 1 181 LEU QD 3.610 . 3.610 3.130 2.846 3.340 . 0 0 "[ . 1]" 1
363 1 30 LEU H 1 30 LEU QB 3.530 . 3.530 2.230 2.136 2.289 . 0 0 "[ . 1]" 1
364 1 30 LEU HA 1 32 ARG H 5.260 . 5.260 3.994 3.829 4.321 . 0 0 "[ . 1]" 1
365 1 30 LEU HA 1 33 MET QG 4.050 . 4.050 3.114 2.602 3.728 . 0 0 "[ . 1]" 1
366 1 30 LEU HA 1 33 MET H 3.990 . 3.990 2.980 2.836 3.190 . 0 0 "[ . 1]" 1
367 1 31 GLU QB 1 32 ARG H 4.060 . 4.060 2.750 2.566 3.012 . 0 0 "[ . 1]" 1
368 1 31 GLU H 1 32 ARG H 3.710 . 3.710 2.679 2.411 2.788 . 0 0 "[ . 1]" 1
369 1 31 GLU HA 1 33 MET H 4.660 . 4.660 4.273 4.115 4.745 0.085 3 0 "[ . 1]" 1
370 1 31 GLU HA 1 63 THR MG 2.980 . 2.980 2.793 2.421 3.606 0.626 3 1 "[ + . 1]" 1
371 1 31 GLU QB 1 63 THR MG 3.830 . 3.830 4.379 4.052 5.022 1.192 3 5 "[- + * **1]" 1
372 1 31 GLU H 1 63 THR MG 4.550 . 4.550 4.263 4.101 4.911 0.361 3 0 "[ . 1]" 1
373 1 32 ARG HB2 1 32 ARG HD2 3.760 . 3.760 2.463 2.383 2.600 . 0 0 "[ . 1]" 1
374 1 32 ARG H 1 32 ARG HD2 4.770 . 4.770 3.974 3.729 4.258 . 0 0 "[ . 1]" 1
375 1 32 ARG HA 1 32 ARG HG2 3.940 . 3.940 2.578 2.472 2.681 . 0 0 "[ . 1]" 1
376 1 32 ARG H 1 32 ARG HG2 4.140 . 4.140 4.001 3.851 4.208 0.068 2 0 "[ . 1]" 1
377 1 32 ARG HB2 1 33 MET HA 5.440 . 5.440 4.651 4.567 4.816 . 0 0 "[ . 1]" 1
378 1 32 ARG H 1 33 MET HB2 5.120 . 5.120 4.430 4.295 4.576 . 0 0 "[ . 1]" 1
379 1 32 ARG H 1 33 MET ME 4.930 . 4.930 6.013 5.812 6.239 1.309 3 10 [**+**-****] 1
380 1 32 ARG H 1 33 MET QG 4.910 . 4.910 4.312 4.166 4.463 . 0 0 "[ . 1]" 1
381 1 32 ARG H 1 33 MET H 3.300 . 3.300 2.356 2.260 2.492 . 0 0 "[ . 1]" 1
382 1 32 ARG HD2 1 181 LEU QD 4.780 . 4.780 2.646 2.035 3.480 . 0 0 "[ . 1]" 1
383 1 32 ARG HD2 1 182 VAL H 5.500 . 5.500 5.063 4.758 5.496 . 0 0 "[ . 1]" 1
384 1 33 MET H 1 33 MET HB2 3.670 . 3.670 2.325 2.266 2.389 . 0 0 "[ . 1]" 1
385 1 33 MET HA 1 33 MET ME 3.810 . 3.810 4.128 3.918 4.489 0.679 2 3 "[ + - *1]" 1
386 1 33 MET ME 1 33 MET QG 3.200 . 3.200 2.212 2.202 2.219 . 0 0 "[ . 1]" 1
387 1 33 MET H 1 33 MET ME 4.370 . 4.370 4.806 4.605 5.066 0.696 5 3 "[ - + *1]" 1
388 1 33 MET HA 1 33 MET QG 3.870 . 3.870 2.727 2.301 2.968 . 0 0 "[ . 1]" 1
389 1 33 MET H 1 33 MET QG 3.790 . 3.790 2.730 2.670 2.855 . 0 0 "[ . 1]" 1
390 1 33 MET HA 1 34 ASP H 3.200 . 3.200 2.130 2.043 2.251 . 0 0 "[ . 1]" 1
391 1 33 MET HB2 1 34 ASP H 4.290 . 4.290 4.289 3.993 4.449 0.159 3 0 "[ . 1]" 1
392 1 33 MET ME 1 34 ASP H 4.540 . 4.540 5.430 5.042 5.791 1.251 5 10 [-***+*****] 1
393 1 33 MET QG 1 34 ASP H 4.700 . 4.700 4.320 3.736 4.744 0.044 3 0 "[ . 1]" 1
394 1 33 MET H 1 34 ASP H 4.600 . 4.600 4.526 4.412 4.627 0.027 7 0 "[ . 1]" 1
395 1 33 MET H 1 35 ILE MD 4.200 . 4.200 4.773 4.491 5.212 1.012 3 6 "[ *+** -*]" 1
396 1 33 MET HB2 1 35 ILE QG 5.390 . 5.390 3.369 2.948 4.229 . 0 0 "[ . 1]" 1
397 1 33 MET ME 1 184 ILE MG 3.770 . 3.770 3.431 2.552 4.742 0.972 4 1 "[ +. 1]" 1
398 1 33 MET ME 1 185 VAL HA 3.930 . 3.930 4.535 3.548 6.285 2.355 4 5 "[ * +* *-1]" 1
399 1 33 MET ME 1 185 VAL QG . . 2.710 3.097 2.282 4.157 1.447 4 5 "[ * +* *-1]" 1
400 1 34 ASP H 1 34 ASP QB 3.690 . 3.690 2.326 2.136 2.554 . 0 0 "[ . 1]" 1
401 1 34 ASP H 1 35 ILE MD 5.460 . 5.460 4.564 3.305 5.453 . 0 0 "[ . 1]" 1
402 1 34 ASP QB 1 35 ILE H 4.650 . 4.650 3.801 3.513 4.093 . 0 0 "[ . 1]" 1
403 1 34 ASP H 1 35 ILE H 4.880 . 4.880 4.137 3.821 4.420 . 0 0 "[ . 1]" 1
404 1 34 ASP QB 1 39 GLN QE 4.280 . 4.280 2.797 2.400 3.900 . 0 0 "[ . 1]" 1
405 1 34 ASP QB 1 39 GLN QG 4.640 . 4.640 3.889 3.555 5.286 0.646 3 1 "[ + . 1]" 1
406 1 34 ASP H 1 40 THR MG 5.500 . 5.500 3.246 2.866 3.693 . 0 0 "[ . 1]" 1
407 1 35 ILE H 1 35 ILE HB 3.590 . 3.590 2.715 2.499 2.902 . 0 0 "[ . 1]" 1
408 1 35 ILE HB 1 35 ILE MD 3.160 . 3.160 2.829 2.356 3.301 0.141 3 0 "[ . 1]" 1
409 1 35 ILE H 1 35 ILE MD 3.690 . 3.690 3.459 3.043 3.936 0.246 9 0 "[ . 1]" 1
410 1 35 ILE H 1 35 ILE QG 4.190 . 4.190 2.306 2.074 2.620 . 0 0 "[ . 1]" 1
411 1 35 ILE HA 1 36 GLY H 3.230 . 3.230 2.190 2.109 2.255 . 0 0 "[ . 1]" 1
412 1 35 ILE QG 1 36 GLY H 5.310 . 5.310 4.702 4.366 4.944 . 0 0 "[ . 1]" 1
413 1 35 ILE MG 1 36 GLY H 3.510 . 3.510 3.457 3.100 3.664 0.154 7 0 "[ . 1]" 1
414 1 35 ILE H 1 36 GLY H 5.090 . 5.090 3.982 3.769 4.348 . 0 0 "[ . 1]" 1
415 1 35 ILE HA 1 37 PRO QD 5.300 . 5.300 5.275 4.532 6.001 0.701 3 2 "[- + . 1]" 1
416 1 35 ILE MG 1 39 GLN H 5.500 . 5.500 3.790 3.210 4.466 . 0 0 "[ . 1]" 1
417 1 35 ILE MD 1 40 THR HA 5.500 . 5.500 4.933 4.192 5.963 0.463 1 0 "[ . 1]" 1
418 1 35 ILE HA 1 40 THR HB 4.600 . 4.600 2.840 2.095 3.370 . 0 0 "[ . 1]" 1
419 1 35 ILE MD 1 40 THR HB 3.880 . 3.880 2.823 1.836 4.121 0.241 1 0 "[ . 1]" 1
420 1 35 ILE QG 1 40 THR HB 5.050 . 5.050 3.058 1.942 4.125 . 0 0 "[ . 1]" 1
421 1 35 ILE H 1 40 THR MG 5.450 . 5.450 4.956 4.339 5.421 . 0 0 "[ . 1]" 1
422 1 35 ILE MG 1 40 THR H 5.350 . 5.350 5.295 4.952 5.590 0.240 5 0 "[ . 1]" 1
423 1 35 ILE MG 1 41 GLN HA 4.660 . 4.660 3.989 3.404 4.549 . 0 0 "[ . 1]" 1
424 1 35 ILE MD 1 42 VAL H 4.080 . 4.080 4.034 3.408 4.623 0.543 6 1 "[ .+ 1]" 1
425 1 35 ILE MG 1 61 SER H 5.500 . 5.500 3.989 3.371 4.883 . 0 0 "[ . 1]" 1
426 1 35 ILE HB 1 62 SER HA 4.230 . 4.230 3.165 2.801 3.608 . 0 0 "[ . 1]" 1
427 1 35 ILE MG 1 62 SER HA 3.300 . 3.300 2.478 2.295 2.811 . 0 0 "[ . 1]" 1
428 1 35 ILE MG 1 62 SER H 3.770 . 3.770 3.533 2.711 3.771 0.001 7 0 "[ . 1]" 1
429 1 35 ILE H 1 63 THR HA 4.970 . 4.970 4.240 3.571 4.776 . 0 0 "[ . 1]" 1
430 1 35 ILE HB 1 63 THR HB 4.090 . 4.090 4.043 3.885 4.198 0.108 5 0 "[ . 1]" 1
431 1 35 ILE QG 1 63 THR HB 4.990 . 4.990 4.668 4.162 5.185 0.195 6 0 "[ . 1]" 1
432 1 35 ILE H 1 63 THR HB 4.740 . 4.740 4.590 4.181 4.998 0.258 8 0 "[ . 1]" 1
433 1 35 ILE H 1 63 THR MG 4.130 . 4.130 3.578 2.877 4.024 . 0 0 "[ . 1]" 1
434 1 35 ILE HB 1 63 THR H 4.080 . 4.080 2.382 2.105 2.631 . 0 0 "[ . 1]" 1
435 1 35 ILE MD 1 63 THR H 4.380 . 4.380 4.479 3.769 5.385 1.005 3 5 "[ *+ * -* 1]" 1
436 1 35 ILE MG 1 63 THR H 4.270 . 4.270 3.363 3.230 3.713 . 0 0 "[ . 1]" 1
437 1 35 ILE H 1 63 THR H 4.310 . 4.310 4.096 3.892 4.324 0.014 8 0 "[ . 1]" 1
438 1 35 ILE MD 1 66 VAL HA 5.310 . 5.310 5.382 4.635 6.393 1.083 7 3 "[ - . +* 1]" 1
439 1 35 ILE HB 1 66 VAL QG 5.240 . 5.240 3.702 3.347 4.109 . 0 0 "[ . 1]" 1
440 1 35 ILE MD 1 66 VAL QG 3.000 . 3.000 2.289 1.859 2.891 . 0 0 "[ . 1]" 1
441 1 35 ILE MG 1 66 VAL QG 2.800 . 2.800 2.236 2.021 2.659 . 0 0 "[ . 1]" 1
442 1 35 ILE MD 1 66 VAL H 4.220 . 4.220 4.686 3.764 5.705 1.485 7 5 "[ ** - +* 1]" 1
443 1 36 GLY H 1 39 GLN QG 5.310 . 5.310 2.094 1.636 2.345 0.164 1 0 "[ . 1]" 1
444 1 36 GLY H 1 39 GLN H 5.110 . 5.110 3.349 3.168 3.601 . 0 0 "[ . 1]" 1
445 1 36 GLY HA2 1 62 SER HA 5.060 . 5.060 4.397 3.317 5.304 0.244 5 0 "[ . 1]" 1
446 1 37 PRO HB2 1 38 LYS QG 4.660 . 4.660 3.814 2.203 5.334 0.674 2 2 "[ + . -]" 1
447 1 37 PRO QD 1 38 LYS H 5.330 . 5.330 2.343 2.041 2.751 . 0 0 "[ . 1]" 1
448 1 37 PRO HG2 1 38 LYS H 4.840 . 4.840 3.190 2.130 4.303 . 0 0 "[ . 1]" 1
449 1 37 PRO HA 1 39 GLN H 5.230 . 5.230 5.127 4.718 5.440 0.210 4 0 "[ . 1]" 1
450 1 38 LYS H 1 38 LYS HB2 3.850 . 3.850 3.463 2.760 4.036 0.186 9 0 "[ . 1]" 1
451 1 38 LYS H 1 39 GLN QG 4.790 . 4.790 3.277 2.807 3.640 . 0 0 "[ . 1]" 1
452 1 38 LYS H 1 39 GLN H 3.250 . 3.250 2.395 1.926 2.699 . 0 0 "[ . 1]" 1
453 1 39 GLN H 1 39 GLN HB2 3.780 . 3.780 3.868 3.664 3.981 0.201 3 0 "[ . 1]" 1
454 1 39 GLN HA 1 39 GLN QE 4.730 . 4.730 4.294 3.886 4.527 . 0 0 "[ . 1]" 1
455 1 39 GLN H 1 39 GLN QG 3.830 . 3.830 2.583 2.370 2.757 . 0 0 "[ . 1]" 1
456 1 39 GLN HA 1 40 THR HA 4.430 . 4.430 4.358 4.312 4.403 . 0 0 "[ . 1]" 1
457 1 39 GLN HB2 1 40 THR HA 4.840 . 4.840 4.563 4.203 4.669 . 0 0 "[ . 1]" 1
458 1 39 GLN QE 1 40 THR HA 5.070 . 5.070 4.330 4.121 4.575 . 0 0 "[ . 1]" 1
459 1 39 GLN QE 1 40 THR MG 5.500 . 5.500 3.823 3.474 4.483 . 0 0 "[ . 1]" 1
460 1 39 GLN HB2 1 40 THR H 3.670 . 3.670 2.554 2.478 2.619 . 0 0 "[ . 1]" 1
461 1 39 GLN QE 1 40 THR H 4.970 . 4.970 3.430 3.313 3.632 . 0 0 "[ . 1]" 1
462 1 39 GLN QG 1 40 THR H 4.890 . 4.890 3.663 3.423 4.002 . 0 0 "[ . 1]" 1
463 1 39 GLN H 1 40 THR H 4.490 . 4.490 4.414 4.333 4.543 0.053 5 0 "[ . 1]" 1
464 1 40 THR H 1 40 THR HB 4.080 . 4.080 3.734 3.659 3.816 . 0 0 "[ . 1]" 1
465 1 40 THR HA 1 40 THR MG 3.550 . 3.550 2.278 2.237 2.354 . 0 0 "[ . 1]" 1
466 1 40 THR H 1 40 THR MG 4.400 . 4.400 3.799 3.628 3.934 . 0 0 "[ . 1]" 1
467 1 40 THR HB 1 41 GLN H 4.680 . 4.680 4.425 4.002 4.514 . 0 0 "[ . 1]" 1
468 1 40 THR H 1 41 GLN H 5.420 . 5.420 3.237 2.804 3.368 . 0 0 "[ . 1]" 1
469 1 41 GLN HA 1 42 VAL H 3.410 . 3.410 2.147 2.047 2.211 . 0 0 "[ . 1]" 1
470 1 41 GLN H 1 42 VAL H 4.610 . 4.610 4.438 4.392 4.464 . 0 0 "[ . 1]" 1
471 1 42 VAL H 1 42 VAL HB 3.760 . 3.760 3.050 2.547 3.711 . 0 0 "[ . 1]" 1
472 1 42 VAL H 1 42 VAL QG 4.150 . 4.150 2.431 2.021 2.771 . 0 0 "[ . 1]" 1
473 1 42 VAL HA 1 43 GLY H 3.450 . 3.450 2.129 2.090 2.189 . 0 0 "[ . 1]" 1
474 1 42 VAL HB 1 43 GLY H 4.770 . 4.770 3.900 3.392 4.276 . 0 0 "[ . 1]" 1
475 1 42 VAL QG 1 43 GLY H 4.000 . 4.000 2.996 2.623 3.520 . 0 0 "[ . 1]" 1
476 1 42 VAL H 1 43 GLY H 4.780 . 4.780 4.296 4.223 4.333 . 0 0 "[ . 1]" 1
477 1 43 GLY QA 1 44 ILE H 3.510 . 3.510 2.196 2.145 2.268 . 0 0 "[ . 1]" 1
478 1 43 GLY H 1 44 ILE H 4.670 . 4.670 4.528 4.471 4.609 . 0 0 "[ . 1]" 1
479 1 44 ILE H 1 44 ILE MD 4.910 . 4.910 2.575 2.101 3.776 . 0 0 "[ . 1]" 1
480 1 44 ILE H 1 44 ILE MG 4.080 . 4.080 3.888 3.845 3.971 . 0 0 "[ . 1]" 1
481 1 44 ILE HA 1 45 VAL MG2 4.400 . 4.400 3.609 3.480 3.689 . 0 0 "[ . 1]" 1
482 1 44 ILE H 1 45 VAL MG2 4.610 . 4.610 3.861 3.600 4.057 . 0 0 "[ . 1]" 1
483 1 44 ILE HA 1 45 VAL H 3.570 . 3.570 2.094 2.062 2.137 . 0 0 "[ . 1]" 1
484 1 44 ILE MD 1 45 VAL H 5.110 . 5.110 5.213 5.100 5.357 0.247 6 0 "[ . 1]" 1
485 1 44 ILE MG 1 45 VAL H 3.670 . 3.670 2.826 2.730 3.015 . 0 0 "[ . 1]" 1
486 1 44 ILE H 1 45 VAL H 4.610 . 4.610 4.322 4.230 4.412 . 0 0 "[ . 1]" 1
487 1 44 ILE MG 1 54 GLU H 4.740 . 4.740 5.155 4.625 6.042 1.302 3 3 "[* + . - 1]" 1
488 1 44 ILE MD 1 70 ALA HA 4.570 . 4.570 2.714 1.921 3.572 . 0 0 "[ . 1]" 1
489 1 44 ILE MD 1 70 ALA MB 3.070 . 3.070 2.681 2.309 3.100 0.030 2 0 "[ . 1]" 1
490 1 44 ILE MD 1 73 ILE MD 3.030 . 3.030 2.715 2.126 3.127 0.097 4 0 "[ . 1]" 1
491 1 44 ILE MG 1 73 ILE MD 3.530 . 3.530 2.225 2.054 2.455 . 0 0 "[ . 1]" 1
492 1 44 ILE HA 1 73 ILE MG 5.400 . 5.400 5.694 5.493 6.095 0.695 2 2 "[ + . - 1]" 1
493 1 44 ILE HB 1 73 ILE MG 4.570 . 4.570 4.155 3.931 4.513 . 0 0 "[ . 1]" 1
494 1 44 ILE MG 1 73 ILE H 4.740 . 4.740 4.564 4.167 5.075 0.335 3 0 "[ . 1]" 1
495 1 44 ILE HA 1 94 ALA MB 5.500 . 5.500 6.051 5.778 6.273 0.773 7 5 "[- *. +**1]" 1
496 1 44 ILE H 1 94 ALA MB 5.500 . 5.500 5.579 5.069 6.220 0.720 1 1 "[+ . 1]" 1
497 1 45 VAL H 1 45 VAL HB 4.040 . 4.040 2.679 2.633 2.719 . 0 0 "[ . 1]" 1
498 1 45 VAL HA 1 45 VAL MG1 3.330 . 3.330 2.403 2.351 2.513 . 0 0 "[ . 1]" 1
499 1 45 VAL HA 1 45 VAL MG2 3.270 . 3.270 2.503 2.439 2.566 . 0 0 "[ . 1]" 1
500 1 45 VAL H 1 45 VAL MG2 3.380 . 3.380 2.795 2.694 2.874 . 0 0 "[ . 1]" 1
501 1 45 VAL HA 1 46 GLN HA 5.300 . 5.300 4.430 4.384 4.513 . 0 0 "[ . 1]" 1
502 1 45 VAL MG1 1 46 GLN HA 4.190 . 4.190 3.813 3.721 3.908 . 0 0 "[ . 1]" 1
503 1 45 VAL HA 1 46 GLN H 3.330 . 3.330 2.182 2.152 2.265 . 0 0 "[ . 1]" 1
504 1 45 VAL HB 1 46 GLN H 4.700 . 4.700 4.087 3.994 4.176 . 0 0 "[ . 1]" 1
505 1 45 VAL MG1 1 46 GLN H 3.900 . 3.900 2.533 2.442 2.617 . 0 0 "[ . 1]" 1
506 1 45 VAL HA 1 53 HIS HA 3.530 . 3.530 2.949 2.644 3.300 . 0 0 "[ . 1]" 1
507 1 45 VAL MG2 1 53 HIS HA 4.470 . 4.470 3.633 3.231 4.003 . 0 0 "[ . 1]" 1
508 1 45 VAL MG1 1 89 THR MG 4.010 . 4.010 4.052 3.517 4.563 0.553 2 2 "[ + . - 1]" 1
509 1 45 VAL MG1 1 90 ALA HA 4.420 . 4.420 3.484 3.078 4.133 . 0 0 "[ . 1]" 1
510 1 45 VAL MG2 1 90 ALA HA 3.800 . 3.800 3.379 3.098 3.684 . 0 0 "[ . 1]" 1
511 1 45 VAL MG1 1 90 ALA MB 3.470 . 3.470 3.222 2.759 4.058 0.588 1 1 "[+ . 1]" 1
512 1 45 VAL MG1 1 90 ALA H 4.540 . 4.540 4.546 4.271 5.178 0.638 1 1 "[+ . 1]" 1
513 1 45 VAL MG2 1 94 ALA HA 5.390 . 5.390 4.181 3.975 4.363 . 0 0 "[ . 1]" 1
514 1 45 VAL MG2 1 94 ALA MB 3.620 . 3.620 2.167 2.003 2.394 . 0 0 "[ . 1]" 1
515 1 45 VAL MG2 1 94 ALA H 5.040 . 5.040 4.455 3.848 5.212 0.172 7 0 "[ . 1]" 1
516 1 46 GLN HA 1 47 TYR H 3.430 . 3.430 2.216 2.181 2.281 . 0 0 "[ . 1]" 1
517 1 46 GLN QB 1 47 TYR H 4.040 . 4.040 3.382 2.834 3.872 . 0 0 "[ . 1]" 1
518 1 46 GLN HG2 1 47 TYR H 4.500 . 4.500 3.540 2.452 5.229 0.729 9 2 "[- . +1]" 1
519 1 46 GLN HA 1 51 VAL MG1 4.820 . 4.820 5.170 4.689 5.404 0.584 2 4 "[ + * - *]" 1
520 1 46 GLN QB 1 52 THR HB 4.550 . 4.550 3.306 2.211 4.247 . 0 0 "[ . 1]" 1
521 1 46 GLN H 1 52 THR HB 4.490 . 4.490 3.807 3.356 4.250 . 0 0 "[ . 1]" 1
522 1 46 GLN QB 1 52 THR MG 3.500 . 3.500 4.441 3.423 5.256 1.756 7 6 "[* -*.*+ *1]" 1
523 1 46 GLN H 1 52 THR MG 4.030 . 4.030 4.828 4.214 5.341 1.311 7 9 "[* **-*+***]" 1
524 1 46 GLN H 1 53 HIS HA 4.340 . 4.340 3.672 3.482 3.866 . 0 0 "[ . 1]" 1
525 1 47 TYR H 1 47 TYR QD 4.490 . 4.490 2.636 2.349 2.989 . 0 0 "[ . 1]" 1
526 1 47 TYR HA 1 48 GLY H 3.470 . 3.470 2.271 2.111 2.474 . 0 0 "[ . 1]" 1
527 1 47 TYR QD 1 48 GLY H 5.490 . 5.490 3.171 2.627 3.719 . 0 0 "[ . 1]" 1
528 1 47 TYR H 1 48 GLY H 4.960 . 4.960 4.456 4.375 4.504 . 0 0 "[ . 1]" 1
529 1 47 TYR HA 1 50 ASN H 4.370 . 4.370 4.412 4.008 4.782 0.412 3 0 "[ . 1]" 1
530 1 47 TYR HA 1 51 VAL HA 4.050 . 4.050 2.466 2.080 2.804 . 0 0 "[ . 1]" 1
531 1 47 TYR HA 1 51 VAL MG1 4.880 . 4.880 3.568 2.802 3.855 . 0 0 "[ . 1]" 1
532 1 47 TYR HA 1 51 VAL MG2 4.610 . 4.610 3.319 2.671 3.748 . 0 0 "[ . 1]" 1
533 1 47 TYR HA 1 51 VAL H 5.280 . 5.280 4.990 4.663 5.315 0.035 5 0 "[ . 1]" 1
534 1 47 TYR HA 1 52 THR H 4.620 . 4.620 3.415 3.168 3.811 . 0 0 "[ . 1]" 1
535 1 48 GLY H 1 49 GLU HA 5.500 . 5.500 4.823 4.751 4.923 . 0 0 "[ . 1]" 1
536 1 48 GLY H 1 49 GLU H 4.570 . 4.570 3.797 3.514 4.067 . 0 0 "[ . 1]" 1
537 1 48 GLY HA2 1 50 ASN H 4.480 . 4.480 4.371 4.183 4.504 0.024 3 0 "[ . 1]" 1
538 1 48 GLY H 1 50 ASN H 4.050 . 4.050 3.009 2.632 3.464 . 0 0 "[ . 1]" 1
539 1 48 GLY H 1 51 VAL HA 5.230 . 5.230 3.771 3.586 3.864 . 0 0 "[ . 1]" 1
540 1 48 GLY H 1 51 VAL MG1 5.500 . 5.500 4.981 4.632 5.195 . 0 0 "[ . 1]" 1
541 1 48 GLY H 1 51 VAL MG2 5.290 . 5.290 3.652 3.162 4.012 . 0 0 "[ . 1]" 1
542 1 48 GLY H 1 85 LEU QD 4.260 . 4.260 4.014 3.199 4.959 0.699 1 1 "[+ . 1]" 1
543 1 49 GLU H 1 49 GLU HB2 4.180 . 4.180 2.983 2.458 3.584 . 0 0 "[ . 1]" 1
544 1 49 GLU HA 1 49 GLU QG 3.750 . 3.750 2.871 2.378 3.527 . 0 0 "[ . 1]" 1
545 1 49 GLU H 1 49 GLU QG 4.100 . 4.100 2.471 1.670 3.015 0.130 6 0 "[ . 1]" 1
546 1 49 GLU QG 1 50 ASN H 4.200 . 4.200 3.727 2.371 4.607 0.407 2 0 "[ . 1]" 1
547 1 49 GLU H 1 50 ASN H 3.220 . 3.220 2.482 2.211 2.662 . 0 0 "[ . 1]" 1
548 1 49 GLU QG 1 78 GLY HA2 4.930 . 4.930 4.138 2.321 4.974 0.044 2 0 "[ . 1]" 1
549 1 49 GLU QG 1 79 ARG QG 5.180 . 5.180 4.398 3.385 5.470 0.290 2 0 "[ . 1]" 1
550 1 49 GLU QG 1 79 ARG H 4.330 . 4.330 3.271 2.659 4.051 . 0 0 "[ . 1]" 1
551 1 49 GLU H 1 79 ARG H 5.390 . 5.390 3.557 2.945 4.161 . 0 0 "[ . 1]" 1
552 1 49 GLU QG 1 80 GLN H 4.050 . 4.050 3.935 2.998 5.550 1.500 7 2 "[- . + 1]" 1
553 1 49 GLU H 1 80 GLN H 5.260 . 5.260 3.797 3.315 4.292 . 0 0 "[ . 1]" 1
554 1 50 ASN HA 1 50 ASN HD22 3.730 . 3.730 3.833 3.348 4.402 0.672 9 1 "[ . +1]" 1
555 1 50 ASN HA 1 51 VAL HB 5.400 . 5.400 4.785 4.616 4.914 . 0 0 "[ . 1]" 1
556 1 50 ASN HA 1 51 VAL MG2 3.640 . 3.640 3.283 3.216 3.343 . 0 0 "[ . 1]" 1
557 1 50 ASN HB3 1 51 VAL MG2 4.920 . 4.920 4.530 4.376 4.864 . 0 0 "[ . 1]" 1
558 1 50 ASN H 1 51 VAL MG2 5.240 . 5.240 4.621 4.493 4.817 . 0 0 "[ . 1]" 1
559 1 50 ASN HA 1 51 VAL H 3.410 . 3.410 2.568 2.467 2.670 . 0 0 "[ . 1]" 1
560 1 50 ASN HB3 1 51 VAL H 3.300 . 3.300 2.391 2.185 2.948 . 0 0 "[ . 1]" 1
561 1 50 ASN H 1 51 VAL H 4.460 . 4.460 4.333 4.268 4.364 . 0 0 "[ . 1]" 1
562 1 51 VAL H 1 51 VAL HB 3.520 . 3.520 2.634 2.550 2.738 . 0 0 "[ . 1]" 1
563 1 51 VAL HA 1 51 VAL MG1 3.460 . 3.460 2.362 2.278 2.426 . 0 0 "[ . 1]" 1
564 1 51 VAL H 1 51 VAL MG1 4.340 . 4.340 3.886 3.853 3.919 . 0 0 "[ . 1]" 1
565 1 51 VAL H 1 51 VAL MG2 3.620 . 3.620 2.635 2.456 2.800 . 0 0 "[ . 1]" 1
566 1 51 VAL HA 1 52 THR HB 4.460 . 4.460 4.870 4.425 5.173 0.713 7 4 "[* . + -*]" 1
567 1 51 VAL HA 1 52 THR H 3.300 . 3.300 2.153 2.105 2.189 . 0 0 "[ . 1]" 1
568 1 51 VAL HB 1 52 THR H 4.400 . 4.400 4.280 3.979 4.478 0.078 5 0 "[ . 1]" 1
569 1 51 VAL MG1 1 52 THR H 3.540 . 3.540 2.929 2.480 3.358 . 0 0 "[ . 1]" 1
570 1 51 VAL MG2 1 52 THR H 4.450 . 4.450 4.201 4.085 4.332 . 0 0 "[ . 1]" 1
571 1 51 VAL H 1 52 THR H 4.740 . 4.740 4.263 3.986 4.510 . 0 0 "[ . 1]" 1
572 1 51 VAL MG1 1 53 HIS H 5.500 . 5.500 4.550 4.258 4.970 . 0 0 "[ . 1]" 1
573 1 51 VAL HA 1 89 THR MG 4.170 . 4.170 4.822 4.628 4.979 0.809 5 9 "[ *-*+*****]" 1
574 1 51 VAL HB 1 89 THR MG 3.570 . 3.570 2.609 2.186 3.106 . 0 0 "[ . 1]" 1
575 1 51 VAL MG1 1 89 THR MG 3.450 . 3.450 2.249 1.877 2.564 . 0 0 "[ . 1]" 1
576 1 51 VAL H 1 89 THR MG 5.370 . 5.370 4.678 3.979 5.186 . 0 0 "[ . 1]" 1
577 1 51 VAL MG1 1 90 ALA H 5.240 . 5.240 4.421 4.033 4.856 . 0 0 "[ . 1]" 1
578 1 52 THR H 1 52 THR HB 3.710 . 3.710 2.846 2.584 3.210 . 0 0 "[ . 1]" 1
579 1 52 THR HA 1 52 THR MG 2.990 . 2.990 2.280 2.192 2.446 . 0 0 "[ . 1]" 1
580 1 52 THR H 1 52 THR MG 4.510 . 4.510 3.891 3.820 3.992 . 0 0 "[ . 1]" 1
581 1 52 THR HA 1 53 HIS H 3.200 . 3.200 2.146 2.092 2.274 . 0 0 "[ . 1]" 1
582 1 52 THR HB 1 53 HIS H 4.920 . 4.920 3.881 3.453 4.191 . 0 0 "[ . 1]" 1
583 1 52 THR MG 1 53 HIS H 3.330 . 3.330 2.605 2.362 2.995 . 0 0 "[ . 1]" 1
584 1 52 THR MG 1 54 GLU HA 4.300 . 4.300 4.211 3.737 4.753 0.453 1 0 "[ . 1]" 1
585 1 52 THR MG 1 54 GLU QB 3.610 . 3.610 4.007 3.011 4.719 1.109 7 6 "[* -** + *]" 1
586 1 52 THR MG 1 54 GLU H 5.330 . 5.330 3.694 3.047 4.936 . 0 0 "[ . 1]" 1
587 1 53 HIS H 1 53 HIS HB2 4.000 . 4.000 3.847 3.775 4.006 0.006 3 0 "[ . 1]" 1
588 1 53 HIS H 1 53 HIS HD2 4.010 . 4.010 4.019 2.929 4.916 0.906 1 2 "[+ . - 1]" 1
589 1 53 HIS HA 1 54 GLU H 3.500 . 3.500 2.173 2.091 2.300 . 0 0 "[ . 1]" 1
590 1 53 HIS HB2 1 54 GLU H 4.990 . 4.990 3.981 3.473 4.265 . 0 0 "[ . 1]" 1
591 1 53 HIS HA 1 55 PHE H 4.620 . 4.620 3.626 3.191 3.953 . 0 0 "[ . 1]" 1
592 1 54 GLU QB 1 55 PHE H 3.630 . 3.630 2.658 2.313 3.119 . 0 0 "[ . 1]" 1
593 1 54 GLU H 1 55 PHE H 3.530 . 3.530 2.557 2.168 2.737 . 0 0 "[ . 1]" 1
594 1 54 GLU HA 1 73 ILE MD 4.880 . 4.880 4.661 4.268 5.900 1.020 3 1 "[ + . 1]" 1
595 1 54 GLU HA 1 73 ILE HG12 5.190 . 5.190 5.152 4.756 6.097 0.907 3 1 "[ + . 1]" 1
596 1 54 GLU H 1 73 ILE HG12 4.460 . 4.460 4.205 3.628 4.840 0.380 6 0 "[ . 1]" 1
597 1 54 GLU H 1 73 ILE MG 5.500 . 5.500 3.717 3.160 4.696 . 0 0 "[ . 1]" 1
598 1 55 PHE H 1 55 PHE HB2 3.670 . 3.670 2.542 2.382 2.711 . 0 0 "[ . 1]" 1
599 1 55 PHE H 1 56 ASN HA 5.060 . 5.060 4.995 4.685 5.212 0.152 9 0 "[ . 1]" 1
600 1 55 PHE HB2 1 56 ASN H 4.720 . 4.720 4.187 3.702 4.531 . 0 0 "[ . 1]" 1
601 1 55 PHE QD 1 56 ASN H 4.180 . 4.180 3.717 3.145 4.238 0.058 5 0 "[ . 1]" 1
602 1 55 PHE H 1 56 ASN H 4.500 . 4.500 4.331 4.104 4.468 . 0 0 "[ . 1]" 1
603 1 55 PHE QD 1 73 ILE MD 3.890 . 3.890 2.313 1.840 3.777 . 0 0 "[ . 1]" 1
604 1 55 PHE H 1 73 ILE MD 4.300 . 4.300 2.674 1.838 3.393 . 0 0 "[ . 1]" 1
605 1 55 PHE QD 1 73 ILE HG12 4.520 . 4.520 3.333 2.728 5.377 0.857 10 1 "[ . +]" 1
606 1 55 PHE H 1 73 ILE HG12 4.020 . 4.020 4.385 3.672 4.842 0.822 2 4 "[ + .-** 1]" 1
607 1 56 ASN HA 1 57 LEU HB2 5.100 . 5.100 4.489 4.239 4.772 . 0 0 "[ . 1]" 1
608 1 56 ASN HA 1 57 LEU QD 5.460 . 5.460 4.125 3.049 5.147 . 0 0 "[ . 1]" 1
609 1 56 ASN QB 1 58 ASN HA 4.800 . 4.800 5.085 4.618 5.395 0.595 5 1 "[ + 1]" 1
610 1 56 ASN H 1 59 LYS HB2 5.070 . 5.070 2.506 2.271 2.901 . 0 0 "[ . 1]" 1
611 1 56 ASN QB 1 59 LYS QD 3.790 . 3.790 3.512 2.790 4.346 0.556 5 1 "[ + 1]" 1
612 1 56 ASN H 1 59 LYS QD 5.240 . 5.240 3.937 3.289 4.348 . 0 0 "[ . 1]" 1
613 1 56 ASN QB 1 59 LYS HG2 4.490 . 4.490 3.503 1.932 4.726 0.236 4 0 "[ . 1]" 1
614 1 56 ASN H 1 59 LYS HG2 5.240 . 5.240 3.190 2.748 3.379 . 0 0 "[ . 1]" 1
615 1 56 ASN HA 1 59 LYS H 5.350 . 5.350 4.945 4.592 5.533 0.183 9 0 "[ . 1]" 1
616 1 56 ASN QB 1 59 LYS H 4.380 . 4.380 3.352 2.822 3.819 . 0 0 "[ . 1]" 1
617 1 56 ASN H 1 59 LYS H 5.150 . 5.150 4.285 3.819 4.897 . 0 0 "[ . 1]" 1
618 1 57 LEU HA 1 57 LEU QD 4.120 . 4.120 2.386 2.033 2.775 . 0 0 "[ . 1]" 1
619 1 57 LEU HA 1 58 ASN HA 4.540 . 4.540 4.662 4.581 4.875 0.335 3 0 "[ . 1]" 1
620 1 57 LEU QD 1 58 ASN HB2 5.500 . 5.500 4.739 3.458 5.303 . 0 0 "[ . 1]" 1
621 1 57 LEU HB2 1 58 ASN H 4.540 . 4.540 3.311 2.530 3.984 . 0 0 "[ . 1]" 1
622 1 57 LEU QD 1 58 ASN H 4.810 . 4.810 3.967 3.533 4.193 . 0 0 "[ . 1]" 1
623 1 57 LEU QD 1 94 ALA MB 3.410 . 3.410 2.742 1.869 3.830 0.420 5 0 "[ . 1]" 1
624 1 57 LEU QD 1 95 PHE QD 3.880 . 3.880 2.754 2.290 3.975 0.095 5 0 "[ . 1]" 1
625 1 57 LEU QD 1 95 PHE QE 5.180 . 5.180 2.900 2.350 3.846 . 0 0 "[ . 1]" 1
626 1 57 LEU QD 1 96 THR H 5.320 . 5.320 4.100 3.741 4.572 . 0 0 "[ . 1]" 1
627 1 57 LEU HB2 1 100 GLY QA 5.230 . 5.230 3.896 3.130 4.747 . 0 0 "[ . 1]" 1
628 1 57 LEU QD 1 100 GLY H 5.500 . 5.500 5.025 4.246 5.357 . 0 0 "[ . 1]" 1
629 1 57 LEU QD 1 101 ALA HA 3.720 . 3.720 2.346 1.843 2.866 . 0 0 "[ . 1]" 1
630 1 57 LEU QD 1 101 ALA MB 3.420 . 3.420 2.244 1.995 2.530 . 0 0 "[ . 1]" 1
631 1 57 LEU QD 1 101 ALA H 4.230 . 4.230 3.675 2.659 4.230 0.000 6 0 "[ . 1]" 1
632 1 57 LEU QD 1 102 ARG H 4.410 . 4.410 3.677 3.228 4.155 . 0 0 "[ . 1]" 1
633 1 58 ASN H 1 58 ASN HB2 4.150 . 4.150 2.552 2.114 2.762 . 0 0 "[ . 1]" 1
634 1 58 ASN H 1 59 LYS H 3.580 . 3.580 2.892 2.636 3.352 . 0 0 "[ . 1]" 1
635 1 58 ASN HA 1 60 TYR H 3.810 . 3.810 3.275 3.000 4.030 0.220 3 0 "[ . 1]" 1
636 1 58 ASN HB2 1 100 GLY QA 4.900 . 4.900 2.277 1.742 3.770 0.058 10 0 "[ . 1]" 1
637 1 58 ASN HD21 1 100 GLY QA 5.500 . 5.500 3.495 2.598 4.178 . 0 0 "[ . 1]" 1
638 1 58 ASN HD22 1 100 GLY QA 5.190 . 5.190 4.509 3.219 5.646 0.456 9 0 "[ . 1]" 1
639 1 58 ASN H 1 100 GLY QA 3.980 . 3.980 2.409 1.736 3.088 0.064 1 0 "[ . 1]" 1
640 1 58 ASN H 1 100 GLY H 4.960 . 4.960 4.863 4.679 5.040 0.080 3 0 "[ . 1]" 1
641 1 59 LYS H 1 59 LYS HB2 3.760 . 3.760 2.489 2.217 2.838 . 0 0 "[ . 1]" 1
642 1 59 LYS HA 1 59 LYS QD 3.810 . 3.810 2.202 1.900 3.040 . 0 0 "[ . 1]" 1
643 1 59 LYS HB2 1 59 LYS QD 3.780 . 3.780 2.769 2.275 3.551 . 0 0 "[ . 1]" 1
644 1 59 LYS H 1 59 LYS QD 4.930 . 4.930 4.318 4.002 4.680 . 0 0 "[ . 1]" 1
645 1 59 LYS H 1 59 LYS HG2 4.910 . 4.910 4.351 3.100 4.785 . 0 0 "[ . 1]" 1
646 1 59 LYS HB2 1 60 TYR H 4.390 . 4.390 4.072 3.523 4.309 . 0 0 "[ . 1]" 1
647 1 59 LYS QD 1 60 TYR H 5.500 . 5.500 5.039 4.766 5.542 0.042 8 0 "[ . 1]" 1
648 1 59 LYS H 1 60 TYR H 3.730 . 3.730 2.353 2.106 2.666 . 0 0 "[ . 1]" 1
649 1 60 TYR H 1 60 TYR HB2 4.010 . 4.010 3.408 2.658 3.648 . 0 0 "[ . 1]" 1
650 1 60 TYR HA 1 61 SER HA 4.660 . 4.660 4.529 4.415 4.601 . 0 0 "[ . 1]" 1
651 1 60 TYR HA 1 61 SER H 3.220 . 3.220 2.372 2.130 2.587 . 0 0 "[ . 1]" 1
652 1 60 TYR HB2 1 61 SER H 4.310 . 4.310 2.793 2.277 4.398 0.088 7 0 "[ . 1]" 1
653 1 60 TYR HA 1 62 SER H 4.240 . 4.240 4.189 3.747 4.468 0.228 1 0 "[ . 1]" 1
654 1 60 TYR HB2 1 62 SER H 4.960 . 4.960 4.067 2.777 5.260 0.300 7 0 "[ . 1]" 1
655 1 60 TYR HA 1 66 VAL QG 4.520 . 4.520 3.345 2.467 4.795 0.275 1 0 "[ . 1]" 1
656 1 60 TYR H 1 66 VAL QG 5.030 . 5.030 4.352 3.949 4.729 . 0 0 "[ . 1]" 1
657 1 61 SER H 1 61 SER HB2 4.050 . 4.050 3.048 2.708 3.867 . 0 0 "[ . 1]" 1
658 1 61 SER H 1 62 SER H 3.220 . 3.220 2.102 1.799 2.538 0.001 10 0 "[ . 1]" 1
659 1 61 SER H 1 65 GLU QB 4.770 . 4.770 2.812 2.298 3.155 . 0 0 "[ . 1]" 1
660 1 61 SER H 1 66 VAL QG 3.600 . 3.600 3.349 2.684 4.343 0.743 1 2 "[+ . - 1]" 1
661 1 62 SER HA 1 63 THR MG 5.500 . 5.500 5.522 5.409 5.685 0.185 10 0 "[ . 1]" 1
662 1 62 SER HA 1 63 THR H 3.260 . 3.260 2.399 2.218 2.509 . 0 0 "[ . 1]" 1
663 1 62 SER HB2 1 63 THR H 4.280 . 4.280 2.951 2.416 3.976 . 0 0 "[ . 1]" 1
664 1 62 SER H 1 63 THR H 4.630 . 4.630 4.386 4.200 4.539 . 0 0 "[ . 1]" 1
665 1 62 SER HB2 1 64 GLU HB2 5.090 . 5.090 4.562 3.926 5.453 0.363 1 0 "[ . 1]" 1
666 1 62 SER HA 1 64 GLU H 4.220 . 4.220 4.483 4.148 4.762 0.542 7 1 "[ . + 1]" 1
667 1 62 SER HB2 1 64 GLU H 4.450 . 4.450 3.324 2.897 4.455 0.005 1 0 "[ . 1]" 1
668 1 62 SER HA 1 66 VAL QG 4.970 . 4.970 4.254 4.019 4.511 . 0 0 "[ . 1]" 1
669 1 62 SER H 1 66 VAL QG 4.380 . 4.380 3.368 2.935 3.811 . 0 0 "[ . 1]" 1
670 1 63 THR H 1 63 THR HB 3.810 . 3.810 2.693 2.477 2.874 . 0 0 "[ . 1]" 1
671 1 63 THR HA 1 63 THR MG 2.990 . 2.990 2.377 2.283 2.475 . 0 0 "[ . 1]" 1
672 1 63 THR H 1 63 THR MG 3.850 . 3.850 3.713 3.606 3.783 . 0 0 "[ . 1]" 1
673 1 63 THR H 1 64 GLU HB2 5.020 . 5.020 5.172 4.862 5.401 0.381 7 0 "[ . 1]" 1
674 1 63 THR HB 1 64 GLU H 4.810 . 4.810 2.591 2.378 2.721 . 0 0 "[ . 1]" 1
675 1 63 THR MG 1 64 GLU H 3.840 . 3.840 3.638 3.343 3.912 0.072 8 0 "[ . 1]" 1
676 1 63 THR H 1 64 GLU H 3.760 . 3.760 2.910 2.800 3.099 . 0 0 "[ . 1]" 1
677 1 63 THR HA 1 66 VAL HB 5.110 . 5.110 3.234 2.713 3.498 . 0 0 "[ . 1]" 1
678 1 63 THR H 1 66 VAL QG . . 4.960 4.389 4.050 4.751 . 0 0 "[ . 1]" 1
679 1 63 THR MG 1 66 VAL H 4.780 . 4.780 4.884 4.718 5.144 0.364 3 0 "[ . 1]" 1
680 1 63 THR MG 1 67 LEU H 4.250 . 4.250 3.932 3.486 4.326 0.076 3 0 "[ . 1]" 1
681 1 64 GLU HA 1 64 GLU HB2 2.890 . 2.890 2.691 2.444 3.069 0.179 3 0 "[ . 1]" 1
682 1 64 GLU H 1 64 GLU HB2 3.160 . 3.160 2.465 2.245 2.604 . 0 0 "[ . 1]" 1
683 1 64 GLU HB2 1 65 GLU H 3.410 . 3.410 3.422 2.402 3.924 0.514 7 2 "[ - + 1]" 1
684 1 64 GLU H 1 65 GLU H 3.670 . 3.670 2.817 2.696 2.955 . 0 0 "[ . 1]" 1
685 1 64 GLU H 1 66 VAL H 4.590 . 4.590 4.362 4.243 4.441 . 0 0 "[ . 1]" 1
686 1 64 GLU HA 1 67 LEU H 4.320 . 4.320 3.701 3.554 3.856 . 0 0 "[ . 1]" 1
687 1 64 GLU H 1 67 LEU H 5.050 . 5.050 4.732 4.674 4.811 . 0 0 "[ . 1]" 1
688 1 64 GLU HA 1 68 VAL QG 3.670 . 3.670 4.131 3.326 4.581 0.911 7 7 "[ * ***+- *]" 1
689 1 64 GLU HA 1 68 VAL H 4.030 . 4.030 3.764 3.675 3.923 . 0 0 "[ . 1]" 1
690 1 65 GLU H 1 65 GLU HG2 3.910 . 3.910 3.223 2.145 4.532 0.622 6 2 "[ .+- 1]" 1
691 1 65 GLU H 1 66 VAL QG 5.500 . 5.500 3.948 3.761 4.115 . 0 0 "[ . 1]" 1
692 1 65 GLU QB 1 66 VAL H 3.410 . 3.410 2.597 2.338 2.851 . 0 0 "[ . 1]" 1
693 1 65 GLU HA 1 67 LEU H 5.070 . 5.070 4.576 4.490 4.765 . 0 0 "[ . 1]" 1
694 1 65 GLU H 1 67 LEU H 4.740 . 4.740 4.174 4.013 4.355 . 0 0 "[ . 1]" 1
695 1 65 GLU HA 1 68 VAL HB 3.460 . 3.460 3.722 2.741 4.355 0.895 4 6 "[ +*-** *]" 1
696 1 65 GLU HA 1 68 VAL QG 4.510 . 4.510 2.458 1.835 3.505 . 0 0 "[ . 1]" 1
697 1 65 GLU HA 1 69 ALA H 5.420 . 5.420 3.992 3.785 4.186 . 0 0 "[ . 1]" 1
698 1 66 VAL H 1 66 VAL HB 3.620 . 3.620 2.710 2.531 2.873 . 0 0 "[ . 1]" 1
699 1 66 VAL HA 1 66 VAL QG . . 3.040 2.139 2.100 2.203 . 0 0 "[ . 1]" 1
700 1 66 VAL H 1 66 VAL QG 3.160 . 3.160 1.956 1.827 2.099 . 0 0 "[ . 1]" 1
701 1 66 VAL H 1 67 LEU HB2 5.370 . 5.370 4.852 4.698 5.165 . 0 0 "[ . 1]" 1
702 1 66 VAL HB 1 67 LEU H 3.710 . 3.710 2.651 2.478 2.806 . 0 0 "[ . 1]" 1
703 1 66 VAL QG 1 67 LEU H 3.560 . 3.560 3.306 3.201 3.397 . 0 0 "[ . 1]" 1
704 1 66 VAL H 1 67 LEU H 3.510 . 3.510 2.618 2.536 2.796 . 0 0 "[ . 1]" 1
705 1 66 VAL H 1 68 VAL H 4.750 . 4.750 4.261 4.158 4.314 . 0 0 "[ . 1]" 1
706 1 66 VAL HA 1 69 ALA MB 3.450 . 3.450 2.448 2.161 2.765 . 0 0 "[ . 1]" 1
707 1 66 VAL HA 1 69 ALA H 4.120 . 4.120 3.426 3.204 3.656 . 0 0 "[ . 1]" 1
708 1 66 VAL HA 1 70 ALA MB 4.880 . 4.880 4.664 4.370 5.110 0.230 2 0 "[ . 1]" 1
709 1 66 VAL HA 1 70 ALA H 4.610 . 4.610 4.020 3.858 4.319 . 0 0 "[ . 1]" 1
710 1 67 LEU H 1 67 LEU HB2 3.720 . 3.720 2.408 2.270 2.528 . 0 0 "[ . 1]" 1
711 1 67 LEU H 1 68 VAL HA 5.500 . 5.500 5.344 5.276 5.394 . 0 0 "[ . 1]" 1
712 1 67 LEU H 1 68 VAL HB 5.150 . 5.150 5.011 4.729 5.217 0.067 4 0 "[ . 1]" 1
713 1 67 LEU HB2 1 68 VAL H 4.070 . 4.070 3.767 3.600 3.892 . 0 0 "[ . 1]" 1
714 1 67 LEU H 1 68 VAL H 3.660 . 3.660 2.755 2.697 2.788 . 0 0 "[ . 1]" 1
715 1 67 LEU HA 1 70 ALA MB 3.440 . 3.440 2.756 2.370 3.044 . 0 0 "[ . 1]" 1
716 1 67 LEU H 1 70 ALA MB 4.850 . 4.850 4.772 4.477 5.118 0.268 2 0 "[ . 1]" 1
717 1 67 LEU HA 1 71 LYS H 5.050 . 5.050 4.473 4.011 5.420 0.370 3 0 "[ . 1]" 1
718 1 68 VAL H 1 68 VAL HB 3.120 . 3.120 2.433 2.278 2.539 . 0 0 "[ . 1]" 1
719 1 68 VAL HA 1 68 VAL QG 2.980 . 2.980 2.219 2.161 2.310 . 0 0 "[ . 1]" 1
720 1 68 VAL H 1 68 VAL QG 3.330 . 3.330 2.352 2.261 2.451 . 0 0 "[ . 1]" 1
721 1 68 VAL QG 1 69 ALA HA 4.770 . 4.770 3.231 3.112 3.534 . 0 0 "[ . 1]" 1
722 1 68 VAL HB 1 69 ALA H 3.420 . 3.420 3.649 2.705 4.091 0.671 5 7 "[ * *+**- *]" 1
723 1 68 VAL QG 1 69 ALA H 4.020 . 4.020 2.618 2.282 3.245 . 0 0 "[ . 1]" 1
724 1 68 VAL H 1 69 ALA H 3.410 . 3.410 2.688 2.638 2.774 . 0 0 "[ . 1]" 1
725 1 68 VAL HA 1 70 ALA H 4.850 . 4.850 4.377 4.257 4.525 . 0 0 "[ . 1]" 1
726 1 68 VAL H 1 70 ALA H 4.780 . 4.780 4.242 4.133 4.375 . 0 0 "[ . 1]" 1
727 1 68 VAL HA 1 71 LYS QB 4.290 . 4.290 4.139 3.784 4.402 0.112 3 0 "[ . 1]" 1
728 1 68 VAL HA 1 71 LYS QE 3.410 . 3.410 3.149 2.083 4.369 0.959 7 3 "[ * - + 1]" 1
729 1 68 VAL QG 1 71 LYS QE 3.310 . 3.310 2.590 1.898 3.761 0.451 3 0 "[ . 1]" 1
730 1 68 VAL HA 1 71 LYS HG2 4.270 . 4.270 2.265 1.925 2.862 . 0 0 "[ . 1]" 1
731 1 68 VAL HA 1 71 LYS H 4.440 . 4.440 3.428 3.177 3.648 . 0 0 "[ . 1]" 1
732 1 68 VAL QG 1 71 LYS H 5.500 . 5.500 4.332 4.132 4.526 . 0 0 "[ . 1]" 1
733 1 69 ALA H 1 69 ALA MB 3.070 . 3.070 2.246 2.235 2.266 . 0 0 "[ . 1]" 1
734 1 69 ALA MB 1 70 ALA HA 4.290 . 4.290 3.885 3.856 3.948 . 0 0 "[ . 1]" 1
735 1 69 ALA MB 1 70 ALA MB 4.070 . 4.070 3.753 3.653 3.837 . 0 0 "[ . 1]" 1
736 1 69 ALA H 1 70 ALA MB 4.280 . 4.280 4.290 4.202 4.402 0.122 3 0 "[ . 1]" 1
737 1 69 ALA MB 1 70 ALA H 3.450 . 3.450 2.540 2.502 2.606 . 0 0 "[ . 1]" 1
738 1 69 ALA H 1 70 ALA H 3.470 . 3.470 2.655 2.548 2.828 . 0 0 "[ . 1]" 1
739 1 69 ALA MB 1 71 LYS H 4.630 . 4.630 4.574 4.353 4.687 0.057 1 0 "[ . 1]" 1
740 1 69 ALA HA 1 72 LYS H 3.660 . 3.660 3.263 3.140 3.354 . 0 0 "[ . 1]" 1
741 1 69 ALA MB 1 72 LYS H 4.830 . 4.830 4.385 4.303 4.471 . 0 0 "[ . 1]" 1
742 1 69 ALA MB 1 73 ILE MD 3.290 . 3.290 3.298 2.871 3.858 0.568 4 1 "[ +. 1]" 1
743 1 70 ALA H 1 70 ALA MB 3.030 . 3.030 2.222 2.192 2.246 . 0 0 "[ . 1]" 1
744 1 70 ALA H 1 71 LYS QB 5.430 . 5.430 5.179 5.026 5.276 . 0 0 "[ . 1]" 1
745 1 70 ALA MB 1 71 LYS H 3.230 . 3.230 2.620 2.496 3.213 . 0 0 "[ . 1]" 1
746 1 70 ALA H 1 71 LYS H 3.280 . 3.280 2.777 2.699 2.883 . 0 0 "[ . 1]" 1
747 1 70 ALA H 1 72 LYS H 4.790 . 4.790 3.889 3.824 4.156 . 0 0 "[ . 1]" 1
748 1 70 ALA HA 1 73 ILE HB 3.950 . 3.950 3.631 3.179 3.993 0.043 2 0 "[ . 1]" 1
749 1 70 ALA HA 1 73 ILE MD 3.470 . 3.470 3.290 2.561 3.823 0.353 4 0 "[ . 1]" 1
750 1 70 ALA H 1 73 ILE MD 4.340 . 4.340 4.867 4.334 5.503 1.163 4 4 "[ * +* - 1]" 1
751 1 71 LYS H 1 71 LYS QB 3.300 . 3.300 2.776 2.660 3.104 . 0 0 "[ . 1]" 1
752 1 71 LYS QE 1 71 LYS HG2 3.600 . 3.600 2.974 2.318 3.366 . 0 0 "[ . 1]" 1
753 1 71 LYS H 1 71 LYS HG2 3.520 . 3.520 2.438 2.030 3.216 . 0 0 "[ . 1]" 1
754 1 72 LYS H 1 72 LYS HB2 3.570 . 3.570 2.385 2.148 2.688 . 0 0 "[ . 1]" 1
755 1 72 LYS HA 1 72 LYS HG2 3.600 . 3.600 2.831 2.404 3.405 . 0 0 "[ . 1]" 1
756 1 72 LYS H 1 72 LYS HG2 4.440 . 4.440 4.279 4.015 4.465 0.025 1 0 "[ . 1]" 1
757 1 72 LYS H 1 73 ILE MD 5.020 . 5.020 4.994 4.666 5.382 0.362 4 0 "[ . 1]" 1
758 1 72 LYS HB2 1 73 ILE H 4.030 . 4.030 3.309 2.785 3.992 . 0 0 "[ . 1]" 1
759 1 73 ILE H 1 73 ILE HB 3.170 . 3.170 2.537 2.292 2.619 . 0 0 "[ . 1]" 1
760 1 73 ILE H 1 73 ILE MD 3.230 . 3.230 3.550 3.485 3.726 0.496 4 0 "[ . 1]" 1
761 1 73 ILE H 1 73 ILE HG12 3.990 . 3.990 3.494 3.341 3.772 . 0 0 "[ . 1]" 1
762 1 73 ILE HA 1 73 ILE MG 3.450 . 3.450 2.396 2.322 2.577 . 0 0 "[ . 1]" 1
763 1 73 ILE H 1 73 ILE MG 3.750 . 3.750 3.815 3.752 3.836 0.086 2 0 "[ . 1]" 1
764 1 73 ILE HB 1 74 VAL HA 5.170 . 5.170 4.944 4.798 5.185 0.015 3 0 "[ . 1]" 1
765 1 73 ILE MG 1 74 VAL HA 4.530 . 4.530 3.937 3.821 4.080 . 0 0 "[ . 1]" 1
766 1 73 ILE HA 1 74 VAL MG2 4.380 . 4.380 3.780 3.673 3.922 . 0 0 "[ . 1]" 1
767 1 73 ILE H 1 74 VAL MG2 5.390 . 5.390 5.162 4.884 5.427 0.037 8 0 "[ . 1]" 1
768 1 73 ILE HA 1 74 VAL H 3.070 . 3.070 2.167 2.126 2.205 . 0 0 "[ . 1]" 1
769 1 73 ILE HB 1 74 VAL H 4.910 . 4.910 4.432 4.377 4.477 . 0 0 "[ . 1]" 1
770 1 73 ILE MD 1 74 VAL H 4.900 . 4.900 5.526 5.435 5.599 0.699 9 10 [*******-+*] 1
771 1 73 ILE MG 1 74 VAL H 3.690 . 3.690 3.329 3.121 3.486 . 0 0 "[ . 1]" 1
772 1 73 ILE H 1 74 VAL H 4.400 . 4.400 4.231 4.100 4.417 0.017 3 0 "[ . 1]" 1
773 1 74 VAL H 1 74 VAL HB 3.830 . 3.830 3.732 3.660 3.871 0.041 3 0 "[ . 1]" 1
774 1 74 VAL HA 1 74 VAL MG2 3.310 . 3.310 3.280 3.262 3.296 . 0 0 "[ . 1]" 1
775 1 74 VAL H 1 74 VAL MG2 2.950 . 2.950 2.110 1.956 2.453 . 0 0 "[ . 1]" 1
776 1 74 VAL HA 1 74 VAL MG1 2.920 . 2.920 2.369 2.310 2.453 . 0 0 "[ . 1]" 1
777 1 74 VAL H 1 74 VAL MG1 3.220 . 3.220 2.901 2.709 3.307 0.087 3 0 "[ . 1]" 1
778 1 74 VAL HA 1 75 GLN HA 4.880 . 4.880 4.384 4.313 4.521 . 0 0 "[ . 1]" 1
779 1 74 VAL MG2 1 75 GLN HA 5.080 . 5.080 4.232 4.015 4.438 . 0 0 "[ . 1]" 1
780 1 74 VAL HA 1 75 GLN HB2 4.580 . 4.580 4.112 3.854 4.293 . 0 0 "[ . 1]" 1
781 1 74 VAL HA 1 75 GLN H 3.330 . 3.330 2.171 2.092 2.443 . 0 0 "[ . 1]" 1
782 1 74 VAL HB 1 75 GLN H 3.550 . 3.550 2.978 2.395 3.322 . 0 0 "[ . 1]" 1
783 1 74 VAL MG2 1 75 GLN H 3.740 . 3.740 3.924 3.554 4.202 0.462 1 0 "[ . 1]" 1
784 1 74 VAL MG1 1 75 GLN H 4.300 . 4.300 3.829 3.658 3.970 . 0 0 "[ . 1]" 1
785 1 74 VAL H 1 75 GLN H 4.950 . 4.950 4.437 4.360 4.515 . 0 0 "[ . 1]" 1
786 1 74 VAL MG2 1 76 ARG H 5.110 . 5.110 4.823 4.312 5.519 0.409 3 0 "[ . 1]" 1
787 1 75 GLN H 1 75 GLN HB2 3.790 . 3.790 2.446 2.225 2.849 . 0 0 "[ . 1]" 1
788 1 75 GLN HA 1 76 ARG QB 5.280 . 5.280 4.262 4.187 4.335 . 0 0 "[ . 1]" 1
789 1 75 GLN HA 1 77 GLY H 5.090 . 5.090 3.731 3.575 3.961 . 0 0 "[ . 1]" 1
790 1 76 ARG H 1 76 ARG QB 3.770 . 3.770 2.326 2.265 2.371 . 0 0 "[ . 1]" 1
791 1 76 ARG QB 1 77 GLY HA2 5.310 . 5.310 4.813 4.674 4.994 . 0 0 "[ . 1]" 1
792 1 76 ARG H 1 77 GLY H 4.030 . 4.030 2.400 2.084 2.632 . 0 0 "[ . 1]" 1
793 1 77 GLY HA2 1 78 GLY H 3.550 . 3.550 2.270 2.135 2.493 . 0 0 "[ . 1]" 1
794 1 77 GLY H 1 78 GLY H 4.340 . 4.340 3.889 3.234 4.357 0.017 7 0 "[ . 1]" 1
795 1 78 GLY H 1 79 ARG H 4.740 . 4.740 4.356 3.997 4.639 . 0 0 "[ . 1]" 1
796 1 78 GLY QA 1 80 GLN H 3.740 . 3.740 3.395 3.063 3.993 0.253 9 0 "[ . 1]" 1
797 1 79 ARG H 1 79 ARG HB2 4.030 . 4.030 2.575 2.161 2.900 . 0 0 "[ . 1]" 1
798 1 79 ARG H 1 79 ARG QG 4.840 . 4.840 3.469 2.215 4.142 . 0 0 "[ . 1]" 1
799 1 79 ARG QG 1 80 GLN H 4.420 . 4.420 4.437 4.063 5.013 0.593 7 1 "[ . + 1]" 1
800 1 79 ARG H 1 80 GLN H 3.680 . 3.680 2.493 1.941 2.867 . 0 0 "[ . 1]" 1
801 1 80 GLN HB2 1 81 THR H 4.690 . 4.690 4.106 3.504 4.586 . 0 0 "[ . 1]" 1
802 1 80 GLN H 1 81 THR H 5.000 . 5.000 4.361 4.250 4.453 . 0 0 "[ . 1]" 1
803 1 81 THR MG 1 82 MET HA 5.500 . 5.500 3.661 3.172 3.853 . 0 0 "[ . 1]" 1
804 1 81 THR H 1 82 MET ME 4.720 . 4.720 6.128 4.965 7.340 2.620 8 9 "[****** +*-]" 1
805 1 81 THR MG 1 82 MET H 4.380 . 4.380 3.160 2.890 3.431 . 0 0 "[ . 1]" 1
806 1 81 THR MG 1 83 THR HA 5.430 . 5.430 4.066 3.603 4.649 . 0 0 "[ . 1]" 1
807 1 81 THR MG 1 83 THR MG 4.790 . 4.790 3.578 2.577 4.490 . 0 0 "[ . 1]" 1
808 1 81 THR MG 1 83 THR H 3.800 . 3.800 3.141 2.887 3.461 . 0 0 "[ . 1]" 1
809 1 81 THR MG 1 114 ASP QB 4.440 . 4.440 3.845 2.003 5.022 0.582 1 1 "[+ . 1]" 1
810 1 81 THR MG 1 114 ASP H 5.500 . 5.500 3.387 2.724 3.873 . 0 0 "[ . 1]" 1
811 1 81 THR HB 1 116 GLU HA 4.770 . 4.770 4.749 3.385 5.802 1.032 1 1 "[+ . 1]" 1
812 1 81 THR HB 1 116 GLU QB 2.960 . 2.960 2.321 1.796 3.497 0.537 7 1 "[ . + 1]" 1
813 1 81 THR HB 1 116 GLU QG 4.290 . 4.290 3.077 1.792 5.511 1.221 7 1 "[ . + 1]" 1
814 1 81 THR HB 1 116 GLU H 5.500 . 5.500 4.752 3.793 5.608 0.108 1 0 "[ . 1]" 1
815 1 81 THR MG 1 116 GLU H 5.500 . 5.500 3.691 2.647 4.877 . 0 0 "[ . 1]" 1
816 1 82 MET HA 1 82 MET ME 3.430 . 3.430 2.884 1.916 4.018 0.588 9 1 "[ . +1]" 1
817 1 82 MET H 1 82 MET ME 5.370 . 5.370 5.123 4.357 5.993 0.623 3 3 "[- + . * 1]" 1
818 1 82 MET H 1 82 MET HG2 4.700 . 4.700 4.411 3.557 4.751 0.051 3 0 "[ . 1]" 1
819 1 82 MET ME 1 83 THR HB 5.500 . 5.500 5.426 3.922 7.919 2.419 9 3 "[- * . +1]" 1
820 1 82 MET HA 1 83 THR MG 5.500 . 5.500 4.931 3.894 5.474 . 0 0 "[ . 1]" 1
821 1 82 MET H 1 83 THR H 4.830 . 4.830 3.810 3.597 3.931 . 0 0 "[ . 1]" 1
822 1 82 MET HA 1 84 ALA H 5.070 . 5.070 3.727 3.394 4.009 . 0 0 "[ . 1]" 1
823 1 82 MET ME 1 84 ALA H 5.500 . 5.500 3.439 2.741 5.565 0.065 9 0 "[ . 1]" 1
824 1 82 MET HA 1 85 LEU H 5.020 . 5.020 4.178 3.981 4.519 . 0 0 "[ . 1]" 1
825 1 83 THR H 1 83 THR HB 3.550 . 3.550 3.179 2.765 3.665 0.115 7 0 "[ . 1]" 1
826 1 83 THR H 1 83 THR MG 3.850 . 3.850 3.153 2.284 3.695 . 0 0 "[ . 1]" 1
827 1 83 THR HA 1 84 ALA HA 5.450 . 5.450 4.849 4.822 4.898 . 0 0 "[ . 1]" 1
828 1 83 THR H 1 84 ALA MB 4.450 . 4.450 4.503 4.102 4.684 0.234 8 0 "[ . 1]" 1
829 1 83 THR HB 1 84 ALA H 4.110 . 4.110 2.942 2.398 3.917 . 0 0 "[ . 1]" 1
830 1 83 THR MG 1 84 ALA H 4.570 . 4.570 3.948 3.628 4.171 . 0 0 "[ . 1]" 1
831 1 83 THR H 1 84 ALA H 4.020 . 4.020 2.850 2.470 3.022 . 0 0 "[ . 1]" 1
832 1 83 THR H 1 85 LEU H 4.520 . 4.520 4.389 4.201 4.500 . 0 0 "[ . 1]" 1
833 1 83 THR HA 1 86 GLY H 4.680 . 4.680 3.440 3.018 3.643 . 0 0 "[ . 1]" 1
834 1 83 THR HB 1 87 ILE MD 5.060 . 5.060 3.581 3.111 3.968 . 0 0 "[ . 1]" 1
835 1 83 THR MG 1 87 ILE MD 3.120 . 3.120 3.005 2.100 4.442 1.322 3 2 "[ + . - 1]" 1
836 1 83 THR HA 1 87 ILE H 4.950 . 4.950 4.199 3.982 4.518 . 0 0 "[ . 1]" 1
837 1 83 THR HA 1 160 ILE MD 5.500 . 5.500 6.229 4.373 7.511 2.011 7 6 "[** -.*+ *1]" 1
838 1 83 THR H 1 160 ILE MD 3.980 . 3.980 5.574 4.370 6.490 2.510 2 9 "[*+**-** **]" 1
839 1 84 ALA H 1 84 ALA MB 3.560 . 3.560 2.252 2.217 2.277 . 0 0 "[ . 1]" 1
840 1 84 ALA HA 1 85 LEU HA 5.180 . 5.180 4.816 4.736 4.891 . 0 0 "[ . 1]" 1
841 1 84 ALA MB 1 85 LEU H 3.770 . 3.770 2.554 2.352 2.698 . 0 0 "[ . 1]" 1
842 1 84 ALA H 1 85 LEU H 3.760 . 3.760 2.787 2.683 2.873 . 0 0 "[ . 1]" 1
843 1 84 ALA MB 1 86 GLY H 5.360 . 5.360 4.493 4.336 4.603 . 0 0 "[ . 1]" 1
844 1 84 ALA H 1 86 GLY H 5.030 . 5.030 4.142 3.998 4.294 . 0 0 "[ . 1]" 1
845 1 84 ALA HA 1 87 ILE HB 4.840 . 4.840 3.169 2.840 3.718 . 0 0 "[ . 1]" 1
846 1 84 ALA HA 1 87 ILE MD 4.230 . 4.230 3.221 2.371 4.166 . 0 0 "[ . 1]" 1
847 1 84 ALA HA 1 87 ILE MG 4.270 . 4.270 4.483 4.155 4.819 0.549 1 1 "[+ . 1]" 1
848 1 84 ALA HA 1 87 ILE H 5.150 . 5.150 3.518 3.278 3.675 . 0 0 "[ . 1]" 1
849 1 84 ALA MB 1 88 ASP HB2 5.340 . 5.340 4.207 3.739 4.841 . 0 0 "[ . 1]" 1
850 1 84 ALA HA 1 88 ASP H 4.840 . 4.840 3.892 3.711 4.161 . 0 0 "[ . 1]" 1
851 1 84 ALA MB 1 88 ASP H 5.190 . 5.190 4.478 4.266 4.704 . 0 0 "[ . 1]" 1
852 1 84 ALA MB 1 122 ARG HA 4.660 . 4.660 4.121 3.883 4.540 . 0 0 "[ . 1]" 1
853 1 84 ALA HA 1 122 ARG QB 5.000 . 5.000 4.571 4.192 4.907 . 0 0 "[ . 1]" 1
854 1 84 ALA MB 1 122 ARG QB 3.530 . 3.530 2.177 1.905 2.518 . 0 0 "[ . 1]" 1
855 1 84 ALA MB 1 122 ARG QD 3.350 . 3.350 3.232 2.782 3.736 0.386 4 0 "[ . 1]" 1
856 1 84 ALA MB 1 122 ARG H 5.060 . 5.060 4.177 3.998 4.389 . 0 0 "[ . 1]" 1
857 1 84 ALA HA 1 123 LEU HA 3.770 . 3.770 3.438 3.030 4.044 0.274 5 0 "[ . 1]" 1
858 1 84 ALA MB 1 123 LEU HA 3.820 . 3.820 2.407 2.151 2.893 . 0 0 "[ . 1]" 1
859 1 84 ALA MB 1 123 LEU QB 3.620 . 3.620 2.671 1.938 3.801 0.181 5 0 "[ . 1]" 1
860 1 84 ALA H 1 123 LEU QD . . 4.840 3.005 2.604 3.529 . 0 0 "[ . 1]" 1
861 1 84 ALA MB 1 123 LEU QD 3.220 . 3.220 2.252 1.788 2.825 0.012 5 0 "[ . 1]" 1
862 1 84 ALA MB 1 123 LEU H 4.250 . 4.250 2.873 2.517 3.263 . 0 0 "[ . 1]" 1
863 1 85 LEU H 1 85 LEU HB2 3.520 . 3.520 2.380 2.053 2.702 . 0 0 "[ . 1]" 1
864 1 85 LEU HB2 1 85 LEU QD 3.100 . 3.100 2.200 2.139 2.381 . 0 0 "[ . 1]" 1
865 1 85 LEU HA 1 85 LEU QD 3.140 . 3.140 2.326 2.004 3.182 0.042 5 0 "[ . 1]" 1
866 1 85 LEU HB2 1 86 GLY HA2 5.370 . 5.370 5.379 4.393 5.803 0.433 3 0 "[ . 1]" 1
867 1 85 LEU QD 1 86 GLY H 5.500 . 5.500 3.892 2.839 4.241 . 0 0 "[ . 1]" 1
868 1 85 LEU H 1 86 GLY H 3.860 . 3.860 2.618 2.446 2.722 . 0 0 "[ . 1]" 1
869 1 85 LEU HA 1 88 ASP HB2 4.520 . 4.520 3.705 3.446 4.065 . 0 0 "[ . 1]" 1
870 1 85 LEU HA 1 88 ASP H 4.680 . 4.680 3.635 3.365 3.818 . 0 0 "[ . 1]" 1
871 1 85 LEU H 1 123 LEU HA 5.450 . 5.450 6.126 5.727 6.536 1.086 5 8 "[* **+*-**1]" 1
872 1 86 GLY H 1 87 ILE MD 5.500 . 5.500 4.946 4.301 5.328 . 0 0 "[ . 1]" 1
873 1 86 GLY H 1 87 ILE H 3.550 . 3.550 2.741 2.503 2.868 . 0 0 "[ . 1]" 1
874 1 86 GLY HA2 1 90 ALA H 4.940 . 4.940 4.003 3.882 4.210 . 0 0 "[ . 1]" 1
875 1 87 ILE H 1 87 ILE HB 3.740 . 3.740 2.712 2.481 2.990 . 0 0 "[ . 1]" 1
876 1 87 ILE HA 1 87 ILE MD 3.770 . 3.770 3.367 2.269 3.988 0.218 8 0 "[ . 1]" 1
877 1 87 ILE HB 1 87 ILE MD 3.590 . 3.590 2.750 2.354 3.268 . 0 0 "[ . 1]" 1
878 1 87 ILE H 1 87 ILE MD 4.000 . 4.000 3.173 2.606 3.509 . 0 0 "[ . 1]" 1
879 1 87 ILE H 1 87 ILE MG 3.670 . 3.670 3.802 3.727 3.838 0.168 7 0 "[ . 1]" 1
880 1 87 ILE MG 1 88 ASP HA 4.660 . 4.660 3.691 3.466 4.236 . 0 0 "[ . 1]" 1
881 1 87 ILE HB 1 88 ASP H 4.080 . 4.080 2.450 2.344 2.611 . 0 0 "[ . 1]" 1
882 1 87 ILE MD 1 88 ASP H 4.830 . 4.830 4.420 4.243 4.632 . 0 0 "[ . 1]" 1
883 1 87 ILE MG 1 88 ASP H 3.990 . 3.990 3.589 3.377 3.907 . 0 0 "[ . 1]" 1
884 1 87 ILE H 1 88 ASP H 4.160 . 4.160 2.726 2.657 2.821 . 0 0 "[ . 1]" 1
885 1 87 ILE HA 1 90 ALA MB 3.860 . 3.860 2.680 2.545 2.876 . 0 0 "[ . 1]" 1
886 1 87 ILE HA 1 90 ALA H 4.660 . 4.660 3.625 3.547 3.681 . 0 0 "[ . 1]" 1
887 1 87 ILE MG 1 90 ALA H 4.980 . 4.980 4.890 4.828 5.025 0.045 9 0 "[ . 1]" 1
888 1 87 ILE MG 1 109 MET HB2 4.080 . 4.080 4.130 3.762 4.520 0.440 7 0 "[ . 1]" 1
889 1 87 ILE HA 1 109 MET ME 3.820 . 3.820 2.361 2.047 2.642 . 0 0 "[ . 1]" 1
890 1 87 ILE MD 1 109 MET ME 5.050 . 5.050 3.836 2.527 4.569 . 0 0 "[ . 1]" 1
891 1 87 ILE MG 1 109 MET ME 3.910 . 3.910 2.092 1.996 2.315 . 0 0 "[ . 1]" 1
892 1 87 ILE MD 1 111 ILE MD 3.110 . 3.110 2.285 1.956 2.656 . 0 0 "[ . 1]" 1
893 1 87 ILE H 1 111 ILE MD 5.470 . 5.470 5.177 4.706 5.686 0.216 8 0 "[ . 1]" 1
894 1 88 ASP H 1 88 ASP HB2 3.740 . 3.740 2.444 2.309 2.606 . 0 0 "[ . 1]" 1
895 1 88 ASP HB2 1 89 THR H 3.850 . 3.850 3.845 3.741 3.993 0.143 3 0 "[ . 1]" 1
896 1 88 ASP HA 1 90 ALA MB 5.500 . 5.500 5.112 5.001 5.305 . 0 0 "[ . 1]" 1
897 1 88 ASP HA 1 91 ARG QG 3.920 . 3.920 2.361 2.084 2.573 . 0 0 "[ . 1]" 1
898 1 88 ASP HA 1 91 ARG H 4.620 . 4.620 3.850 3.729 4.088 . 0 0 "[ . 1]" 1
899 1 88 ASP HA 1 92 LYS H 4.930 . 4.930 4.584 4.365 4.872 . 0 0 "[ . 1]" 1
900 1 88 ASP HA 1 109 MET ME 5.110 . 5.110 4.609 4.452 4.729 . 0 0 "[ . 1]" 1
901 1 89 THR H 1 89 THR HB 3.830 . 3.830 2.710 2.545 2.773 . 0 0 "[ . 1]" 1
902 1 89 THR H 1 89 THR MG 3.750 . 3.750 3.790 3.746 3.810 0.060 9 0 "[ . 1]" 1
903 1 89 THR MG 1 90 ALA HA 5.330 . 5.330 4.046 3.784 4.194 . 0 0 "[ . 1]" 1
904 1 89 THR MG 1 90 ALA MB 4.620 . 4.620 4.669 4.452 4.842 0.222 8 0 "[ . 1]" 1
905 1 89 THR HB 1 90 ALA H 3.440 . 3.440 2.930 2.747 3.101 . 0 0 "[ . 1]" 1
906 1 89 THR MG 1 90 ALA H 3.930 . 3.930 3.976 3.809 4.106 0.176 1 0 "[ . 1]" 1
907 1 89 THR H 1 90 ALA H 3.270 . 3.270 2.624 2.529 2.752 . 0 0 "[ . 1]" 1
908 1 89 THR HA 1 91 ARG H 5.270 . 5.270 4.523 4.256 4.747 . 0 0 "[ . 1]" 1
909 1 89 THR MG 1 93 GLU H 5.000 . 5.000 3.812 3.292 4.163 . 0 0 "[ . 1]" 1
910 1 90 ALA H 1 90 ALA MB 3.150 . 3.150 2.235 2.199 2.267 . 0 0 "[ . 1]" 1
911 1 90 ALA MB 1 91 ARG H 3.380 . 3.380 2.521 2.420 2.611 . 0 0 "[ . 1]" 1
912 1 90 ALA HA 1 93 GLU QB 5.260 . 5.260 3.684 3.078 4.303 . 0 0 "[ . 1]" 1
913 1 90 ALA HA 1 93 GLU H 4.050 . 4.050 3.828 3.423 4.434 0.384 1 0 "[ . 1]" 1
914 1 90 ALA HA 1 94 ALA MB 3.420 . 3.420 2.537 1.977 3.051 . 0 0 "[ . 1]" 1
915 1 90 ALA HA 1 94 ALA H 4.040 . 4.040 2.857 2.633 3.230 . 0 0 "[ . 1]" 1
916 1 90 ALA MB 1 95 PHE QD 4.860 . 4.860 4.627 3.913 5.776 0.916 4 1 "[ +. 1]" 1
917 1 90 ALA HA 1 109 MET ME 5.500 . 5.500 4.400 4.242 4.629 . 0 0 "[ . 1]" 1
918 1 90 ALA MB 1 109 MET ME 2.830 . 2.830 2.066 1.858 2.266 . 0 0 "[ . 1]" 1
919 1 90 ALA H 1 109 MET ME 4.960 . 4.960 3.893 3.704 4.097 . 0 0 "[ . 1]" 1
920 1 91 ARG QG 1 92 LYS HA 3.750 . 3.750 3.745 3.608 3.926 0.176 1 0 "[ . 1]" 1
921 1 91 ARG QB 1 92 LYS QB 5.460 . 5.460 5.103 5.026 5.157 . 0 0 "[ . 1]" 1
922 1 91 ARG H 1 92 LYS QB 5.080 . 5.080 4.706 4.513 5.029 . 0 0 "[ . 1]" 1
923 1 91 ARG QG 1 92 LYS QG 3.190 . 3.190 2.057 1.873 2.169 . 0 0 "[ . 1]" 1
924 1 91 ARG QG 1 92 LYS H 3.720 . 3.720 2.553 2.341 2.697 . 0 0 "[ . 1]" 1
925 1 91 ARG HA 1 95 PHE HA 5.350 . 5.350 4.976 4.593 5.751 0.401 6 0 "[ . 1]" 1
926 1 91 ARG HA 1 95 PHE QD 3.860 . 3.860 2.769 1.841 4.079 0.219 3 0 "[ . 1]" 1
927 1 91 ARG H 1 95 PHE QD 5.110 . 5.110 5.128 4.460 6.086 0.976 4 3 "[ *+. - 1]" 1
928 1 91 ARG HA 1 109 MET ME 3.150 . 3.150 3.483 3.243 3.806 0.656 4 2 "[- +. 1]" 1
929 1 91 ARG H 1 109 MET ME 3.080 . 3.080 2.767 2.621 3.018 . 0 0 "[ . 1]" 1
930 1 91 ARG HA 1 135 ILE MD 4.530 . 4.530 4.541 3.734 5.168 0.638 3 1 "[ + . 1]" 1
931 1 91 ARG QB 1 135 ILE MD 4.820 . 4.820 3.075 2.561 3.613 . 0 0 "[ . 1]" 1
932 1 92 LYS H 1 92 LYS QB 3.350 . 3.350 2.380 2.239 2.515 . 0 0 "[ . 1]" 1
933 1 92 LYS HA 1 92 LYS QG 3.040 . 3.040 2.435 2.353 2.565 . 0 0 "[ . 1]" 1
934 1 92 LYS H 1 92 LYS QG 3.600 . 3.600 2.794 2.560 3.026 . 0 0 "[ . 1]" 1
935 1 92 LYS QB 1 93 GLU HA 5.040 . 5.040 4.131 3.809 4.340 . 0 0 "[ . 1]" 1
936 1 92 LYS QB 1 93 GLU H 3.910 . 3.910 2.857 2.188 3.360 . 0 0 "[ . 1]" 1
937 1 92 LYS QG 1 93 GLU H 5.500 . 5.500 4.317 3.889 4.499 . 0 0 "[ . 1]" 1
938 1 92 LYS H 1 93 GLU H 3.820 . 3.820 2.398 2.302 2.515 . 0 0 "[ . 1]" 1
939 1 93 GLU H 1 93 GLU QB 3.710 . 3.710 2.449 2.236 2.613 . 0 0 "[ . 1]" 1
940 1 93 GLU HA 1 93 GLU HG2 3.650 . 3.650 3.123 2.263 3.785 0.135 6 0 "[ . 1]" 1
941 1 93 GLU H 1 94 ALA MB 4.930 . 4.930 4.231 4.010 4.530 . 0 0 "[ . 1]" 1
942 1 93 GLU QB 1 94 ALA H 4.630 . 4.630 2.769 2.253 3.427 . 0 0 "[ . 1]" 1
943 1 93 GLU H 1 94 ALA H 3.700 . 3.700 2.471 2.228 2.754 . 0 0 "[ . 1]" 1
944 1 93 GLU H 1 95 PHE H 4.330 . 4.330 3.685 3.119 4.366 0.036 6 0 "[ . 1]" 1
945 1 93 GLU HA 1 96 THR MG 2.680 . 2.680 2.777 2.476 3.706 1.026 1 1 "[+ . 1]" 1
946 1 93 GLU H 1 96 THR MG 5.100 . 5.100 4.080 3.421 5.939 0.839 1 1 "[+ . 1]" 1
947 1 94 ALA H 1 94 ALA MB 3.470 . 3.470 2.360 2.250 2.545 . 0 0 "[ . 1]" 1
948 1 94 ALA MB 1 95 PHE HB2 5.500 . 5.500 4.027 3.516 4.404 . 0 0 "[ . 1]" 1
949 1 94 ALA MB 1 95 PHE H 3.890 . 3.890 2.687 2.503 3.015 . 0 0 "[ . 1]" 1
950 1 94 ALA H 1 95 PHE H 3.450 . 3.450 2.354 1.963 2.671 . 0 0 "[ . 1]" 1
951 1 94 ALA H 1 96 THR MG 4.570 . 4.570 4.167 3.570 5.461 0.891 1 1 "[+ . 1]" 1
952 1 94 ALA H 1 96 THR H 4.750 . 4.750 4.533 4.060 4.913 0.163 3 0 "[ . 1]" 1
953 1 95 PHE H 1 95 PHE HB2 3.870 . 3.870 2.232 2.058 2.513 . 0 0 "[ . 1]" 1
954 1 95 PHE HA 1 95 PHE QD 3.940 . 3.940 2.284 1.909 3.027 . 0 0 "[ . 1]" 1
955 1 95 PHE QD 1 96 THR HA 4.450 . 4.450 5.608 5.009 5.972 1.522 8 10 [***-***+**] 1
956 1 95 PHE HA 1 96 THR H 2.970 . 2.970 2.694 2.586 2.759 . 0 0 "[ . 1]" 1
957 1 95 PHE HB2 1 96 THR H 4.970 . 4.970 4.408 4.225 4.676 . 0 0 "[ . 1]" 1
958 1 95 PHE QD 1 96 THR H 4.490 . 4.490 4.623 4.285 4.979 0.489 5 0 "[ . 1]" 1
959 1 95 PHE H 1 96 THR H 3.480 . 3.480 3.275 2.891 3.433 . 0 0 "[ . 1]" 1
960 1 95 PHE QE 1 101 ALA HA 4.960 . 4.960 5.375 4.431 5.922 0.962 5 5 "[ - +** *1]" 1
961 1 95 PHE HB2 1 101 ALA MB 4.500 . 4.500 4.460 4.223 4.764 0.264 7 0 "[ . 1]" 1
962 1 95 PHE H 1 101 ALA MB 4.910 . 4.910 4.500 4.392 4.641 . 0 0 "[ . 1]" 1
963 1 95 PHE QE 1 108 VAL H 4.170 . 4.170 3.711 3.359 4.704 0.534 4 1 "[ +. 1]" 1
964 1 95 PHE QD 1 109 MET ME 3.120 . 3.120 4.088 2.888 5.494 2.374 4 7 "[* -+.****1]" 1
965 1 95 PHE QE 1 109 MET ME 4.590 . 4.590 4.231 3.260 6.578 1.988 4 1 "[ +. 1]" 1
966 1 95 PHE QD 1 109 MET QG 4.260 . 4.260 3.815 3.322 5.053 0.793 4 1 "[ +. 1]" 1
967 1 96 THR HA 1 96 THR MG 3.720 . 3.720 2.733 2.368 3.273 . 0 0 "[ . 1]" 1
968 1 96 THR H 1 96 THR MG 3.420 . 3.420 2.693 1.954 3.066 . 0 0 "[ . 1]" 1
969 1 96 THR H 1 99 ARG HB2 4.570 . 4.570 2.714 2.502 2.970 . 0 0 "[ . 1]" 1
970 1 96 THR HA 1 101 ALA MB 3.310 . 3.310 3.258 2.983 3.471 0.161 7 0 "[ . 1]" 1
971 1 96 THR H 1 101 ALA MB 3.800 . 3.800 2.823 2.642 3.150 . 0 0 "[ . 1]" 1
972 1 96 THR HA 1 101 ALA H 5.060 . 5.060 4.897 4.700 5.147 0.087 7 0 "[ . 1]" 1
973 1 96 THR H 1 101 ALA H 4.480 . 4.480 4.053 3.556 4.429 . 0 0 "[ . 1]" 1
974 1 98 ALA MB 1 99 ARG HA 4.670 . 4.670 4.128 4.045 4.188 . 0 0 "[ . 1]" 1
975 1 98 ALA MB 1 99 ARG H 3.730 . 3.730 2.944 2.741 3.039 . 0 0 "[ . 1]" 1
976 1 98 ALA MB 1 100 GLY H 5.090 . 5.090 4.396 4.304 4.508 . 0 0 "[ . 1]" 1
977 1 99 ARG H 1 99 ARG HB2 4.150 . 4.150 2.342 2.256 2.441 . 0 0 "[ . 1]" 1
978 1 99 ARG HB2 1 99 ARG HG2 2.980 . 2.980 2.603 2.463 2.832 . 0 0 "[ . 1]" 1
979 1 99 ARG HB2 1 100 GLY H 5.430 . 5.430 3.701 3.402 3.935 . 0 0 "[ . 1]" 1
980 1 99 ARG H 1 100 GLY H 3.390 . 3.390 2.320 2.209 2.488 . 0 0 "[ . 1]" 1
981 1 99 ARG H 1 101 ALA MB 5.450 . 5.450 4.231 4.063 4.462 . 0 0 "[ . 1]" 1
982 1 99 ARG H 1 101 ALA H 4.190 . 4.190 3.392 3.146 3.602 . 0 0 "[ . 1]" 1
983 1 100 GLY H 1 101 ALA MB 4.970 . 4.970 4.122 3.883 4.257 . 0 0 "[ . 1]" 1
984 1 100 GLY H 1 101 ALA H 3.410 . 3.410 2.364 2.154 2.529 . 0 0 "[ . 1]" 1
985 1 101 ALA H 1 101 ALA MB 3.280 . 3.280 2.293 2.240 2.424 . 0 0 "[ . 1]" 1
986 1 101 ALA HA 1 102 ARG HA 4.550 . 4.550 4.390 4.313 4.490 . 0 0 "[ . 1]" 1
987 1 101 ALA HA 1 102 ARG H 3.500 . 3.500 2.233 2.155 2.357 . 0 0 "[ . 1]" 1
988 1 101 ALA MB 1 102 ARG H 3.660 . 3.660 2.740 2.532 3.040 . 0 0 "[ . 1]" 1
989 1 101 ALA H 1 102 ARG H 4.580 . 4.580 4.596 4.549 4.662 0.082 7 0 "[ . 1]" 1
990 1 102 ARG HA 1 103 ARG H 3.170 . 3.170 2.425 2.009 2.851 . 0 0 "[ . 1]" 1
991 1 102 ARG H 1 103 ARG H 4.910 . 4.910 4.450 4.311 4.601 . 0 0 "[ . 1]" 1
992 1 103 ARG H 1 103 ARG HB2 3.400 . 3.400 2.434 2.156 2.605 . 0 0 "[ . 1]" 1
993 1 103 ARG HA 1 103 ARG HG2 3.380 . 3.380 2.601 2.368 2.892 . 0 0 "[ . 1]" 1
994 1 103 ARG H 1 103 ARG HG2 3.840 . 3.840 3.771 3.273 4.355 0.515 2 1 "[ + . 1]" 1
995 1 105 VAL H 1 105 VAL HB 3.290 . 3.290 2.926 2.547 3.238 . 0 0 "[ . 1]" 1
996 1 105 VAL H 1 105 VAL QG 3.350 . 3.350 2.240 1.995 2.610 . 0 0 "[ . 1]" 1
997 1 105 VAL HA 1 106 LYS QB 4.490 . 4.490 4.594 4.237 5.100 0.610 3 1 "[ + . 1]" 1
998 1 105 VAL HA 1 106 LYS H 3.330 . 3.330 2.364 2.096 2.664 . 0 0 "[ . 1]" 1
999 1 105 VAL HB 1 106 LYS H 5.060 . 5.060 4.147 3.788 4.543 . 0 0 "[ . 1]" 1
1000 1 105 VAL QG 1 106 LYS H 3.770 . 3.770 2.415 1.716 3.474 0.084 5 0 "[ . 1]" 1
1001 1 106 LYS H 1 106 LYS QB 3.900 . 3.900 2.849 2.218 3.429 . 0 0 "[ . 1]" 1
1002 1 106 LYS HA 1 107 LYS H 3.330 . 3.330 2.170 2.065 2.267 . 0 0 "[ . 1]" 1
1003 1 107 LYS HA 1 108 VAL QG 5.500 . 5.500 3.551 3.319 3.678 . 0 0 "[ . 1]" 1
1004 1 107 LYS HA 1 108 VAL H 3.360 . 3.360 2.121 2.087 2.172 . 0 0 "[ . 1]" 1
1005 1 107 LYS QB 1 108 VAL H 4.120 . 4.120 3.455 3.348 3.650 . 0 0 "[ . 1]" 1
1006 1 107 LYS H 1 108 VAL H 5.500 . 5.500 4.334 4.238 4.451 . 0 0 "[ . 1]" 1
1007 1 107 LYS H 1 135 ILE MG 5.300 . 5.300 4.417 4.103 4.764 . 0 0 "[ . 1]" 1
1008 1 108 VAL H 1 108 VAL HB 3.920 . 3.920 2.626 2.560 2.674 . 0 0 "[ . 1]" 1
1009 1 108 VAL H 1 108 VAL QG . . 3.820 2.545 2.363 2.630 . 0 0 "[ . 1]" 1
1010 1 108 VAL HA 1 109 MET HA 5.290 . 5.290 4.472 4.446 4.500 . 0 0 "[ . 1]" 1
1011 1 108 VAL QG 1 109 MET HA 4.990 . 4.990 3.757 3.691 3.813 . 0 0 "[ . 1]" 1
1012 1 108 VAL H 1 109 MET QG 5.480 . 5.480 4.245 4.124 4.442 . 0 0 "[ . 1]" 1
1013 1 108 VAL HA 1 109 MET H 3.460 . 3.460 2.163 2.123 2.210 . 0 0 "[ . 1]" 1
1014 1 108 VAL QG 1 109 MET H 3.550 . 3.550 2.594 2.486 2.770 . 0 0 "[ . 1]" 1
1015 1 108 VAL H 1 109 MET H 4.910 . 4.910 4.410 4.363 4.439 . 0 0 "[ . 1]" 1
1016 1 108 VAL QG 1 110 VAL MG2 3.860 . 3.860 2.341 2.162 2.608 . 0 0 "[ . 1]" 1
1017 1 108 VAL QG 1 110 VAL H 5.500 . 5.500 3.919 3.783 4.123 . 0 0 "[ . 1]" 1
1018 1 108 VAL HA 1 135 ILE MG 4.310 . 4.310 3.207 2.972 3.565 . 0 0 "[ . 1]" 1
1019 1 108 VAL H 1 135 ILE MG 5.170 . 5.170 4.160 3.939 4.451 . 0 0 "[ . 1]" 1
1020 1 108 VAL HA 1 136 GLN HA 5.100 . 5.100 4.686 4.558 4.797 . 0 0 "[ . 1]" 1
1021 1 108 VAL QG 1 136 GLN HA 5.500 . 5.500 4.397 4.224 4.692 . 0 0 "[ . 1]" 1
1022 1 108 VAL HA 1 136 GLN H 4.380 . 4.380 3.080 2.789 3.397 . 0 0 "[ . 1]" 1
1023 1 108 VAL QG 1 136 GLN H . . 4.840 3.719 3.539 4.039 . 0 0 "[ . 1]" 1
1024 1 108 VAL QG 1 137 ARG H 5.500 . 5.500 4.884 4.647 5.253 . 0 0 "[ . 1]" 1
1025 1 108 VAL QG 1 138 PHE QD 3.130 . 3.130 2.355 2.180 3.010 . 0 0 "[ . 1]" 1
1026 1 108 VAL HB 1 138 PHE QE 4.520 . 4.520 4.917 4.580 5.088 0.568 8 2 "[ . + -]" 1
1027 1 108 VAL QG 1 138 PHE H 5.500 . 5.500 4.269 4.047 4.509 . 0 0 "[ . 1]" 1
1028 1 108 VAL QG 1 188 LEU QD . . 3.200 1.931 1.606 3.187 0.194 7 0 "[ . 1]" 1
1029 1 109 MET H 1 109 MET HB2 4.130 . 4.130 2.646 2.580 2.738 . 0 0 "[ . 1]" 1
1030 1 109 MET HA 1 109 MET ME 4.230 . 4.230 3.713 3.596 3.824 . 0 0 "[ . 1]" 1
1031 1 109 MET ME 1 109 MET QG 3.410 . 3.410 2.367 2.314 2.402 . 0 0 "[ . 1]" 1
1032 1 109 MET H 1 109 MET QG 5.020 . 5.020 2.972 2.795 3.133 . 0 0 "[ . 1]" 1
1033 1 109 MET HA 1 110 VAL MG2 4.240 . 4.240 3.763 3.696 3.835 . 0 0 "[ . 1]" 1
1034 1 109 MET HA 1 110 VAL H 3.430 . 3.430 2.123 2.089 2.164 . 0 0 "[ . 1]" 1
1035 1 109 MET HB2 1 110 VAL H 4.970 . 4.970 4.391 4.345 4.451 . 0 0 "[ . 1]" 1
1036 1 109 MET QG 1 110 VAL H 4.350 . 4.350 4.261 4.172 4.346 . 0 0 "[ . 1]" 1
1037 1 109 MET H 1 110 VAL H 5.010 . 5.010 4.225 4.103 4.289 . 0 0 "[ . 1]" 1
1038 1 109 MET HA 1 111 ILE MD 5.340 . 5.340 4.077 3.357 4.641 . 0 0 "[ . 1]" 1
1039 1 109 MET QG 1 111 ILE MD 5.090 . 5.090 4.164 3.652 4.747 . 0 0 "[ . 1]" 1
1040 1 109 MET H 1 111 ILE MD 5.160 . 5.160 4.631 4.556 4.804 . 0 0 "[ . 1]" 1
1041 1 109 MET HB2 1 135 ILE MG 4.260 . 4.260 3.039 2.784 3.335 . 0 0 "[ . 1]" 1
1042 1 109 MET ME 1 135 ILE MG 4.030 . 4.030 3.974 3.749 4.082 0.052 3 0 "[ . 1]" 1
1043 1 109 MET QG 1 135 ILE MG 4.130 . 4.130 2.072 1.963 2.209 . 0 0 "[ . 1]" 1
1044 1 109 MET H 1 135 ILE MG 4.020 . 4.020 3.153 2.979 3.407 . 0 0 "[ . 1]" 1
1045 1 109 MET H 1 136 GLN HA 5.150 . 5.150 4.985 4.920 5.120 . 0 0 "[ . 1]" 1
1046 1 109 MET H 1 136 GLN H 5.050 . 5.050 4.190 3.953 4.437 . 0 0 "[ . 1]" 1
1047 1 109 MET HB2 1 137 ARG HA 5.090 . 5.090 2.690 2.287 3.125 . 0 0 "[ . 1]" 1
1048 1 109 MET H 1 137 ARG HA 4.370 . 4.370 2.885 2.477 3.160 . 0 0 "[ . 1]" 1
1049 1 109 MET HB2 1 138 PHE H 5.400 . 5.400 3.966 3.519 4.503 . 0 0 "[ . 1]" 1
1050 1 109 MET H 1 138 PHE H 4.630 . 4.630 3.936 3.702 4.356 . 0 0 "[ . 1]" 1
1051 1 110 VAL H 1 110 VAL HB 3.770 . 3.770 2.485 2.372 2.627 . 0 0 "[ . 1]" 1
1052 1 110 VAL HA 1 110 VAL MG1 3.650 . 3.650 2.387 2.322 2.456 . 0 0 "[ . 1]" 1
1053 1 110 VAL H 1 110 VAL MG1 4.250 . 4.250 3.809 3.730 3.892 . 0 0 "[ . 1]" 1
1054 1 110 VAL HA 1 110 VAL MG2 3.680 . 3.680 2.442 2.369 2.546 . 0 0 "[ . 1]" 1
1055 1 110 VAL H 1 110 VAL MG2 3.870 . 3.870 2.651 2.532 2.802 . 0 0 "[ . 1]" 1
1056 1 110 VAL HA 1 111 ILE HB 4.740 . 4.740 4.831 4.517 4.955 0.215 5 0 "[ . 1]" 1
1057 1 110 VAL HA 1 111 ILE MD 4.510 . 4.510 3.162 3.025 3.591 . 0 0 "[ . 1]" 1
1058 1 110 VAL H 1 111 ILE MD 4.450 . 4.450 3.956 3.255 4.461 0.011 5 0 "[ . 1]" 1
1059 1 110 VAL HA 1 111 ILE H 3.550 . 3.550 2.183 2.150 2.228 . 0 0 "[ . 1]" 1
1060 1 110 VAL HB 1 111 ILE H 5.220 . 5.220 4.348 4.289 4.411 . 0 0 "[ . 1]" 1
1061 1 110 VAL MG1 1 111 ILE H 3.920 . 3.920 2.981 2.803 3.128 . 0 0 "[ . 1]" 1
1062 1 110 VAL MG2 1 111 ILE H 4.430 . 4.430 4.201 4.077 4.326 . 0 0 "[ . 1]" 1
1063 1 110 VAL H 1 111 ILE H 4.990 . 4.990 4.336 4.253 4.412 . 0 0 "[ . 1]" 1
1064 1 110 VAL MG2 1 137 ARG HA 5.290 . 5.290 4.945 4.725 5.328 0.038 6 0 "[ . 1]" 1
1065 1 110 VAL MG1 1 138 PHE HA 5.050 . 5.050 5.213 4.897 5.471 0.421 6 0 "[ . 1]" 1
1066 1 110 VAL MG1 1 138 PHE HB3 4.170 . 4.170 3.515 3.211 3.842 . 0 0 "[ . 1]" 1
1067 1 110 VAL MG2 1 138 PHE HB3 3.680 . 3.680 3.524 3.091 4.072 0.392 4 0 "[ . 1]" 1
1068 1 110 VAL HA 1 138 PHE QD 5.500 . 5.500 3.850 3.358 4.036 . 0 0 "[ . 1]" 1
1069 1 110 VAL MG1 1 138 PHE QD 4.120 . 4.120 4.275 3.446 4.646 0.526 8 2 "[ .- + 1]" 1
1070 1 110 VAL MG2 1 138 PHE QD 3.960 . 3.960 2.550 1.817 2.981 . 0 0 "[ . 1]" 1
1071 1 110 VAL HA 1 138 PHE H 4.340 . 4.340 2.868 2.516 3.324 . 0 0 "[ . 1]" 1
1072 1 110 VAL MG2 1 138 PHE H 4.700 . 4.700 3.868 3.580 4.265 . 0 0 "[ . 1]" 1
1073 1 110 VAL MG1 1 139 SER HA 5.120 . 5.120 4.646 3.988 5.098 . 0 0 "[ . 1]" 1
1074 1 110 VAL MG1 1 140 ILE H 4.990 . 4.990 4.276 4.020 4.518 . 0 0 "[ . 1]" 1
1075 1 110 VAL MG2 1 184 ILE MG 4.890 . 4.890 3.544 2.860 4.967 0.077 4 0 "[ . 1]" 1
1076 1 111 ILE H 1 111 ILE HB 3.910 . 3.910 2.825 2.588 2.937 . 0 0 "[ . 1]" 1
1077 1 111 ILE HB 1 111 ILE MD 2.960 . 2.960 2.265 2.232 2.316 . 0 0 "[ . 1]" 1
1078 1 111 ILE H 1 111 ILE MD 3.480 . 3.480 2.415 2.257 2.982 . 0 0 "[ . 1]" 1
1079 1 111 ILE HG12 1 111 ILE MG 3.690 . 3.690 2.179 2.142 2.231 . 0 0 "[ . 1]" 1
1080 1 111 ILE H 1 111 ILE HG12 5.000 . 5.000 4.296 4.096 4.501 . 0 0 "[ . 1]" 1
1081 1 111 ILE HA 1 111 ILE MG 3.680 . 3.680 2.350 2.287 2.491 . 0 0 "[ . 1]" 1
1082 1 111 ILE H 1 111 ILE MG 4.090 . 4.090 3.961 3.898 3.990 . 0 0 "[ . 1]" 1
1083 1 111 ILE HA 1 112 VAL HB 5.140 . 5.140 4.384 4.276 4.511 . 0 0 "[ . 1]" 1
1084 1 111 ILE HA 1 112 VAL QG 5.260 . 5.260 3.880 3.663 4.083 . 0 0 "[ . 1]" 1
1085 1 111 ILE MG 1 112 VAL QG 4.130 . 4.130 3.469 3.167 3.779 . 0 0 "[ . 1]" 1
1086 1 111 ILE H 1 112 VAL QG 5.500 . 5.500 5.379 5.201 5.504 0.004 8 0 "[ . 1]" 1
1087 1 111 ILE HA 1 112 VAL H 3.470 . 3.470 2.171 2.094 2.258 . 0 0 "[ . 1]" 1
1088 1 111 ILE HB 1 112 VAL H 5.500 . 5.500 3.937 3.674 4.246 . 0 0 "[ . 1]" 1
1089 1 111 ILE HG12 1 112 VAL H 5.410 . 5.410 5.047 4.936 5.196 . 0 0 "[ . 1]" 1
1090 1 111 ILE MG 1 112 VAL H 3.810 . 3.810 2.468 2.268 2.859 . 0 0 "[ . 1]" 1
1091 1 111 ILE H 1 112 VAL H 5.450 . 5.450 4.415 4.376 4.470 . 0 0 "[ . 1]" 1
1092 1 111 ILE HB 1 138 PHE H 5.500 . 5.500 5.373 4.631 5.614 0.114 9 0 "[ . 1]" 1
1093 1 111 ILE HB 1 139 SER HA 4.590 . 4.590 3.563 3.072 3.853 . 0 0 "[ . 1]" 1
1094 1 111 ILE MG 1 139 SER HA 4.860 . 4.860 4.671 4.029 4.979 0.119 10 0 "[ . 1]" 1
1095 1 111 ILE H 1 139 SER HA 4.300 . 4.300 3.191 2.870 3.808 . 0 0 "[ . 1]" 1
1096 1 111 ILE MG 1 139 SER QB 4.790 . 4.790 5.288 4.892 6.031 1.241 10 4 "[ * *. - +]" 1
1097 1 111 ILE HB 1 140 ILE H 5.040 . 5.040 4.486 4.195 4.792 . 0 0 "[ . 1]" 1
1098 1 111 ILE MG 1 140 ILE H 4.680 . 4.680 4.841 4.523 5.248 0.568 5 1 "[ + 1]" 1
1099 1 111 ILE H 1 140 ILE H 4.310 . 4.310 3.855 3.526 4.128 . 0 0 "[ . 1]" 1
1100 1 112 VAL H 1 112 VAL HB 3.770 . 3.770 2.759 2.445 3.013 . 0 0 "[ . 1]" 1
1101 1 112 VAL H 1 112 VAL QG 3.800 . 3.800 2.169 2.059 2.312 . 0 0 "[ . 1]" 1
1102 1 112 VAL HA 1 113 THR MG 5.500 . 5.500 4.592 3.181 5.440 . 0 0 "[ . 1]" 1
1103 1 112 VAL HA 1 113 THR H 3.190 . 3.190 2.235 2.162 2.335 . 0 0 "[ . 1]" 1
1104 1 112 VAL QG 1 113 THR H . . 3.780 2.291 2.119 2.593 . 0 0 "[ . 1]" 1
1105 1 112 VAL HA 1 139 SER HA 5.020 . 5.020 4.350 3.939 4.667 . 0 0 "[ . 1]" 1
1106 1 112 VAL HA 1 140 ILE MG 5.300 . 5.300 4.138 3.542 4.689 . 0 0 "[ . 1]" 1
1107 1 112 VAL QG 1 140 ILE MG 4.100 . 4.100 3.135 2.058 4.201 0.101 9 0 "[ . 1]" 1
1108 1 112 VAL QG 1 140 ILE H 4.670 . 4.670 3.959 3.756 4.340 . 0 0 "[ . 1]" 1
1109 1 112 VAL QG 1 141 ALA H 5.500 . 5.500 4.426 3.930 5.163 . 0 0 "[ . 1]" 1
1110 1 112 VAL QG 1 142 ILE HB . . 3.910 2.790 2.379 3.444 . 0 0 "[ . 1]" 1
1111 1 112 VAL QG 1 142 ILE MG 3.010 . 3.010 2.077 1.943 2.343 . 0 0 "[ . 1]" 1
1112 1 112 VAL QG 1 142 ILE H 4.850 . 4.850 3.401 3.150 4.058 . 0 0 "[ . 1]" 1
1113 1 113 THR HA 1 113 THR MG 3.040 . 3.040 2.732 2.328 3.252 0.212 6 0 "[ . 1]" 1
1114 1 113 THR H 1 113 THR MG 3.700 . 3.700 3.268 2.234 4.023 0.323 10 0 "[ . 1]" 1
1115 1 113 THR MG 1 114 ASP H 3.710 . 3.710 3.176 2.245 3.901 0.191 9 0 "[ . 1]" 1
1116 1 113 THR H 1 114 ASP H 5.010 . 5.010 4.296 4.035 4.410 . 0 0 "[ . 1]" 1
1117 1 113 THR MG 1 115 GLY H 4.330 . 4.330 3.454 2.220 4.818 0.488 7 0 "[ . 1]" 1
1118 1 113 THR H 1 139 SER HA 5.370 . 5.370 5.354 4.774 5.704 0.334 1 0 "[ . 1]" 1
1119 1 113 THR H 1 140 ILE MG 5.050 . 5.050 4.796 4.085 5.714 0.664 9 1 "[ . +1]" 1
1120 1 113 THR H 1 140 ILE H 4.610 . 4.610 3.831 3.379 4.201 . 0 0 "[ . 1]" 1
1121 1 113 THR MG 1 141 ALA HA 4.480 . 4.480 3.626 2.533 5.208 0.728 10 3 "[ - *. +]" 1
1122 1 113 THR H 1 142 ILE MG 4.290 . 4.290 3.327 3.123 3.498 . 0 0 "[ . 1]" 1
1123 1 113 THR MG 1 142 ILE H 5.400 . 5.400 4.396 3.884 5.317 . 0 0 "[ . 1]" 1
1124 1 113 THR H 1 142 ILE H 4.520 . 4.520 3.721 3.520 4.120 . 0 0 "[ . 1]" 1
1125 1 113 THR MG 1 159 GLU QG 4.730 . 4.730 5.798 4.147 7.362 2.632 7 8 "[-***.*+ **]" 1
1126 1 113 THR MG 1 160 ILE MD 3.410 . 3.410 2.332 1.976 3.204 . 0 0 "[ . 1]" 1
1127 1 113 THR HA 1 160 ILE MG 3.590 . 3.590 4.425 2.399 5.976 2.386 10 7 "[*- *.** *+]" 1
1128 1 113 THR HB 1 160 ILE MG 4.420 . 4.420 3.358 2.071 4.146 . 0 0 "[ . 1]" 1
1129 1 113 THR MG 1 160 ILE H 4.480 . 4.480 4.923 3.653 5.973 1.493 4 5 "[ * +. * -*]" 1
1130 1 114 ASP HA 1 141 ALA HA 5.250 . 5.250 4.454 4.031 5.778 0.528 3 1 "[ + . 1]" 1
1131 1 114 ASP HA 1 142 ILE MG 4.350 . 4.350 2.767 2.162 3.194 . 0 0 "[ . 1]" 1
1132 1 114 ASP H 1 142 ILE MG 5.160 . 5.160 3.983 3.294 4.829 . 0 0 "[ . 1]" 1
1133 1 114 ASP HA 1 142 ILE H 4.260 . 4.260 3.233 2.555 4.493 0.233 3 0 "[ . 1]" 1
1134 1 114 ASP HA 1 160 ILE MD 4.860 . 4.860 4.738 4.001 5.750 0.890 10 2 "[ . -+]" 1
1135 1 114 ASP H 1 160 ILE MD 5.500 . 5.500 3.818 2.208 4.852 . 0 0 "[ . 1]" 1
1136 1 115 GLY QA 1 160 ILE MD 5.390 . 5.390 2.296 1.806 3.418 . 0 0 "[ . 1]" 1
1137 1 115 GLY H 1 160 ILE MD 5.100 . 5.100 3.134 2.036 4.587 . 0 0 "[ . 1]" 1
1138 1 115 GLY QA 1 160 ILE H 5.190 . 5.190 5.193 4.383 6.446 1.256 10 2 "[ . - +]" 1
1139 1 116 GLU HA 1 117 SER H 3.110 . 3.110 2.531 2.067 3.145 0.035 6 0 "[ . 1]" 1
1140 1 116 GLU QG 1 117 SER H 5.070 . 5.070 3.921 2.295 4.653 . 0 0 "[ . 1]" 1
1141 1 116 GLU H 1 117 SER H 4.320 . 4.320 3.312 1.779 4.354 0.034 5 0 "[ . 1]" 1
1142 1 116 GLU H 1 160 ILE MD 4.620 . 4.620 2.938 2.129 3.694 . 0 0 "[ . 1]" 1
1143 1 116 GLU H 1 160 ILE MG 5.500 . 5.500 5.642 4.734 6.529 1.029 10 2 "[ - +]" 1
1144 1 117 SER H 1 118 HIS H 4.800 . 4.800 3.556 2.462 4.448 . 0 0 "[ . 1]" 1
1145 1 118 HIS H 1 119 ASP H 3.660 . 3.660 2.719 2.372 3.091 . 0 0 "[ . 1]" 1
1146 1 120 ASN HA 1 120 ASN HD22 5.180 . 5.180 5.379 5.243 5.431 0.251 4 0 "[ . 1]" 1
1147 1 120 ASN HB2 1 120 ASN HD22 4.070 . 4.070 3.674 3.515 4.073 0.003 3 0 "[ . 1]" 1
1148 1 120 ASN HA 1 123 LEU QB 4.950 . 4.950 2.708 1.909 4.157 . 0 0 "[ . 1]" 1
1149 1 120 ASN HB2 1 123 LEU QB 4.870 . 4.870 3.941 2.840 5.508 0.638 1 1 "[+ . 1]" 1
1150 1 120 ASN HA 1 123 LEU QD 4.170 . 4.170 2.954 1.963 4.016 . 0 0 "[ . 1]" 1
1151 1 120 ASN HB2 1 123 LEU QD 5.040 . 5.040 3.613 2.297 4.443 . 0 0 "[ . 1]" 1
1152 1 120 ASN HB2 1 124 LYS H 4.970 . 4.970 4.463 4.158 4.786 . 0 0 "[ . 1]" 1
1153 1 121 HIS HB2 1 122 ARG HA 4.880 . 4.880 4.313 4.026 4.656 . 0 0 "[ . 1]" 1
1154 1 121 HIS HA 1 124 LYS H 5.120 . 5.120 3.789 3.608 4.121 . 0 0 "[ . 1]" 1
1155 1 122 ARG H 1 122 ARG QB 3.610 . 3.610 2.305 2.100 2.463 . 0 0 "[ . 1]" 1
1156 1 122 ARG HA 1 122 ARG QD 4.110 . 4.110 4.016 3.776 4.171 0.061 10 0 "[ . 1]" 1
1157 1 122 ARG QB 1 122 ARG QD 3.350 . 3.350 2.177 2.097 2.482 . 0 0 "[ . 1]" 1
1158 1 122 ARG H 1 122 ARG QD 4.890 . 4.890 3.917 3.026 4.813 . 0 0 "[ . 1]" 1
1159 1 122 ARG HA 1 122 ARG HG2 3.730 . 3.730 2.624 2.435 2.962 . 0 0 "[ . 1]" 1
1160 1 122 ARG H 1 122 ARG HG2 4.050 . 4.050 3.874 3.308 4.580 0.530 10 1 "[ . +]" 1
1161 1 122 ARG H 1 123 LEU QD 5.000 . 5.000 4.923 3.789 5.590 0.590 3 2 "[ + . -]" 1
1162 1 122 ARG QB 1 123 LEU H 4.070 . 4.070 2.691 2.518 2.899 . 0 0 "[ . 1]" 1
1163 1 122 ARG H 1 123 LEU H 3.430 . 3.430 2.610 2.365 2.879 . 0 0 "[ . 1]" 1
1164 1 122 ARG HA 1 124 LYS H 5.420 . 5.420 4.533 4.376 4.820 . 0 0 "[ . 1]" 1
1165 1 122 ARG QB 1 124 LYS H 5.280 . 5.280 4.903 4.679 5.089 . 0 0 "[ . 1]" 1
1166 1 122 ARG HA 1 125 LYS H 5.050 . 5.050 3.438 3.153 3.672 . 0 0 "[ . 1]" 1
1167 1 122 ARG HA 1 126 VAL H 5.450 . 5.450 4.036 3.748 4.380 . 0 0 "[ . 1]" 1
1168 1 123 LEU HA 1 123 LEU QD . . 3.310 2.460 1.930 3.493 0.183 7 0 "[ . 1]" 1
1169 1 123 LEU H 1 123 LEU QD . . 4.230 3.258 2.402 3.720 . 0 0 "[ . 1]" 1
1170 1 123 LEU QB 1 124 LYS H 5.150 . 5.150 2.772 2.373 3.595 . 0 0 "[ . 1]" 1
1171 1 123 LEU QD 1 124 LYS H 4.550 . 4.550 3.263 2.287 4.011 . 0 0 "[ . 1]" 1
1172 1 123 LEU H 1 124 LYS H 3.800 . 3.800 2.820 2.690 2.982 . 0 0 "[ . 1]" 1
1173 1 123 LEU HA 1 126 VAL H 4.560 . 4.560 3.538 3.206 3.718 . 0 0 "[ . 1]" 1
1174 1 123 LEU QD 1 127 ILE H 5.500 . 5.500 4.173 3.445 5.188 . 0 0 "[ . 1]" 1
1175 1 124 LYS HA 1 124 LYS HG2 3.390 . 3.390 2.875 2.364 3.333 . 0 0 "[ . 1]" 1
1176 1 124 LYS H 1 124 LYS HG2 3.600 . 3.600 2.876 2.025 4.456 0.856 8 1 "[ . + 1]" 1
1177 1 124 LYS H 1 125 LYS HA 5.310 . 5.310 5.354 5.280 5.470 0.160 3 0 "[ . 1]" 1
1178 1 124 LYS H 1 125 LYS H 3.580 . 3.580 2.728 2.639 2.858 . 0 0 "[ . 1]" 1
1179 1 124 LYS H 1 126 VAL H 4.640 . 4.640 4.381 4.253 4.502 . 0 0 "[ . 1]" 1
1180 1 124 LYS HA 1 127 ILE HB 4.010 . 4.010 2.705 2.140 3.874 . 0 0 "[ . 1]" 1
1181 1 124 LYS HA 1 127 ILE H 4.130 . 4.130 3.528 3.187 3.760 . 0 0 "[ . 1]" 1
1182 1 125 LYS H 1 125 LYS QB 2.960 . 2.960 2.142 2.084 2.226 . 0 0 "[ . 1]" 1
1183 1 125 LYS HA 1 125 LYS QD 3.690 . 3.690 2.645 2.092 3.371 . 0 0 "[ . 1]" 1
1184 1 125 LYS H 1 125 LYS QD 4.720 . 4.720 4.510 4.433 4.655 . 0 0 "[ . 1]" 1
1185 1 125 LYS H 1 125 LYS QG 4.580 . 4.580 3.737 3.469 3.967 . 0 0 "[ . 1]" 1
1186 1 125 LYS QD 1 126 VAL HA 5.450 . 5.450 4.034 2.918 4.973 . 0 0 "[ . 1]" 1
1187 1 125 LYS H 1 126 VAL HA 5.330 . 5.330 5.310 5.257 5.386 0.056 8 0 "[ . 1]" 1
1188 1 125 LYS QB 1 126 VAL H 3.820 . 3.820 2.562 2.468 2.805 . 0 0 "[ . 1]" 1
1189 1 125 LYS QD 1 126 VAL H 5.500 . 5.500 4.135 3.407 4.755 . 0 0 "[ . 1]" 1
1190 1 125 LYS QG 1 126 VAL H 5.060 . 5.060 4.465 4.292 4.628 . 0 0 "[ . 1]" 1
1191 1 125 LYS H 1 126 VAL H 3.710 . 3.710 2.680 2.597 2.796 . 0 0 "[ . 1]" 1
1192 1 125 LYS HA 1 127 ILE MG 5.500 . 5.500 5.555 4.512 6.448 0.948 5 2 "[ + -1]" 1
1193 1 125 LYS H 1 127 ILE H 4.790 . 4.790 4.067 3.893 4.265 . 0 0 "[ . 1]" 1
1194 1 125 LYS HA 1 128 GLN QB 4.800 . 4.800 3.247 2.585 4.285 . 0 0 "[ . 1]" 1
1195 1 125 LYS HA 1 128 GLN QG 4.360 . 4.360 3.687 2.150 4.794 0.434 4 0 "[ . 1]" 1
1196 1 125 LYS HA 1 128 GLN H 4.170 . 4.170 3.582 3.480 3.710 . 0 0 "[ . 1]" 1
1197 1 125 LYS HA 1 129 ASP H 4.570 . 4.570 4.197 3.921 4.323 . 0 0 "[ . 1]" 1
1198 1 125 LYS QD 1 129 ASP H 4.930 . 4.930 4.060 3.705 4.422 . 0 0 "[ . 1]" 1
1199 1 126 VAL H 1 126 VAL HB 3.550 . 3.550 2.527 2.290 2.720 . 0 0 "[ . 1]" 1
1200 1 126 VAL HB 1 127 ILE H 4.580 . 4.580 2.721 2.564 2.894 . 0 0 "[ . 1]" 1
1201 1 126 VAL H 1 127 ILE H 3.770 . 3.770 2.701 2.579 2.844 . 0 0 "[ . 1]" 1
1202 1 126 VAL H 1 129 ASP HB2 5.500 . 5.500 4.990 4.553 5.426 . 0 0 "[ . 1]" 1
1203 1 126 VAL HA 1 129 ASP H 3.790 . 3.790 3.489 3.317 3.606 . 0 0 "[ . 1]" 1
1204 1 127 ILE H 1 127 ILE HB 3.460 . 3.460 2.279 2.129 2.649 . 0 0 "[ . 1]" 1
1205 1 127 ILE HA 1 127 ILE MD 3.160 . 3.160 2.365 1.922 3.963 0.803 5 1 "[ + 1]" 1
1206 1 127 ILE H 1 127 ILE MD 3.980 . 3.980 2.844 2.343 3.900 . 0 0 "[ . 1]" 1
1207 1 127 ILE H 1 127 ILE HG12 4.610 . 4.610 3.897 2.544 4.668 0.058 10 0 "[ . 1]" 1
1208 1 127 ILE HA 1 127 ILE MG 3.380 . 3.380 2.830 2.409 3.268 . 0 0 "[ . 1]" 1
1209 1 127 ILE H 1 127 ILE MG 3.710 . 3.710 3.531 2.507 3.817 0.107 5 0 "[ . 1]" 1
1210 1 127 ILE HB 1 128 GLN H 4.180 . 4.180 3.014 2.372 3.917 . 0 0 "[ . 1]" 1
1211 1 127 ILE MG 1 128 GLN H 4.040 . 4.040 2.810 2.365 3.419 . 0 0 "[ . 1]" 1
1212 1 127 ILE H 1 128 GLN H 3.930 . 3.930 2.793 2.672 2.880 . 0 0 "[ . 1]" 1
1213 1 127 ILE H 1 129 ASP HB2 5.470 . 5.470 5.038 4.711 5.372 . 0 0 "[ . 1]" 1
1214 1 127 ILE H 1 129 ASP H 4.860 . 4.860 4.150 4.005 4.365 . 0 0 "[ . 1]" 1
1215 1 127 ILE HA 1 130 CYS H 5.030 . 5.030 3.429 3.158 3.682 . 0 0 "[ . 1]" 1
1216 1 128 GLN H 1 128 GLN QB 3.060 . 3.060 2.369 2.171 2.731 . 0 0 "[ . 1]" 1
1217 1 128 GLN HA 1 128 GLN QG 3.840 . 3.840 2.883 2.406 3.396 . 0 0 "[ . 1]" 1
1218 1 128 GLN H 1 128 GLN QG 4.260 . 4.260 3.290 2.121 4.030 . 0 0 "[ . 1]" 1
1219 1 128 GLN QG 1 129 ASP H 4.580 . 4.580 3.107 2.039 4.356 . 0 0 "[ . 1]" 1
1220 1 128 GLN H 1 129 ASP H 3.780 . 3.780 2.683 2.590 2.821 . 0 0 "[ . 1]" 1
1221 1 128 GLN HA 1 130 CYS H 5.270 . 5.270 4.682 4.524 4.868 . 0 0 "[ . 1]" 1
1222 1 128 GLN H 1 130 CYS H 5.170 . 5.170 4.338 4.172 4.505 . 0 0 "[ . 1]" 1
1223 1 128 GLN HA 1 131 GLU HB2 3.190 . 3.190 2.992 2.508 3.793 0.603 3 1 "[ + . 1]" 1
1224 1 128 GLN HA 1 131 GLU H 4.250 . 4.250 3.486 3.265 3.725 . 0 0 "[ . 1]" 1
1225 1 129 ASP H 1 129 ASP HB2 3.560 . 3.560 2.258 2.061 2.579 . 0 0 "[ . 1]" 1
1226 1 129 ASP HB2 1 130 CYS HA 5.030 . 5.030 4.842 4.271 5.459 0.429 1 0 "[ . 1]" 1
1227 1 129 ASP HB2 1 130 CYS H 3.360 . 3.360 2.803 2.494 3.319 . 0 0 "[ . 1]" 1
1228 1 129 ASP H 1 130 CYS H 3.630 . 3.630 2.735 2.674 2.829 . 0 0 "[ . 1]" 1
1229 1 129 ASP HB2 1 131 GLU H 4.540 . 4.540 5.011 4.842 5.431 0.891 5 2 "[- + 1]" 1
1230 1 129 ASP HA 1 132 ASP H 4.400 . 4.400 3.593 3.401 3.815 . 0 0 "[ . 1]" 1
1231 1 130 CYS H 1 130 CYS HB2 3.700 . 3.700 2.996 2.476 3.641 . 0 0 "[ . 1]" 1
1232 1 130 CYS HB2 1 131 GLU H 4.140 . 4.140 3.425 2.833 4.194 0.054 9 0 "[ . 1]" 1
1233 1 130 CYS H 1 131 GLU H 3.730 . 3.730 2.657 2.537 2.795 . 0 0 "[ . 1]" 1
1234 1 130 CYS HA 1 132 ASP H 4.050 . 4.050 4.415 4.263 4.559 0.509 2 1 "[ + . 1]" 1
1235 1 130 CYS H 1 132 ASP H 4.800 . 4.800 4.328 4.188 4.499 . 0 0 "[ . 1]" 1
1236 1 130 CYS HA 1 133 GLU H 4.090 . 4.090 3.300 3.056 3.474 . 0 0 "[ . 1]" 1
1237 1 130 CYS HA 1 135 ILE MD 4.280 . 4.280 2.437 2.286 2.685 . 0 0 "[ . 1]" 1
1238 1 131 GLU H 1 131 GLU HB2 3.490 . 3.490 2.369 2.108 2.569 . 0 0 "[ . 1]" 1
1239 1 131 GLU H 1 131 GLU HG2 5.500 . 5.500 4.468 3.720 4.631 . 0 0 "[ . 1]" 1
1240 1 131 GLU HB2 1 132 ASP H 3.650 . 3.650 3.575 2.558 4.027 0.377 3 0 "[ . 1]" 1
1241 1 131 GLU HG2 1 132 ASP H 4.210 . 4.210 4.302 3.772 5.006 0.796 2 2 "[ + .- 1]" 1
1242 1 131 GLU H 1 132 ASP H 3.850 . 3.850 2.584 2.526 2.643 . 0 0 "[ . 1]" 1
1243 1 131 GLU H 1 133 GLU H 5.220 . 5.220 3.895 3.669 4.159 . 0 0 "[ . 1]" 1
1244 1 131 GLU HA 1 135 ILE H 4.980 . 4.980 3.850 3.440 4.408 . 0 0 "[ . 1]" 1
1245 1 132 ASP H 1 132 ASP HB2 3.670 . 3.670 2.440 2.125 2.703 . 0 0 "[ . 1]" 1
1246 1 132 ASP H 1 133 GLU QG 5.500 . 5.500 5.409 4.753 6.152 0.652 1 1 "[+ . 1]" 1
1247 1 132 ASP HB2 1 133 GLU H 4.420 . 4.420 3.760 3.260 4.055 . 0 0 "[ . 1]" 1
1248 1 132 ASP H 1 133 GLU H 3.650 . 3.650 2.564 2.466 2.656 . 0 0 "[ . 1]" 1
1249 1 132 ASP HA 1 134 ASN H 4.210 . 4.210 3.780 3.472 4.433 0.223 3 0 "[ . 1]" 1
1250 1 132 ASP H 1 134 ASN H 4.580 . 4.580 3.859 3.767 3.959 . 0 0 "[ . 1]" 1
1251 1 133 GLU H 1 133 GLU HB2 3.830 . 3.830 2.170 2.092 2.435 . 0 0 "[ . 1]" 1
1252 1 133 GLU HA 1 133 GLU QG 3.450 . 3.450 2.469 2.097 2.698 . 0 0 "[ . 1]" 1
1253 1 133 GLU H 1 133 GLU QG 4.060 . 4.060 3.353 2.790 3.999 . 0 0 "[ . 1]" 1
1254 1 133 GLU H 1 134 ASN HA 4.490 . 4.490 4.722 4.583 4.819 0.329 4 0 "[ . 1]" 1
1255 1 133 GLU H 1 134 ASN QD 4.880 . 4.880 4.653 4.427 4.970 0.090 3 0 "[ . 1]" 1
1256 1 133 GLU HA 1 134 ASN QD 4.040 . 4.040 3.547 3.204 3.911 . 0 0 "[ . 1]" 1
1257 1 133 GLU QG 1 134 ASN H 4.880 . 4.880 4.722 4.422 4.902 0.022 5 0 "[ . 1]" 1
1258 1 133 GLU H 1 134 ASN H 3.390 . 3.390 2.552 2.497 2.659 . 0 0 "[ . 1]" 1
1259 1 133 GLU QG 1 135 ILE MD 5.500 . 5.500 3.056 2.652 3.832 . 0 0 "[ . 1]" 1
1260 1 133 GLU H 1 135 ILE MD 5.170 . 5.170 4.601 4.449 5.002 . 0 0 "[ . 1]" 1
1261 1 133 GLU H 1 135 ILE H 4.340 . 4.340 4.259 4.103 4.458 0.118 3 0 "[ . 1]" 1
1262 1 134 ASN H 1 134 ASN QD . . 4.430 3.199 2.964 3.879 . 0 0 "[ . 1]" 1
1263 1 134 ASN H 1 135 ILE MD 5.200 . 5.200 5.054 4.696 5.622 0.422 1 0 "[ . 1]" 1
1264 1 134 ASN QB 1 135 ILE H 4.380 . 4.380 4.002 3.929 4.049 . 0 0 "[ . 1]" 1
1265 1 134 ASN H 1 135 ILE H 3.700 . 3.700 2.811 2.381 3.042 . 0 0 "[ . 1]" 1
1266 1 134 ASN QB 1 192 ILE MD 4.790 . 4.790 2.760 1.898 5.936 1.146 4 1 "[ +. 1]" 1
1267 1 135 ILE H 1 135 ILE HB 3.510 . 3.510 2.505 2.302 2.629 . 0 0 "[ . 1]" 1
1268 1 135 ILE H 1 135 ILE MD 4.150 . 4.150 3.739 3.609 3.984 . 0 0 "[ . 1]" 1
1269 1 135 ILE HA 1 135 ILE MG 3.570 . 3.570 2.435 2.350 2.596 . 0 0 "[ . 1]" 1
1270 1 135 ILE H 1 135 ILE MG 4.220 . 4.220 3.817 3.739 3.873 . 0 0 "[ . 1]" 1
1271 1 135 ILE HA 1 136 GLN H 3.430 . 3.430 2.213 2.171 2.266 . 0 0 "[ . 1]" 1
1272 1 135 ILE MD 1 136 GLN H 5.500 . 5.500 5.019 4.753 5.121 . 0 0 "[ . 1]" 1
1273 1 135 ILE MG 1 136 GLN H 4.030 . 4.030 2.455 2.366 2.616 . 0 0 "[ . 1]" 1
1274 1 135 ILE MG 1 137 ARG H 5.220 . 5.220 4.154 3.647 4.587 . 0 0 "[ . 1]" 1
1275 1 135 ILE HA 1 192 ILE MD 5.030 . 5.030 5.574 4.036 8.534 3.504 4 5 "[ *+.- * *]" 1
1276 1 136 GLN H 1 137 ARG H 5.010 . 5.010 4.341 4.219 4.514 . 0 0 "[ . 1]" 1
1277 1 137 ARG HA 1 138 PHE H 3.570 . 3.570 2.149 2.117 2.225 . 0 0 "[ . 1]" 1
1278 1 138 PHE HA 1 138 PHE QD 4.280 . 4.280 2.627 2.237 2.852 . 0 0 "[ . 1]" 1
1279 1 138 PHE H 1 138 PHE QD 4.110 . 4.110 3.259 3.035 3.659 . 0 0 "[ . 1]" 1
1280 1 138 PHE HA 1 139 SER H 3.330 . 3.330 2.161 2.130 2.198 . 0 0 "[ . 1]" 1
1281 1 138 PHE HB3 1 139 SER H 4.160 . 4.160 3.230 3.008 3.648 . 0 0 "[ . 1]" 1
1282 1 138 PHE HA 1 164 ALA MB 5.500 . 5.500 5.149 4.656 6.132 0.632 4 1 "[ +. 1]" 1
1283 1 138 PHE HA 1 171 HIS HA 4.610 . 4.610 3.317 2.771 4.400 . 0 0 "[ . 1]" 1
1284 1 138 PHE HB3 1 171 HIS HA 4.990 . 4.990 4.379 3.849 4.751 . 0 0 "[ . 1]" 1
1285 1 138 PHE QD 1 171 HIS HA 3.660 . 3.660 2.408 1.960 3.580 . 0 0 "[ . 1]" 1
1286 1 138 PHE HA 1 171 HIS HB3 4.520 . 4.520 3.857 3.379 4.693 0.173 4 0 "[ . 1]" 1
1287 1 138 PHE HA 1 172 PHE HA 5.140 . 5.140 4.677 4.212 5.385 0.245 4 0 "[ . 1]" 1
1288 1 138 PHE QD 1 184 ILE HA 4.830 . 4.830 4.893 4.264 6.010 1.180 4 2 "[ +. -]" 1
1289 1 138 PHE QE 1 184 ILE HA 4.520 . 4.520 3.725 2.942 5.623 1.103 4 1 "[ +. 1]" 1
1290 1 138 PHE HB3 1 184 ILE MD 4.190 . 4.190 3.562 3.050 4.030 . 0 0 "[ . 1]" 1
1291 1 138 PHE QD 1 184 ILE QG 5.500 . 5.500 3.326 2.714 4.413 . 0 0 "[ . 1]" 1
1292 1 138 PHE HB3 1 184 ILE MG 5.500 . 5.500 4.468 3.864 5.085 . 0 0 "[ . 1]" 1
1293 1 138 PHE QE 1 184 ILE MG 4.460 . 4.460 3.380 2.888 4.614 0.154 4 0 "[ . 1]" 1
1294 1 138 PHE QE 1 187 THR MG 3.440 . 3.440 3.301 2.660 4.761 1.321 4 2 "[- +. 1]" 1
1295 1 138 PHE QE 1 188 LEU HA 5.040 . 5.040 4.919 4.549 5.540 0.500 3 0 "[ . 1]" 1
1296 1 138 PHE QE 1 188 LEU QD 3.580 . 3.580 2.176 1.869 3.067 . 0 0 "[ . 1]" 1
1297 1 138 PHE QE 1 188 LEU HG 4.260 . 4.260 3.820 3.171 4.559 0.299 6 0 "[ . 1]" 1
1298 1 138 PHE QE 1 188 LEU H 5.450 . 5.450 5.198 4.884 5.785 0.335 4 0 "[ . 1]" 1
1299 1 139 SER H 1 140 ILE MD 4.870 . 4.870 4.130 3.498 6.331 1.461 9 2 "[ . - +1]" 1
1300 1 139 SER HA 1 140 ILE H 3.510 . 3.510 2.154 2.104 2.262 . 0 0 "[ . 1]" 1
1301 1 139 SER QB 1 140 ILE H 4.380 . 4.380 3.466 3.190 3.808 . 0 0 "[ . 1]" 1
1302 1 139 SER H 1 140 ILE H 5.230 . 5.230 4.355 4.251 4.496 . 0 0 "[ . 1]" 1
1303 1 139 SER HA 1 160 ILE MG 5.070 . 5.070 4.451 3.891 5.222 0.152 5 0 "[ . 1]" 1
1304 1 139 SER QB 1 160 ILE MG 3.770 . 3.770 2.934 2.547 3.386 . 0 0 "[ . 1]" 1
1305 1 139 SER H 1 164 ALA MB 4.300 . 4.300 4.928 4.449 5.382 1.082 4 7 "[* +-** **]" 1
1306 1 139 SER H 1 171 HIS HB3 4.850 . 4.850 4.057 3.618 4.378 . 0 0 "[ . 1]" 1
1307 1 139 SER H 1 172 PHE HA 4.060 . 4.060 3.025 2.825 3.420 . 0 0 "[ . 1]" 1
1308 1 139 SER H 1 172 PHE H 5.250 . 5.250 4.876 4.625 5.257 0.007 4 0 "[ . 1]" 1
1309 1 139 SER H 1 173 PHE H 4.650 . 4.650 4.358 3.846 4.887 0.237 3 0 "[ . 1]" 1
1310 1 140 ILE HA 1 140 ILE MD 4.530 . 4.530 3.029 2.289 4.234 . 0 0 "[ . 1]" 1
1311 1 140 ILE MD 1 140 ILE MG 3.350 . 3.350 2.274 1.994 3.221 . 0 0 "[ . 1]" 1
1312 1 140 ILE H 1 140 ILE MD 4.550 . 4.550 3.122 2.463 3.809 . 0 0 "[ . 1]" 1
1313 1 140 ILE H 1 140 ILE MG 4.450 . 4.450 3.793 3.192 3.937 . 0 0 "[ . 1]" 1
1314 1 140 ILE HA 1 141 ALA MB 4.800 . 4.800 3.998 3.911 4.100 . 0 0 "[ . 1]" 1
1315 1 140 ILE MG 1 141 ALA MB 4.650 . 4.650 4.259 3.915 4.925 0.275 9 0 "[ . 1]" 1
1316 1 140 ILE HA 1 141 ALA H 3.350 . 3.350 2.186 2.128 2.236 . 0 0 "[ . 1]" 1
1317 1 140 ILE MD 1 141 ALA H 4.170 . 4.170 4.686 4.104 5.162 0.992 7 5 "[* -*+ *1]" 1
1318 1 140 ILE MG 1 141 ALA H 3.920 . 3.920 2.827 2.532 3.519 . 0 0 "[ . 1]" 1
1319 1 140 ILE MG 1 142 ILE HA 5.500 . 5.500 5.051 4.062 6.404 0.904 9 1 "[ . +1]" 1
1320 1 140 ILE MG 1 142 ILE H 4.530 . 4.530 5.152 4.188 6.466 1.936 9 7 "[ -*** *+*]" 1
1321 1 140 ILE MD 1 173 PHE HA 5.110 . 5.110 5.921 5.216 7.243 2.133 9 8 "[ * *****+-]" 1
1322 1 140 ILE MD 1 173 PHE QB 4.740 . 4.740 4.342 2.948 5.041 0.301 5 0 "[ . 1]" 1
1323 1 140 ILE MG 1 173 PHE QB 5.500 . 5.500 3.724 1.982 4.794 . 0 0 "[ . 1]" 1
1324 1 140 ILE HA 1 173 PHE QD 5.340 . 5.340 4.385 4.040 5.577 0.237 6 0 "[ . 1]" 1
1325 1 140 ILE MD 1 173 PHE QD 4.140 . 4.140 3.768 2.347 5.778 1.638 9 2 "[ .- +1]" 1
1326 1 140 ILE HA 1 173 PHE H 4.240 . 4.240 2.727 2.407 2.935 . 0 0 "[ . 1]" 1
1327 1 140 ILE MD 1 173 PHE H 4.000 . 4.000 4.150 3.286 6.013 2.013 9 2 "[ . - +1]" 1
1328 1 140 ILE MG 1 173 PHE H 5.330 . 5.330 3.909 3.273 4.380 . 0 0 "[ . 1]" 1
1329 1 140 ILE MG 1 174 ASN HA 4.310 . 4.310 3.236 2.646 4.112 . 0 0 "[ . 1]" 1
1330 1 140 ILE MD 1 174 ASN H 5.500 . 5.500 5.945 5.396 6.601 1.101 9 4 "[ ** -+1]" 1
1331 1 140 ILE MG 1 175 VAL HA 3.590 . 3.590 2.780 2.161 3.938 0.348 9 0 "[ . 1]" 1
1332 1 140 ILE MG 1 175 VAL HB 4.000 . 4.000 4.198 3.962 5.642 1.642 9 1 "[ . +1]" 1
1333 1 140 ILE MG 1 175 VAL QG 3.640 . 3.640 2.113 1.861 3.326 . 0 0 "[ . 1]" 1
1334 1 140 ILE HA 1 175 VAL H 5.500 . 5.500 5.003 4.543 5.330 . 0 0 "[ . 1]" 1
1335 1 140 ILE MG 1 175 VAL H 4.140 . 4.140 3.063 2.780 4.525 0.385 9 0 "[ . 1]" 1
1336 1 140 ILE MG 1 176 SER H 5.500 . 5.500 4.960 4.547 6.190 0.690 9 1 "[ . +1]" 1
1337 1 140 ILE MD 1 180 ALA MB 4.350 . 4.350 4.779 3.952 5.358 1.008 9 7 "[ **-* *+*]" 1
1338 1 140 ILE MG 1 180 ALA MB 4.910 . 4.910 4.364 3.407 5.553 0.643 3 1 "[ + . 1]" 1
1339 1 141 ALA H 1 141 ALA MB 3.310 . 3.310 2.342 2.236 2.389 . 0 0 "[ . 1]" 1
1340 1 141 ALA HA 1 142 ILE HA 5.080 . 5.080 4.404 4.293 4.442 . 0 0 "[ . 1]" 1
1341 1 141 ALA HA 1 142 ILE MG 4.040 . 4.040 3.501 3.380 3.689 . 0 0 "[ . 1]" 1
1342 1 141 ALA HA 1 142 ILE H 3.410 . 3.410 2.107 1.993 2.182 . 0 0 "[ . 1]" 1
1343 1 141 ALA MB 1 142 ILE H 3.680 . 3.680 2.950 2.605 3.085 . 0 0 "[ . 1]" 1
1344 1 141 ALA H 1 142 ILE H 4.440 . 4.440 4.502 4.459 4.601 0.161 3 0 "[ . 1]" 1
1345 1 141 ALA MB 1 173 PHE HA 5.500 . 5.500 5.012 4.350 5.606 0.106 7 0 "[ . 1]" 1
1346 1 141 ALA MB 1 174 ASN HA 3.330 . 3.330 2.899 2.219 3.365 0.035 6 0 "[ . 1]" 1
1347 1 141 ALA H 1 174 ASN HA 4.030 . 4.030 2.545 2.303 2.761 . 0 0 "[ . 1]" 1
1348 1 141 ALA MB 1 174 ASN HB2 4.850 . 4.850 4.845 4.327 5.594 0.744 7 1 "[ . + 1]" 1
1349 1 141 ALA MB 1 174 ASN H 5.500 . 5.500 4.930 4.199 5.490 . 0 0 "[ . 1]" 1
1350 1 141 ALA MB 1 175 VAL H 4.620 . 4.620 4.094 3.723 4.447 . 0 0 "[ . 1]" 1
1351 1 141 ALA H 1 175 VAL H 4.860 . 4.860 3.734 3.338 4.030 . 0 0 "[ . 1]" 1
1352 1 142 ILE HA 1 142 ILE MD 4.150 . 4.150 2.504 2.150 3.772 . 0 0 "[ . 1]" 1
1353 1 142 ILE MD 1 142 ILE MG 3.150 . 3.150 3.049 2.062 3.320 0.170 3 0 "[ . 1]" 1
1354 1 142 ILE H 1 142 ILE MG 3.440 . 3.440 2.142 1.997 2.478 . 0 0 "[ . 1]" 1
1355 1 142 ILE HA 1 143 LEU HG 5.160 . 5.160 4.509 3.707 5.138 . 0 0 "[ . 1]" 1
1356 1 142 ILE HA 1 143 LEU H 3.240 . 3.240 2.123 2.051 2.265 . 0 0 "[ . 1]" 1
1357 1 142 ILE MD 1 143 LEU H 5.110 . 5.110 2.819 2.031 4.399 . 0 0 "[ . 1]" 1
1358 1 142 ILE HG12 1 143 LEU H 5.030 . 5.030 4.249 3.223 4.908 . 0 0 "[ . 1]" 1
1359 1 142 ILE HA 1 175 VAL HB 4.660 . 4.660 3.080 2.572 3.630 . 0 0 "[ . 1]" 1
1360 1 142 ILE MD 1 175 VAL HB 4.120 . 4.120 2.682 2.234 4.175 0.055 1 0 "[ . 1]" 1
1361 1 142 ILE HA 1 175 VAL QG . . 3.460 2.841 2.272 3.566 0.106 3 0 "[ . 1]" 1
1362 1 142 ILE HG12 1 175 VAL QG 3.910 . 3.910 3.548 3.179 3.912 0.002 7 0 "[ . 1]" 1
1363 1 142 ILE HA 1 175 VAL H 5.500 . 5.500 3.435 3.196 3.795 . 0 0 "[ . 1]" 1
1364 1 143 LEU HA 1 143 LEU QD 3.250 . 3.250 3.341 2.195 3.485 0.235 4 0 "[ . 1]" 1
1365 1 143 LEU H 1 143 LEU QD 4.140 . 4.140 2.608 1.776 3.304 0.024 9 0 "[ . 1]" 1
1366 1 143 LEU HA 1 143 LEU HG 3.880 . 3.880 3.654 3.139 3.824 . 0 0 "[ . 1]" 1
1367 1 143 LEU H 1 143 LEU HG 3.990 . 3.990 2.833 2.344 3.550 . 0 0 "[ . 1]" 1
1368 1 143 LEU HB2 1 144 GLY H 4.320 . 4.320 2.628 2.291 4.316 . 0 0 "[ . 1]" 1
1369 1 143 LEU QD 1 144 GLY H 4.790 . 4.790 3.480 3.212 3.801 . 0 0 "[ . 1]" 1
1370 1 143 LEU H 1 144 GLY H 4.500 . 4.500 4.351 4.290 4.446 . 0 0 "[ . 1]" 1
1371 1 143 LEU QD 1 153 THR HA 4.540 . 4.540 5.247 4.077 6.942 2.402 9 5 "[-* .* +*]" 1
1372 1 143 LEU QD 1 153 THR HB 4.400 . 4.400 3.436 2.279 5.296 0.896 9 1 "[ . +1]" 1
1373 1 143 LEU QD 1 153 THR MG 3.260 . 3.260 2.947 2.277 4.101 0.841 9 1 "[ . +1]" 1
1374 1 143 LEU QD 1 156 PHE QB 5.320 . 5.320 5.667 4.339 7.510 2.190 9 4 "[ - .* +*]" 1
1375 1 143 LEU H 1 175 VAL QG 4.370 . 4.370 4.304 3.657 4.904 0.534 3 1 "[ + . 1]" 1
1376 1 145 SER H 1 146 TYR H 3.640 . 3.640 2.834 2.148 3.706 0.066 6 0 "[ . 1]" 1
1377 1 146 TYR HA 1 146 TYR QB 2.480 . 2.480 2.405 2.353 2.560 0.080 6 0 "[ . 1]" 1
1378 1 146 TYR H 1 146 TYR QB 3.640 . 3.640 2.778 2.292 3.469 . 0 0 "[ . 1]" 1
1379 1 146 TYR H 1 146 TYR QD 3.790 . 3.790 3.233 2.378 4.423 0.633 1 1 "[+ . 1]" 1
1380 1 146 TYR HA 1 147 ASN QD 4.200 . 4.200 5.724 4.336 6.808 2.608 10 8 "[** *-***+]" 1
1381 1 147 ASN HA 1 148 ARG H 3.380 . 3.380 2.199 2.057 2.499 . 0 0 "[ . 1]" 1
1382 1 147 ASN HB2 1 148 ARG H 4.640 . 4.640 4.305 3.733 4.710 0.070 9 0 "[ . 1]" 1
1383 1 147 ASN HA 1 149 GLY H 4.490 . 4.490 3.607 3.060 4.339 . 0 0 "[ . 1]" 1
1384 1 148 ARG H 1 148 ARG HG2 3.980 . 3.980 3.353 2.150 4.464 0.484 3 0 "[ . 1]" 1
1385 1 148 ARG HB2 1 149 GLY H 4.970 . 4.970 4.102 3.077 4.502 . 0 0 "[ . 1]" 1
1386 1 148 ARG H 1 149 GLY H 3.760 . 3.760 2.320 1.876 2.984 . 0 0 "[ . 1]" 1
1387 1 150 ASN HB2 1 151 LEU H 5.110 . 5.110 4.594 4.429 4.672 . 0 0 "[ . 1]" 1
1388 1 150 ASN HA 1 152 SER H 3.780 . 3.780 3.228 2.854 4.075 0.295 9 0 "[ . 1]" 1
1389 1 151 LEU H 1 151 LEU HG 3.660 . 3.660 2.155 1.780 2.877 0.020 7 0 "[ . 1]" 1
1390 1 151 LEU HA 1 152 SER H 3.500 . 3.500 3.375 3.010 3.572 0.072 9 0 "[ . 1]" 1
1391 1 151 LEU HB2 1 152 SER H 4.320 . 4.320 3.679 2.320 4.268 . 0 0 "[ . 1]" 1
1392 1 151 LEU HG 1 152 SER H 4.260 . 4.260 3.529 2.447 4.773 0.513 2 1 "[ + . 1]" 1
1393 1 151 LEU H 1 152 SER H 5.150 . 5.150 2.306 2.043 2.631 . 0 0 "[ . 1]" 1
1394 1 151 LEU HG 1 153 THR H 3.660 . 3.660 5.072 3.212 7.404 3.744 9 6 "[ ** -** +1]" 1
1395 1 152 SER H 1 152 SER QB 3.700 . 3.700 3.312 2.990 3.544 . 0 0 "[ . 1]" 1
1396 1 152 SER H 1 153 THR MG 4.170 . 4.170 5.014 3.446 5.576 1.406 8 9 "[*- ****+**]" 1
1397 1 152 SER QB 1 154 GLU QB 4.670 . 4.670 4.287 3.548 4.957 0.287 4 0 "[ . 1]" 1
1398 1 152 SER HA 1 154 GLU H 4.510 . 4.510 3.433 3.083 3.566 . 0 0 "[ . 1]" 1
1399 1 152 SER QB 1 154 GLU H 4.690 . 4.690 3.925 3.711 4.328 . 0 0 "[ . 1]" 1
1400 1 152 SER QB 1 155 LYS H 5.390 . 5.390 3.034 2.819 3.368 . 0 0 "[ . 1]" 1
1401 1 153 THR HA 1 153 THR MG 3.140 . 3.140 2.205 2.146 2.325 . 0 0 "[ . 1]" 1
1402 1 153 THR H 1 153 THR MG 4.700 . 4.700 3.099 2.265 3.522 . 0 0 "[ . 1]" 1
1403 1 153 THR MG 1 154 GLU QG 5.500 . 5.500 5.490 5.051 5.962 0.462 8 0 "[ . 1]" 1
1404 1 153 THR HB 1 154 GLU H 4.150 . 4.150 3.233 2.939 3.767 . 0 0 "[ . 1]" 1
1405 1 153 THR MG 1 154 GLU H 4.400 . 4.400 4.237 4.154 4.367 . 0 0 "[ . 1]" 1
1406 1 153 THR H 1 154 GLU H 4.660 . 4.660 2.777 2.605 2.936 . 0 0 "[ . 1]" 1
1407 1 153 THR HA 1 155 LYS H 4.670 . 4.670 4.033 3.570 4.249 . 0 0 "[ . 1]" 1
1408 1 153 THR HA 1 156 PHE QB 5.040 . 5.040 2.875 2.313 3.885 . 0 0 "[ . 1]" 1
1409 1 153 THR HA 1 156 PHE QD 3.410 . 3.410 2.645 1.831 3.335 . 0 0 "[ . 1]" 1
1410 1 153 THR HB 1 156 PHE QD 4.560 . 4.560 5.091 3.741 6.045 1.485 8 4 "[* . +-*]" 1
1411 1 153 THR MG 1 156 PHE QD 3.560 . 3.560 3.462 2.703 4.475 0.915 10 1 "[ . +]" 1
1412 1 153 THR HB 1 156 PHE H 5.500 . 5.500 5.101 4.838 5.260 . 0 0 "[ . 1]" 1
1413 1 153 THR HB 1 157 VAL QG 4.480 . 4.480 3.482 3.028 3.893 . 0 0 "[ . 1]" 1
1414 1 153 THR HA 1 157 VAL H 4.270 . 4.270 4.376 3.913 4.589 0.319 3 0 "[ . 1]" 1
1415 1 154 GLU H 1 154 GLU QB 3.090 . 3.090 2.525 2.023 2.937 . 0 0 "[ . 1]" 1
1416 1 154 GLU HA 1 154 GLU QG 3.520 . 3.520 3.063 2.164 3.571 0.051 8 0 "[ . 1]" 1
1417 1 154 GLU H 1 154 GLU QG 3.910 . 3.910 2.516 1.851 3.319 . 0 0 "[ . 1]" 1
1418 1 154 GLU H 1 154 GLU HG2 3.830 . 3.830 2.603 1.860 3.513 . 0 0 "[ . 1]" 1
1419 1 154 GLU QB 1 155 LYS H 3.540 . 3.540 3.098 2.817 3.515 . 0 0 "[ . 1]" 1
1420 1 154 GLU HG2 1 155 LYS H 4.590 . 4.590 3.785 2.052 5.085 0.495 1 0 "[ . 1]" 1
1421 1 154 GLU H 1 155 LYS H 3.810 . 3.810 2.699 2.603 2.802 . 0 0 "[ . 1]" 1
1422 1 154 GLU HA 1 156 PHE H 4.590 . 4.590 4.042 3.845 4.195 . 0 0 "[ . 1]" 1
1423 1 154 GLU H 1 156 PHE H 4.770 . 4.770 4.101 3.901 4.344 . 0 0 "[ . 1]" 1
1424 1 154 GLU HA 1 157 VAL QG . . 3.540 2.885 1.890 3.378 . 0 0 "[ . 1]" 1
1425 1 154 GLU QB 1 157 VAL QG 4.940 . 4.940 4.263 3.576 4.977 0.037 1 0 "[ . 1]" 1
1426 1 154 GLU HA 1 157 VAL H 3.770 . 3.770 3.357 3.030 3.581 . 0 0 "[ . 1]" 1
1427 1 155 LYS H 1 155 LYS HB2 3.680 . 3.680 2.317 2.118 2.614 . 0 0 "[ . 1]" 1
1428 1 155 LYS HA 1 155 LYS HG2 3.820 . 3.820 3.250 2.642 3.872 0.052 3 0 "[ . 1]" 1
1429 1 155 LYS HB2 1 155 LYS HG2 2.820 . 2.820 2.474 2.419 2.516 . 0 0 "[ . 1]" 1
1430 1 155 LYS H 1 155 LYS HG2 4.180 . 4.180 3.501 2.324 4.629 0.449 3 0 "[ . 1]" 1
1431 1 155 LYS HB2 1 156 PHE H 3.740 . 3.740 3.408 3.015 4.102 0.362 3 0 "[ . 1]" 1
1432 1 155 LYS HG2 1 156 PHE H 5.130 . 5.130 5.024 4.550 5.551 0.421 4 0 "[ . 1]" 1
1433 1 155 LYS H 1 156 PHE H 3.490 . 3.490 2.496 2.392 2.589 . 0 0 "[ . 1]" 1
1434 1 155 LYS HA 1 157 VAL H 4.700 . 4.700 4.369 4.104 4.617 . 0 0 "[ . 1]" 1
1435 1 155 LYS H 1 157 VAL H 4.890 . 4.890 4.066 3.752 4.415 . 0 0 "[ . 1]" 1
1436 1 155 LYS HA 1 158 GLU QB 3.450 . 3.450 3.238 2.103 4.012 0.562 5 1 "[ + 1]" 1
1437 1 155 LYS HA 1 158 GLU H 3.830 . 3.830 3.468 3.158 3.771 . 0 0 "[ . 1]" 1
1438 1 156 PHE H 1 156 PHE QB 3.730 . 3.730 2.317 2.081 2.552 . 0 0 "[ . 1]" 1
1439 1 156 PHE HA 1 156 PHE QD 3.250 . 3.250 2.416 1.957 2.937 . 0 0 "[ . 1]" 1
1440 1 156 PHE H 1 157 VAL HA 5.280 . 5.280 5.072 4.911 5.302 0.022 3 0 "[ . 1]" 1
1441 1 156 PHE HA 1 157 VAL QG 5.350 . 5.350 4.689 4.441 4.855 . 0 0 "[ . 1]" 1
1442 1 156 PHE QB 1 157 VAL QG 4.450 . 4.450 3.050 2.743 3.451 . 0 0 "[ . 1]" 1
1443 1 156 PHE QB 1 157 VAL H 4.070 . 4.070 2.713 2.558 3.029 . 0 0 "[ . 1]" 1
1444 1 156 PHE H 1 157 VAL H 3.460 . 3.460 2.372 2.179 2.618 . 0 0 "[ . 1]" 1
1445 1 156 PHE H 1 158 GLU H 4.570 . 4.570 3.840 3.488 4.130 . 0 0 "[ . 1]" 1
1446 1 157 VAL H 1 157 VAL HB 3.510 . 3.510 2.666 2.317 3.618 0.108 9 0 "[ . 1]" 1
1447 1 157 VAL HA 1 157 VAL QG . . 3.200 2.179 2.113 2.342 . 0 0 "[ . 1]" 1
1448 1 157 VAL H 1 157 VAL QG . . 3.100 2.156 1.866 2.510 . 0 0 "[ . 1]" 1
1449 1 157 VAL QG 1 158 GLU HA 4.150 . 4.150 3.591 3.183 4.303 0.153 4 0 "[ . 1]" 1
1450 1 157 VAL QG 1 158 GLU H 3.950 . 3.950 3.254 2.667 3.519 . 0 0 "[ . 1]" 1
1451 1 157 VAL HA 1 159 GLU QG 5.470 . 5.470 4.404 3.120 5.804 0.334 3 0 "[ . 1]" 1
1452 1 157 VAL HA 1 159 GLU H 5.330 . 5.330 4.245 3.836 4.723 . 0 0 "[ . 1]" 1
1453 1 157 VAL HA 1 160 ILE HB 4.190 . 4.190 3.459 3.007 4.108 . 0 0 "[ . 1]" 1
1454 1 157 VAL HA 1 160 ILE MD 3.690 . 3.690 2.576 1.947 4.195 0.505 8 1 "[ . + 1]" 1
1455 1 157 VAL QG 1 161 LYS HA 5.500 . 5.500 4.642 4.083 5.414 . 0 0 "[ . 1]" 1
1456 1 157 VAL QG 1 161 LYS QD 3.750 . 3.750 3.208 2.082 4.662 0.912 4 1 "[ +. 1]" 1
1457 1 157 VAL HA 1 161 LYS H 5.150 . 5.150 4.216 4.012 4.658 . 0 0 "[ . 1]" 1
1458 1 158 GLU H 1 158 GLU QB 3.050 . 3.050 2.443 2.145 2.714 . 0 0 "[ . 1]" 1
1459 1 158 GLU HA 1 158 GLU QG 3.690 . 3.690 3.229 2.282 3.569 . 0 0 "[ . 1]" 1
1460 1 158 GLU H 1 158 GLU QG 3.340 . 3.340 2.621 2.192 4.119 0.779 9 1 "[ . +1]" 1
1461 1 158 GLU QB 1 159 GLU H 3.440 . 3.440 3.380 2.328 3.754 0.314 3 0 "[ . 1]" 1
1462 1 158 GLU H 1 159 GLU H 3.750 . 3.750 2.941 2.790 3.255 . 0 0 "[ . 1]" 1
1463 1 158 GLU HA 1 161 LYS HB2 4.340 . 4.340 4.253 3.132 4.854 0.514 9 1 "[ . +1]" 1
1464 1 158 GLU HA 1 161 LYS QD 3.810 . 3.810 2.514 2.091 3.497 . 0 0 "[ . 1]" 1
1465 1 158 GLU HA 1 161 LYS HE2 4.680 . 4.680 3.984 2.052 5.612 0.932 2 1 "[ + . 1]" 1
1466 1 158 GLU HA 1 161 LYS QG 5.080 . 5.080 2.262 1.826 3.486 . 0 0 "[ . 1]" 1
1467 1 158 GLU HA 1 161 LYS H 4.360 . 4.360 3.241 2.907 3.534 . 0 0 "[ . 1]" 1
1468 1 159 GLU H 1 159 GLU HB2 3.710 . 3.710 3.213 2.549 3.661 . 0 0 "[ . 1]" 1
1469 1 159 GLU HB2 1 159 GLU QG 2.530 . 2.530 2.298 2.159 2.496 . 0 0 "[ . 1]" 1
1470 1 159 GLU QG 1 160 ILE HA 4.500 . 4.500 4.849 3.963 6.020 1.520 3 4 "[ *+ . - *]" 1
1471 1 159 GLU H 1 160 ILE HB 4.810 . 4.810 5.139 4.693 5.348 0.538 1 2 "[+ .- 1]" 1
1472 1 159 GLU QG 1 160 ILE MD 4.020 . 4.020 3.672 1.969 5.201 1.181 2 4 "[ +* . - *]" 1
1473 1 159 GLU H 1 160 ILE MD 5.410 . 5.410 4.542 3.269 5.620 0.210 5 0 "[ . 1]" 1
1474 1 159 GLU QG 1 160 ILE MG 4.570 . 4.570 5.398 4.617 6.494 1.924 3 5 "[ *+ . * -*]" 1
1475 1 159 GLU H 1 160 ILE H 3.830 . 3.830 2.728 2.585 2.922 . 0 0 "[ . 1]" 1
1476 1 159 GLU H 1 161 LYS H 5.050 . 5.050 4.150 3.875 4.454 . 0 0 "[ . 1]" 1
1477 1 160 ILE H 1 160 ILE HB 4.140 . 4.140 2.628 2.423 2.873 . 0 0 "[ . 1]" 1
1478 1 160 ILE HA 1 160 ILE MD 3.310 . 3.310 3.854 3.460 4.113 0.803 2 7 "[ +**- ** *]" 1
1479 1 160 ILE MD 1 160 ILE MG 3.230 . 3.230 2.431 1.987 3.196 . 0 0 "[ . 1]" 1
1480 1 160 ILE H 1 160 ILE MD 4.380 . 4.380 3.045 1.780 3.847 0.020 6 0 "[ . 1]" 1
1481 1 160 ILE H 1 160 ILE HG12 4.440 . 4.440 3.580 3.016 3.985 . 0 0 "[ . 1]" 1
1482 1 160 ILE H 1 161 LYS QG 4.480 . 4.480 4.466 3.948 5.885 1.405 2 1 "[ + . 1]" 1
1483 1 160 ILE HB 1 161 LYS H 4.150 . 4.150 2.763 2.459 3.249 . 0 0 "[ . 1]" 1
1484 1 160 ILE MD 1 161 LYS H 4.960 . 4.960 4.270 3.454 5.030 0.070 3 0 "[ . 1]" 1
1485 1 160 ILE MG 1 161 LYS H 4.510 . 4.510 3.767 3.405 4.072 . 0 0 "[ . 1]" 1
1486 1 160 ILE H 1 161 LYS H 4.460 . 4.460 2.392 2.026 2.685 . 0 0 "[ . 1]" 1
1487 1 161 LYS H 1 161 LYS HB2 3.900 . 3.900 3.485 2.598 3.672 . 0 0 "[ . 1]" 1
1488 1 161 LYS HA 1 161 LYS QD 4.400 . 4.400 4.294 3.775 4.584 0.184 6 0 "[ . 1]" 1
1489 1 161 LYS H 1 161 LYS QD 5.300 . 5.300 3.968 3.779 4.353 . 0 0 "[ . 1]" 1
1490 1 161 LYS H 1 161 LYS QG 4.130 . 4.130 2.749 2.119 3.924 . 0 0 "[ . 1]" 1
1491 1 161 LYS HB2 1 162 SER H 4.270 . 4.270 4.265 4.146 4.410 0.140 5 0 "[ . 1]" 1
1492 1 161 LYS QD 1 162 SER H 5.070 . 5.070 4.774 4.417 5.236 0.166 2 0 "[ . 1]" 1
1493 1 161 LYS QG 1 162 SER H 5.360 . 5.360 2.772 2.358 3.717 . 0 0 "[ . 1]" 1
1494 1 161 LYS H 1 162 SER H 3.880 . 3.880 2.671 2.555 2.787 . 0 0 "[ . 1]" 1
1495 1 161 LYS HA 1 163 ILE H 4.010 . 4.010 3.567 3.341 3.747 . 0 0 "[ . 1]" 1
1496 1 161 LYS HA 1 164 ALA MB 4.070 . 4.070 3.951 3.177 4.636 0.566 3 2 "[- + . 1]" 1
1497 1 161 LYS HA 1 164 ALA H 4.610 . 4.610 3.833 3.361 4.546 . 0 0 "[ . 1]" 1
1498 1 161 LYS HA 1 168 THR MG 4.120 . 4.120 3.467 2.728 4.164 0.044 5 0 "[ . 1]" 1
1499 1 161 LYS HB2 1 172 PHE QD 5.430 . 5.430 3.809 3.118 4.343 . 0 0 "[ . 1]" 1
1500 1 162 SER H 1 163 ILE H 4.150 . 4.150 2.685 2.434 2.900 . 0 0 "[ . 1]" 1
1501 1 162 SER HA 1 164 ALA H 4.580 . 4.580 3.714 3.364 4.000 . 0 0 "[ . 1]" 1
1502 1 162 SER H 1 164 ALA H 5.040 . 5.040 4.453 4.104 4.663 . 0 0 "[ . 1]" 1
1503 1 163 ILE H 1 163 ILE HB 3.480 . 3.480 2.361 2.129 2.650 . 0 0 "[ . 1]" 1
1504 1 163 ILE HA 1 163 ILE MD 3.520 . 3.520 3.398 1.919 4.017 0.497 5 0 "[ . 1]" 1
1505 1 163 ILE H 1 163 ILE MD 4.090 . 4.090 3.469 2.527 3.809 . 0 0 "[ . 1]" 1
1506 1 163 ILE H 1 163 ILE MG 4.100 . 4.100 3.554 2.631 3.814 . 0 0 "[ . 1]" 1
1507 1 163 ILE MG 1 164 ALA HA 5.140 . 5.140 3.505 3.126 3.951 . 0 0 "[ . 1]" 1
1508 1 163 ILE MG 1 164 ALA MB 4.730 . 4.730 3.566 2.636 4.331 . 0 0 "[ . 1]" 1
1509 1 163 ILE H 1 164 ALA MB 4.920 . 4.920 4.358 4.185 4.608 . 0 0 "[ . 1]" 1
1510 1 163 ILE HB 1 164 ALA H 4.690 . 4.690 3.181 2.818 3.986 . 0 0 "[ . 1]" 1
1511 1 163 ILE MD 1 164 ALA H 4.280 . 4.280 4.837 4.483 5.109 0.829 3 8 "[ *+*-* ***]" 1
1512 1 163 ILE MG 1 164 ALA H 4.590 . 4.590 3.345 2.683 3.988 . 0 0 "[ . 1]" 1
1513 1 163 ILE H 1 164 ALA H 3.550 . 3.550 2.643 2.483 2.825 . 0 0 "[ . 1]" 1
1514 1 163 ILE MG 1 165 SER H 5.250 . 5.250 4.853 4.551 5.442 0.192 3 0 "[ . 1]" 1
1515 1 164 ALA H 1 164 ALA MB 3.330 . 3.330 2.286 2.260 2.349 . 0 0 "[ . 1]" 1
1516 1 164 ALA H 1 165 SER HA 5.070 . 5.070 5.154 5.031 5.306 0.236 6 0 "[ . 1]" 1
1517 1 164 ALA HA 1 165 SER HB2 4.930 . 4.930 4.966 4.535 5.652 0.722 8 2 "[ - + 1]" 1
1518 1 164 ALA MB 1 165 SER H 3.820 . 3.820 3.389 3.103 3.672 . 0 0 "[ . 1]" 1
1519 1 164 ALA H 1 165 SER H 4.920 . 4.920 4.310 4.020 4.511 . 0 0 "[ . 1]" 1
1520 1 164 ALA MB 1 168 THR HA 4.560 . 4.560 3.167 2.604 3.993 . 0 0 "[ . 1]" 1
1521 1 164 ALA MB 1 168 THR HB 5.500 . 5.500 4.934 4.358 6.054 0.554 1 1 "[+ . 1]" 1
1522 1 164 ALA HA 1 168 THR MG 4.910 . 4.910 5.309 4.582 6.203 1.293 1 4 "[+ * . *- 1]" 1
1523 1 164 ALA MB 1 168 THR MG 3.430 . 3.430 2.622 1.907 3.691 0.261 1 0 "[ . 1]" 1
1524 1 164 ALA H 1 168 THR MG 4.970 . 4.970 4.180 3.405 4.665 . 0 0 "[ . 1]" 1
1525 1 164 ALA MB 1 170 LYS QG 4.300 . 4.300 4.961 4.595 5.518 1.218 9 6 "[* - ** *+1]" 1
1526 1 164 ALA MB 1 171 HIS HA 4.430 . 4.430 4.681 4.487 5.064 0.634 4 1 "[ +. 1]" 1
1527 1 164 ALA MB 1 171 HIS HB3 3.290 . 3.290 2.480 2.152 2.751 . 0 0 "[ . 1]" 1
1528 1 164 ALA MB 1 171 HIS H 5.410 . 5.410 4.807 4.413 5.336 . 0 0 "[ . 1]" 1
1529 1 164 ALA MB 1 172 PHE HA 5.220 . 5.220 5.178 4.820 5.563 0.343 1 0 "[ . 1]" 1
1530 1 164 ALA MB 1 172 PHE QD 4.120 . 4.120 4.794 4.086 5.466 1.346 10 6 "[*** .* - +]" 1
1531 1 165 SER HA 1 166 GLU HA 5.350 . 5.350 4.762 4.710 4.812 . 0 0 "[ . 1]" 1
1532 1 165 SER HA 1 166 GLU QG 5.000 . 5.000 5.082 4.857 5.335 0.335 1 0 "[ . 1]" 1
1533 1 165 SER H 1 166 GLU H 4.650 . 4.650 2.512 2.195 2.814 . 0 0 "[ . 1]" 1
1534 1 166 GLU H 1 166 GLU QG 3.400 . 3.400 2.195 1.911 2.527 . 0 0 "[ . 1]" 1
1535 1 166 GLU HA 1 167 PRO HA 4.220 . 4.220 4.384 4.133 4.436 0.216 6 0 "[ . 1]" 1
1536 1 166 GLU QB 1 167 PRO HA 4.270 . 4.270 4.700 4.505 4.937 0.667 3 3 "[ + . * -]" 1
1537 1 166 GLU HA 1 167 PRO QG 5.030 . 5.030 4.185 4.032 4.313 . 0 0 "[ . 1]" 1
1538 1 166 GLU HA 1 168 THR MG 5.500 . 5.500 6.618 5.994 7.318 1.818 7 9 "[** ***+*-*]" 1
1539 1 166 GLU H 1 168 THR MG 5.260 . 5.260 5.879 5.404 6.575 1.315 7 7 "[** *-+ **]" 1
1540 1 167 PRO HA 1 168 THR HA 5.150 . 5.150 4.399 4.367 4.424 . 0 0 "[ . 1]" 1
1541 1 167 PRO HA 1 168 THR MG 5.500 . 5.500 4.621 3.833 5.077 . 0 0 "[ . 1]" 1
1542 1 167 PRO HB2 1 169 GLU H 5.040 . 5.040 3.466 2.900 3.892 . 0 0 "[ . 1]" 1
1543 1 167 PRO HB2 1 170 LYS H 4.870 . 4.870 3.311 2.961 3.707 . 0 0 "[ . 1]" 1
1544 1 167 PRO QG 1 170 LYS H 3.990 . 3.990 4.943 4.068 5.587 1.597 3 8 "[ *+** ***-]" 1
1545 1 168 THR HB 1 169 GLU H 3.500 . 3.500 3.477 3.020 4.003 0.503 3 1 "[ + . 1]" 1
1546 1 168 THR MG 1 169 GLU H 4.670 . 4.670 4.332 4.227 4.392 . 0 0 "[ . 1]" 1
1547 1 168 THR HA 1 170 LYS H 4.190 . 4.190 3.664 3.452 3.814 . 0 0 "[ . 1]" 1
1548 1 168 THR MG 1 171 HIS HA 5.500 . 5.500 5.824 5.154 6.451 0.951 3 4 "[ +*. -* 1]" 1
1549 1 168 THR HA 1 171 HIS H 5.100 . 5.100 3.333 3.158 3.549 . 0 0 "[ . 1]" 1
1550 1 168 THR MG 1 172 PHE HA 4.420 . 4.420 4.518 4.059 5.534 1.114 3 1 "[ + . 1]" 1
1551 1 168 THR MG 1 172 PHE QD 3.410 . 3.410 3.435 3.118 4.026 0.616 3 1 "[ + . 1]" 1
1552 1 168 THR MG 1 172 PHE H 4.990 . 4.990 3.846 3.332 5.195 0.205 3 0 "[ . 1]" 1
1553 1 169 GLU H 1 169 GLU QB 3.270 . 3.270 2.314 2.071 2.522 . 0 0 "[ . 1]" 1
1554 1 169 GLU HA 1 169 GLU HG2 3.800 . 3.800 2.828 2.358 3.256 . 0 0 "[ . 1]" 1
1555 1 169 GLU H 1 169 GLU HG2 3.560 . 3.560 2.794 2.024 3.665 0.105 8 0 "[ . 1]" 1
1556 1 169 GLU QB 1 170 LYS HA 4.450 . 4.450 4.273 4.155 4.344 . 0 0 "[ . 1]" 1
1557 1 169 GLU QB 1 170 LYS H 4.580 . 4.580 3.097 2.939 3.301 . 0 0 "[ . 1]" 1
1558 1 169 GLU H 1 170 LYS H 3.530 . 3.530 2.805 2.755 2.895 . 0 0 "[ . 1]" 1
1559 1 169 GLU H 1 171 HIS H 4.890 . 4.890 4.259 4.174 4.372 . 0 0 "[ . 1]" 1
1560 1 170 LYS HA 1 170 LYS QG 4.020 . 4.020 3.391 3.366 3.405 . 0 0 "[ . 1]" 1
1561 1 170 LYS H 1 170 LYS QG 4.340 . 4.340 2.266 2.122 2.393 . 0 0 "[ . 1]" 1
1562 1 170 LYS H 1 171 HIS HA 5.440 . 5.440 4.873 4.786 4.964 . 0 0 "[ . 1]" 1
1563 1 170 LYS H 1 171 HIS HB3 5.500 . 5.500 5.381 5.060 5.644 0.144 7 0 "[ . 1]" 1
1564 1 170 LYS H 1 171 HIS H 3.250 . 3.250 2.374 2.144 2.556 . 0 0 "[ . 1]" 1
1565 1 170 LYS HB2 1 187 THR MG 4.400 . 4.400 3.133 2.587 3.655 . 0 0 "[ . 1]" 1
1566 1 171 HIS H 1 171 HIS HB3 4.100 . 4.100 3.765 3.530 3.918 . 0 0 "[ . 1]" 1
1567 1 171 HIS HB3 1 172 PHE H 4.330 . 4.330 3.813 3.249 4.425 0.095 3 0 "[ . 1]" 1
1568 1 171 HIS H 1 172 PHE H 3.950 . 3.950 1.866 1.759 2.032 0.041 4 0 "[ . 1]" 1
1569 1 172 PHE H 1 172 PHE HB2 3.650 . 3.650 3.115 2.567 3.543 . 0 0 "[ . 1]" 1
1570 1 172 PHE HA 1 172 PHE QD 3.290 . 3.290 2.813 2.397 3.215 . 0 0 "[ . 1]" 1
1571 1 172 PHE HA 1 173 PHE H 3.290 . 3.290 2.161 2.135 2.205 . 0 0 "[ . 1]" 1
1572 1 172 PHE QD 1 173 PHE H 3.550 . 3.550 3.495 3.056 3.781 0.231 4 0 "[ . 1]" 1
1573 1 172 PHE H 1 173 PHE H 4.960 . 4.960 4.300 4.155 4.399 . 0 0 "[ . 1]" 1
1574 1 173 PHE HA 1 173 PHE QD 4.190 . 4.190 3.364 2.719 3.791 . 0 0 "[ . 1]" 1
1575 1 173 PHE H 1 173 PHE QD 4.220 . 4.220 3.186 2.702 4.008 . 0 0 "[ . 1]" 1
1576 1 173 PHE HA 1 174 ASN HA 5.150 . 5.150 4.368 4.248 4.445 . 0 0 "[ . 1]" 1
1577 1 173 PHE HA 1 174 ASN H 3.290 . 3.290 2.498 2.420 2.617 . 0 0 "[ . 1]" 1
1578 1 173 PHE QB 1 174 ASN H 3.810 . 3.810 2.178 2.110 2.313 . 0 0 "[ . 1]" 1
1579 1 173 PHE QD 1 174 ASN H 4.210 . 4.210 3.257 2.405 3.900 . 0 0 "[ . 1]" 1
1580 1 173 PHE H 1 174 ASN H 4.900 . 4.900 4.398 4.348 4.456 . 0 0 "[ . 1]" 1
1581 1 173 PHE QD 1 177 ASP HB3 4.770 . 4.770 3.579 2.647 4.789 0.019 9 0 "[ . 1]" 1
1582 1 173 PHE QD 1 180 ALA HA 4.580 . 4.580 4.079 2.492 5.085 0.505 2 2 "[ +- . 1]" 1
1583 1 173 PHE HA 1 180 ALA MB 5.060 . 5.060 4.018 3.376 4.461 . 0 0 "[ . 1]" 1
1584 1 173 PHE QD 1 180 ALA MB 3.470 . 3.470 2.452 2.211 2.719 . 0 0 "[ . 1]" 1
1585 1 173 PHE QD 1 180 ALA H 5.270 . 5.270 4.718 3.977 5.255 . 0 0 "[ . 1]" 1
1586 1 173 PHE QD 1 183 THR HB 4.920 . 4.920 4.860 3.740 5.926 1.006 5 4 "[ ** + - 1]" 1
1587 1 173 PHE QD 1 184 ILE HA 5.040 . 5.040 5.927 5.403 6.408 1.368 5 8 "[-** +*** *]" 1
1588 1 173 PHE HA 1 184 ILE MD 5.500 . 5.500 6.098 5.603 7.109 1.609 4 3 "[ +-* 1]" 1
1589 1 173 PHE QB 1 184 ILE MD 5.500 . 5.500 3.857 3.142 5.255 . 0 0 "[ . 1]" 1
1590 1 173 PHE QD 1 184 ILE MD 2.980 . 2.980 2.981 2.425 4.625 1.645 6 2 "[ -.+ 1]" 1
1591 1 173 PHE H 1 184 ILE MD 5.500 . 5.500 5.427 4.916 5.881 0.381 6 0 "[ . 1]" 1
1592 1 173 PHE QD 1 184 ILE QG 4.100 . 4.100 3.835 3.101 4.876 0.776 4 1 "[ +. 1]" 1
1593 1 173 PHE QD 1 184 ILE MG 4.600 . 4.600 5.358 4.805 6.459 1.859 6 7 "[ *- *+** *]" 1
1594 1 174 ASN H 1 174 ASN HB2 3.450 . 3.450 2.447 2.247 2.653 . 0 0 "[ . 1]" 1
1595 1 174 ASN HA 1 175 VAL HA 5.240 . 5.240 4.344 4.286 4.485 . 0 0 "[ . 1]" 1
1596 1 174 ASN HA 1 175 VAL HB 4.600 . 4.600 4.625 4.496 4.851 0.251 4 0 "[ . 1]" 1
1597 1 174 ASN HA 1 175 VAL QG 4.860 . 4.860 3.557 3.347 3.777 . 0 0 "[ . 1]" 1
1598 1 174 ASN HB2 1 175 VAL QG 5.500 . 5.500 5.340 5.182 5.614 0.114 9 0 "[ . 1]" 1
1599 1 174 ASN H 1 175 VAL H 4.710 . 4.710 4.514 4.440 4.572 . 0 0 "[ . 1]" 1
1600 1 174 ASN HB2 1 176 SER H 4.050 . 4.050 3.763 3.265 4.572 0.522 9 1 "[ . +1]" 1
1601 1 174 ASN HB2 1 177 ASP HB3 4.430 . 4.430 3.809 2.996 4.682 0.252 6 0 "[ . 1]" 1
1602 1 174 ASN H 1 177 ASP H 4.400 . 4.400 4.275 4.116 4.386 . 0 0 "[ . 1]" 1
1603 1 174 ASN H 1 180 ALA MB 4.820 . 4.820 3.417 2.601 4.137 . 0 0 "[ . 1]" 1
1604 1 175 VAL H 1 175 VAL HB 3.750 . 3.750 2.441 2.320 2.648 . 0 0 "[ . 1]" 1
1605 1 175 VAL HA 1 175 VAL QG 3.290 . 3.290 2.183 2.167 2.214 . 0 0 "[ . 1]" 1
1606 1 175 VAL H 1 175 VAL QG . . 3.520 2.131 1.874 2.340 . 0 0 "[ . 1]" 1
1607 1 175 VAL QG 1 176 SER HB2 5.500 . 5.500 5.267 5.038 5.525 0.025 4 0 "[ . 1]" 1
1608 1 175 VAL HB 1 176 SER H 4.550 . 4.550 2.979 2.857 3.074 . 0 0 "[ . 1]" 1
1609 1 175 VAL QG 1 176 SER H . . 3.730 3.426 3.357 3.496 . 0 0 "[ . 1]" 1
1610 1 175 VAL H 1 176 SER H 4.060 . 4.060 2.705 2.610 2.798 . 0 0 "[ . 1]" 1
1611 1 175 VAL HA 1 177 ASP H 5.100 . 5.100 3.636 3.571 3.856 . 0 0 "[ . 1]" 1
1612 1 175 VAL HB 1 177 ASP H 5.500 . 5.500 5.034 4.875 5.234 . 0 0 "[ . 1]" 1
1613 1 175 VAL QG 1 177 ASP H . . 5.020 4.341 4.269 4.541 . 0 0 "[ . 1]" 1
1614 1 176 SER H 1 176 SER HB2 3.780 . 3.780 2.926 2.473 3.426 . 0 0 "[ . 1]" 1
1615 1 176 SER H 1 177 ASP HB3 5.020 . 5.020 5.097 4.848 5.430 0.410 6 0 "[ . 1]" 1
1616 1 176 SER HB2 1 177 ASP H 4.950 . 4.950 3.738 3.306 4.062 . 0 0 "[ . 1]" 1
1617 1 176 SER H 1 177 ASP H 3.300 . 3.300 2.713 2.661 2.782 . 0 0 "[ . 1]" 1
1618 1 177 ASP H 1 177 ASP HB3 3.250 . 3.250 2.758 2.616 2.919 . 0 0 "[ . 1]" 1
1619 1 177 ASP HA 1 178 GLU H 3.100 . 3.100 2.129 2.051 2.204 . 0 0 "[ . 1]" 1
1620 1 177 ASP HB3 1 178 GLU H 4.490 . 4.490 4.217 3.849 4.362 . 0 0 "[ . 1]" 1
1621 1 177 ASP HA 1 179 LEU H 4.480 . 4.480 3.431 3.271 3.588 . 0 0 "[ . 1]" 1
1622 1 177 ASP HB3 1 179 LEU H 4.700 . 4.700 4.117 3.358 4.419 . 0 0 "[ . 1]" 1
1623 1 177 ASP HB3 1 180 ALA MB 4.070 . 4.070 2.447 2.005 2.949 . 0 0 "[ . 1]" 1
1624 1 177 ASP H 1 180 ALA MB 4.210 . 4.210 4.275 3.812 4.794 0.584 3 1 "[ + . 1]" 1
1625 1 178 GLU HA 1 178 GLU QB 2.660 . 2.660 2.180 2.168 2.202 . 0 0 "[ . 1]" 1
1626 1 178 GLU H 1 178 GLU QB 2.940 . 2.940 2.697 2.468 2.955 0.015 4 0 "[ . 1]" 1
1627 1 178 GLU HA 1 178 GLU QG 3.370 . 3.370 3.450 3.423 3.544 0.174 8 0 "[ . 1]" 1
1628 1 178 GLU QB 1 178 GLU QG 2.400 . 2.400 2.106 2.030 2.155 . 0 0 "[ . 1]" 1
1629 1 178 GLU H 1 178 GLU QG 3.110 . 3.110 2.265 1.749 2.761 0.051 4 0 "[ . 1]" 1
1630 1 178 GLU QG 1 179 LEU QD 3.470 . 3.470 3.573 2.009 5.557 2.087 4 6 "[ **+- * *]" 1
1631 1 178 GLU H 1 179 LEU QD 5.390 . 5.390 4.754 3.391 5.427 0.037 10 0 "[ . 1]" 1
1632 1 178 GLU HA 1 179 LEU H 3.490 . 3.490 3.460 3.369 3.516 0.026 1 0 "[ . 1]" 1
1633 1 178 GLU QB 1 179 LEU H 3.620 . 3.620 3.781 3.657 3.990 0.370 3 0 "[ . 1]" 1
1634 1 178 GLU QG 1 179 LEU H 3.540 . 3.540 2.860 2.428 3.803 0.263 4 0 "[ . 1]" 1
1635 1 178 GLU H 1 179 LEU H 3.750 . 3.750 2.356 2.109 2.526 . 0 0 "[ . 1]" 1
1636 1 178 GLU HA 1 180 ALA H 3.860 . 3.860 3.976 3.509 4.384 0.524 3 2 "[ + . - 1]" 1
1637 1 178 GLU QB 1 180 ALA H 4.840 . 4.840 5.067 4.760 5.422 0.582 3 2 "[ + . - 1]" 1
1638 1 178 GLU H 1 180 ALA H 4.770 . 4.770 4.043 3.845 4.274 . 0 0 "[ . 1]" 1
1639 1 178 GLU HA 1 181 LEU QD . . 4.930 2.586 2.172 3.101 . 0 0 "[ . 1]" 1
1640 1 179 LEU H 1 179 LEU HB2 3.390 . 3.390 2.485 2.116 2.801 . 0 0 "[ . 1]" 1
1641 1 179 LEU HA 1 179 LEU QD 2.730 . 2.730 2.073 1.923 2.219 . 0 0 "[ . 1]" 1
1642 1 179 LEU HB2 1 179 LEU QD 3.030 . 3.030 2.227 2.149 2.364 . 0 0 "[ . 1]" 1
1643 1 179 LEU H 1 179 LEU QD 3.490 . 3.490 3.380 2.347 3.875 0.385 3 0 "[ . 1]" 1
1644 1 179 LEU H 1 180 ALA MB 4.640 . 4.640 4.023 3.687 4.211 . 0 0 "[ . 1]" 1
1645 1 179 LEU HB2 1 180 ALA H 4.710 . 4.710 3.695 3.161 4.035 . 0 0 "[ . 1]" 1
1646 1 179 LEU H 1 180 ALA H 3.260 . 3.260 2.356 2.031 2.590 . 0 0 "[ . 1]" 1
1647 1 179 LEU HA 1 182 VAL HB 3.500 . 3.500 3.274 2.389 4.324 0.824 3 1 "[ + . 1]" 1
1648 1 179 LEU QD 1 182 VAL HB 2.580 . 2.580 2.701 2.052 3.456 0.876 3 1 "[ + . 1]" 1
1649 1 179 LEU HA 1 182 VAL H 4.530 . 4.530 3.248 2.967 3.836 . 0 0 "[ . 1]" 1
1650 1 179 LEU HA 1 183 THR H 5.150 . 5.150 4.494 3.741 5.636 0.486 3 0 "[ . 1]" 1
1651 1 180 ALA H 1 180 ALA MB 2.900 . 2.900 2.229 2.208 2.244 . 0 0 "[ . 1]" 1
1652 1 180 ALA MB 1 181 LEU HA 4.590 . 4.590 3.929 3.780 4.115 . 0 0 "[ . 1]" 1
1653 1 180 ALA H 1 181 LEU HA 5.500 . 5.500 5.373 5.290 5.442 . 0 0 "[ . 1]" 1
1654 1 180 ALA HA 1 181 LEU QD 5.020 . 5.020 5.194 4.781 5.514 0.494 3 0 "[ . 1]" 1
1655 1 180 ALA MB 1 181 LEU QD 3.820 . 3.820 3.526 2.844 4.114 0.294 3 0 "[ . 1]" 1
1656 1 180 ALA MB 1 181 LEU HG 3.990 . 3.990 3.455 2.851 3.924 . 0 0 "[ . 1]" 1
1657 1 180 ALA MB 1 181 LEU H 3.940 . 3.940 2.673 2.272 3.020 . 0 0 "[ . 1]" 1
1658 1 180 ALA MB 1 182 VAL H 4.710 . 4.710 4.526 4.356 4.663 . 0 0 "[ . 1]" 1
1659 1 180 ALA HA 1 183 THR HB 4.820 . 4.820 2.880 2.548 3.236 . 0 0 "[ . 1]" 1
1660 1 180 ALA HA 1 183 THR MG 5.370 . 5.370 4.076 3.702 4.518 . 0 0 "[ . 1]" 1
1661 1 180 ALA HA 1 183 THR H 4.660 . 4.660 3.273 2.920 3.752 . 0 0 "[ . 1]" 1
1662 1 180 ALA H 1 184 ILE MD 5.300 . 5.300 6.243 5.415 8.191 2.891 4 8 "[* *+*-* **]" 1
1663 1 181 LEU H 1 181 LEU HB2 3.580 . 3.580 2.550 2.408 2.718 . 0 0 "[ . 1]" 1
1664 1 181 LEU HA 1 181 LEU QD 3.400 . 3.400 2.152 2.046 2.290 . 0 0 "[ . 1]" 1
1665 1 181 LEU H 1 181 LEU QD 3.730 . 3.730 3.029 2.751 3.202 . 0 0 "[ . 1]" 1
1666 1 181 LEU HA 1 181 LEU HG 3.980 . 3.980 3.167 2.968 3.377 . 0 0 "[ . 1]" 1
1667 1 181 LEU H 1 181 LEU HG 3.320 . 3.320 2.187 1.869 2.408 . 0 0 "[ . 1]" 1
1668 1 181 LEU HB2 1 182 VAL HB 5.360 . 5.360 5.075 5.018 5.169 . 0 0 "[ . 1]" 1
1669 1 181 LEU H 1 182 VAL HB 5.030 . 5.030 4.917 4.874 5.008 . 0 0 "[ . 1]" 1
1670 1 181 LEU HB2 1 182 VAL H 3.850 . 3.850 2.668 2.582 2.821 . 0 0 "[ . 1]" 1
1671 1 181 LEU QD 1 182 VAL H 5.500 . 5.500 4.091 3.948 4.246 . 0 0 "[ . 1]" 1
1672 1 181 LEU HG 1 182 VAL H 4.670 . 4.670 4.285 3.894 4.579 . 0 0 "[ . 1]" 1
1673 1 181 LEU H 1 182 VAL H 3.860 . 3.860 2.636 2.576 2.677 . 0 0 "[ . 1]" 1
1674 1 181 LEU HA 1 184 ILE HB 4.160 . 4.160 2.845 2.386 3.883 . 0 0 "[ . 1]" 1
1675 1 181 LEU HA 1 184 ILE MD 3.760 . 3.760 3.419 2.062 5.682 1.922 4 2 "[ +. -]" 1
1676 1 181 LEU HA 1 184 ILE MG 4.310 . 4.310 3.695 2.128 4.457 0.147 3 0 "[ . 1]" 1
1677 1 181 LEU HA 1 184 ILE H 4.590 . 4.590 3.373 3.245 3.550 . 0 0 "[ . 1]" 1
1678 1 181 LEU HA 1 185 VAL QG 3.510 . 3.510 4.090 3.908 4.404 0.894 3 6 "[**+ * * -]" 1
1679 1 181 LEU HA 1 185 VAL H 4.110 . 4.110 4.270 4.050 4.588 0.478 3 0 "[ . 1]" 1
1680 1 182 VAL H 1 182 VAL HB 3.200 . 3.200 2.573 2.497 2.621 . 0 0 "[ . 1]" 1
1681 1 182 VAL HB 1 183 THR H 3.580 . 3.580 2.583 2.496 2.869 . 0 0 "[ . 1]" 1
1682 1 182 VAL HA 1 185 VAL QG 4.300 . 4.300 2.879 2.594 3.215 . 0 0 "[ . 1]" 1
1683 1 183 THR H 1 183 THR HB 3.570 . 3.570 2.705 2.572 2.802 . 0 0 "[ . 1]" 1
1684 1 183 THR HA 1 183 THR MG 3.590 . 3.590 2.334 2.285 2.411 . 0 0 "[ . 1]" 1
1685 1 183 THR H 1 183 THR MG 4.350 . 4.350 3.746 3.680 3.802 . 0 0 "[ . 1]" 1
1686 1 183 THR MG 1 184 ILE HA 4.970 . 4.970 4.020 3.731 4.240 . 0 0 "[ . 1]" 1
1687 1 183 THR HB 1 184 ILE MD 5.500 . 5.500 4.006 2.873 4.961 . 0 0 "[ . 1]" 1
1688 1 183 THR MG 1 184 ILE MD 5.500 . 5.500 4.402 3.452 5.513 0.013 9 0 "[ . 1]" 1
1689 1 183 THR H 1 184 ILE MD 5.220 . 5.220 5.067 4.285 6.310 1.090 4 1 "[ +. 1]" 1
1690 1 183 THR HB 1 184 ILE QG 4.560 . 4.560 4.189 3.258 5.765 1.205 4 2 "[ +. -]" 1
1691 1 183 THR MG 1 184 ILE MG 5.500 . 5.500 5.491 5.222 5.804 0.304 8 0 "[ . 1]" 1
1692 1 183 THR HB 1 184 ILE H 4.610 . 4.610 2.732 2.524 2.973 . 0 0 "[ . 1]" 1
1693 1 183 THR MG 1 184 ILE H 3.820 . 3.820 3.835 3.681 4.013 0.193 3 0 "[ . 1]" 1
1694 1 183 THR H 1 184 ILE H 3.770 . 3.770 2.718 2.665 2.863 . 0 0 "[ . 1]" 1
1695 1 183 THR HA 1 186 LYS QB 3.500 . 3.500 2.803 2.342 3.756 0.256 7 0 "[ . 1]" 1
1696 1 183 THR HA 1 186 LYS H 4.270 . 4.270 3.451 3.299 3.746 . 0 0 "[ . 1]" 1
1697 1 184 ILE H 1 184 ILE HB 4.050 . 4.050 2.424 2.127 2.614 . 0 0 "[ . 1]" 1
1698 1 184 ILE HA 1 184 ILE MD 4.040 . 4.040 2.816 1.998 3.921 . 0 0 "[ . 1]" 1
1699 1 184 ILE MD 1 184 ILE MG 3.350 . 3.350 2.596 2.028 3.338 . 0 0 "[ . 1]" 1
1700 1 184 ILE H 1 184 ILE MD 3.840 . 3.840 3.265 2.537 4.018 0.178 4 0 "[ . 1]" 1
1701 1 184 ILE H 1 184 ILE QG 3.930 . 3.930 2.852 2.041 4.156 0.226 4 0 "[ . 1]" 1
1702 1 184 ILE HA 1 184 ILE MG 3.510 . 3.510 2.683 2.431 3.280 . 0 0 "[ . 1]" 1
1703 1 184 ILE H 1 184 ILE MG 3.950 . 3.950 3.573 2.374 3.823 . 0 0 "[ . 1]" 1
1704 1 184 ILE MG 1 185 VAL HA 4.510 . 4.510 3.343 3.054 3.990 . 0 0 "[ . 1]" 1
1705 1 184 ILE HB 1 185 VAL HB 5.450 . 5.450 5.289 4.805 6.372 0.922 4 1 "[ +. 1]" 1
1706 1 184 ILE MG 1 185 VAL QG . . 4.070 3.156 2.501 3.790 . 0 0 "[ . 1]" 1
1707 1 184 ILE HB 1 185 VAL QG 4.910 . 4.910 3.573 2.989 4.885 . 0 0 "[ . 1]" 1
1708 1 184 ILE H 1 185 VAL QG 4.370 . 4.370 4.108 3.979 4.262 . 0 0 "[ . 1]" 1
1709 1 184 ILE HB 1 185 VAL H 3.780 . 3.780 2.834 2.370 3.973 0.193 4 0 "[ . 1]" 1
1710 1 184 ILE MD 1 185 VAL H 4.390 . 4.390 4.544 4.381 4.780 0.390 4 0 "[ . 1]" 1
1711 1 184 ILE MG 1 185 VAL H 4.360 . 4.360 3.048 2.358 3.671 . 0 0 "[ . 1]" 1
1712 1 184 ILE H 1 185 VAL H 3.800 . 3.800 2.729 2.552 2.869 . 0 0 "[ . 1]" 1
1713 1 184 ILE MG 1 186 LYS H 4.870 . 4.870 4.913 4.518 5.278 0.408 3 0 "[ . 1]" 1
1714 1 184 ILE HA 1 187 THR HB 4.420 . 4.420 2.845 2.374 3.584 . 0 0 "[ . 1]" 1
1715 1 184 ILE MG 1 187 THR HB 5.190 . 5.190 4.104 3.522 5.043 . 0 0 "[ . 1]" 1
1716 1 184 ILE HA 1 187 THR MG 4.360 . 4.360 4.218 3.797 5.003 0.643 1 1 "[+ . 1]" 1
1717 1 184 ILE MG 1 187 THR MG 5.000 . 5.000 4.939 4.147 5.848 0.848 4 2 "[- +. 1]" 1
1718 1 184 ILE HA 1 187 THR H 4.370 . 4.370 3.360 3.094 3.832 . 0 0 "[ . 1]" 1
1719 1 184 ILE MG 1 188 LEU QD . . 3.690 2.244 2.020 2.939 . 0 0 "[ . 1]" 1
1720 1 184 ILE MG 1 188 LEU H 5.030 . 5.030 4.051 3.812 4.759 . 0 0 "[ . 1]" 1
1721 1 185 VAL H 1 185 VAL HB 3.680 . 3.680 2.546 2.417 2.663 . 0 0 "[ . 1]" 1
1722 1 185 VAL HA 1 185 VAL QG . . 3.120 2.181 2.163 2.225 . 0 0 "[ . 1]" 1
1723 1 185 VAL H 1 185 VAL QG 3.060 . 3.060 2.101 1.920 2.339 . 0 0 "[ . 1]" 1
1724 1 185 VAL HA 1 186 LYS HA 5.320 . 5.320 4.824 4.702 4.872 . 0 0 "[ . 1]" 1
1725 1 185 VAL H 1 186 LYS QG 5.500 . 5.500 4.837 4.169 6.437 0.937 9 2 "[ .- +1]" 1
1726 1 185 VAL QG 1 186 LYS H 3.910 . 3.910 3.273 3.180 3.345 . 0 0 "[ . 1]" 1
1727 1 185 VAL H 1 186 LYS H 3.740 . 3.740 2.750 2.628 2.910 . 0 0 "[ . 1]" 1
1728 1 185 VAL HA 1 187 THR H 4.840 . 4.840 4.220 4.037 4.547 . 0 0 "[ . 1]" 1
1729 1 185 VAL HA 1 188 LEU HB2 4.750 . 4.750 2.402 2.135 2.845 . 0 0 "[ . 1]" 1
1730 1 185 VAL HA 1 188 LEU QD 3.540 . 3.540 2.630 2.081 3.278 . 0 0 "[ . 1]" 1
1731 1 185 VAL HA 1 188 LEU HG 5.120 . 5.120 3.253 2.450 4.351 . 0 0 "[ . 1]" 1
1732 1 185 VAL HA 1 188 LEU H 4.120 . 4.120 3.206 3.045 3.657 . 0 0 "[ . 1]" 1
1733 1 186 LYS H 1 186 LYS QB 2.880 . 2.880 2.371 2.182 2.566 . 0 0 "[ . 1]" 1
1734 1 186 LYS H 1 186 LYS QG 3.780 . 3.780 2.689 2.120 3.988 0.208 9 0 "[ . 1]" 1
1735 1 186 LYS QB 1 187 THR HA 5.170 . 5.170 4.153 3.909 4.704 . 0 0 "[ . 1]" 1
1736 1 186 LYS QB 1 187 THR H 3.530 . 3.530 2.845 2.564 3.669 0.139 7 0 "[ . 1]" 1
1737 1 186 LYS QG 1 187 THR H 4.790 . 4.790 3.761 2.300 4.296 . 0 0 "[ . 1]" 1
1738 1 186 LYS H 1 187 THR H 3.590 . 3.590 2.697 2.650 2.787 . 0 0 "[ . 1]" 1
1739 1 187 THR H 1 187 THR HB 3.510 . 3.510 2.613 2.461 2.811 . 0 0 "[ . 1]" 1
1740 1 187 THR HA 1 187 THR MG 3.140 . 3.140 2.338 2.202 2.537 . 0 0 "[ . 1]" 1
1741 1 187 THR H 1 187 THR MG 4.460 . 4.460 3.789 3.777 3.805 . 0 0 "[ . 1]" 1
1742 1 187 THR MG 1 188 LEU HA 4.730 . 4.730 3.987 3.790 4.440 . 0 0 "[ . 1]" 1
1743 1 187 THR HB 1 188 LEU QD 5.080 . 5.080 3.709 3.183 4.124 . 0 0 "[ . 1]" 1
1744 1 187 THR HB 1 188 LEU H 3.890 . 3.890 2.780 2.613 3.180 . 0 0 "[ . 1]" 1
1745 1 187 THR MG 1 188 LEU H 4.680 . 4.680 3.816 3.505 4.186 . 0 0 "[ . 1]" 1
1746 1 187 THR HA 1 190 GLU QB 4.000 . 4.000 3.555 3.027 4.029 0.029 2 0 "[ . 1]" 1
1747 1 187 THR MG 1 190 GLU QB 4.970 . 4.970 3.642 3.098 4.188 . 0 0 "[ . 1]" 1
1748 1 187 THR HA 1 190 GLU QG 3.720 . 3.720 3.576 2.660 5.112 1.392 3 2 "[ + . -1]" 1
1749 1 187 THR MG 1 190 GLU QG 4.950 . 4.950 4.052 3.337 5.098 0.148 3 0 "[ . 1]" 1
1750 1 187 THR HA 1 190 GLU H 4.290 . 4.290 3.798 3.361 4.072 . 0 0 "[ . 1]" 1
1751 1 187 THR MG 1 190 GLU H 5.010 . 5.010 4.460 4.184 4.735 . 0 0 "[ . 1]" 1
1752 1 188 LEU HA 1 188 LEU QD . . 3.210 2.071 1.971 2.174 . 0 0 "[ . 1]" 1
1753 1 188 LEU H 1 188 LEU QD 3.980 . 3.980 3.102 2.834 3.331 . 0 0 "[ . 1]" 1
1754 1 188 LEU HB2 1 189 GLY H 4.180 . 4.180 3.113 2.805 3.421 . 0 0 "[ . 1]" 1
1755 1 188 LEU QD 1 189 GLY H . . 4.660 4.293 4.195 4.463 . 0 0 "[ . 1]" 1
1756 1 188 LEU H 1 189 GLY H 3.590 . 3.590 2.594 2.522 2.650 . 0 0 "[ . 1]" 1
1757 1 188 LEU HA 1 190 GLU H 5.060 . 5.060 3.501 3.332 3.799 . 0 0 "[ . 1]" 1
1758 1 188 LEU H 1 190 GLU H 4.480 . 4.480 4.230 4.083 4.341 . 0 0 "[ . 1]" 1
1759 1 189 GLY H 1 190 GLU QB 4.710 . 4.710 4.484 4.206 4.789 0.079 2 0 "[ . 1]" 1
1760 1 189 GLY HA2 1 190 GLU H 3.390 . 3.390 3.433 3.349 3.556 0.166 1 0 "[ . 1]" 1
1761 1 189 GLY H 1 190 GLU H 3.380 . 3.380 2.646 2.458 2.779 . 0 0 "[ . 1]" 1
1762 1 190 GLU HA 1 190 GLU QB 2.800 . 2.800 2.500 2.392 2.616 . 0 0 "[ . 1]" 1
1763 1 190 GLU H 1 190 GLU QB 2.850 . 2.850 2.305 2.073 2.448 . 0 0 "[ . 1]" 1
1764 1 190 GLU HA 1 190 GLU QG 3.520 . 3.520 2.886 2.534 3.156 . 0 0 "[ . 1]" 1
1765 1 190 GLU H 1 190 GLU QG 3.460 . 3.460 3.085 2.362 4.102 0.642 3 1 "[ + . 1]" 1
1766 1 190 GLU QB 1 191 ARG QD 5.140 . 5.140 4.868 2.801 6.209 1.069 3 2 "[ + - 1]" 1
1767 1 190 GLU HA 1 191 ARG H 2.790 . 2.790 2.454 2.245 2.715 . 0 0 "[ . 1]" 1
1768 1 190 GLU QB 1 191 ARG H 3.250 . 3.250 2.427 1.777 3.426 0.176 3 0 "[ . 1]" 1
1769 1 190 GLU QG 1 191 ARG H 4.670 . 4.670 3.786 2.442 4.595 . 0 0 "[ . 1]" 1
1770 1 190 GLU QB 1 192 ILE MG 4.710 . 4.710 4.095 3.480 5.184 0.474 3 0 "[ . 1]" 1
1771 1 190 GLU QB 1 192 ILE H 4.080 . 4.080 2.486 2.150 3.630 . 0 0 "[ . 1]" 1
1772 1 191 ARG H 1 191 ARG HB2 3.350 . 3.350 3.649 3.578 3.728 0.378 7 0 "[ . 1]" 1
1773 1 191 ARG HB2 1 191 ARG QD 3.440 . 3.440 2.808 2.476 3.325 . 0 0 "[ . 1]" 1
1774 1 191 ARG QD 1 191 ARG QG 2.400 . 2.400 2.048 2.001 2.110 . 0 0 "[ . 1]" 1
1775 1 191 ARG H 1 191 ARG QD 4.200 . 4.200 3.408 2.019 4.135 . 0 0 "[ . 1]" 1
1776 1 191 ARG HB2 1 191 ARG QG 2.550 . 2.550 2.269 2.148 2.434 . 0 0 "[ . 1]" 1
1777 1 191 ARG H 1 191 ARG QG 3.330 . 3.330 2.218 1.923 2.849 . 0 0 "[ . 1]" 1
1778 1 191 ARG HA 1 192 ILE HA 4.550 . 4.550 4.528 4.423 4.596 0.046 8 0 "[ . 1]" 1
1779 1 191 ARG QG 1 192 ILE HA 4.150 . 4.150 4.389 4.303 4.562 0.412 1 0 "[ . 1]" 1
1780 1 191 ARG QG 1 192 ILE HB 3.430 . 3.430 3.212 2.848 3.585 0.155 1 0 "[ . 1]" 1
1781 1 191 ARG HA 1 192 ILE MD 5.500 . 5.500 5.802 4.711 6.560 1.060 6 4 "[ * .+ *-1]" 1
1782 1 191 ARG HB2 1 192 ILE MG 5.240 . 5.240 4.270 3.993 4.813 . 0 0 "[ . 1]" 1
1783 1 191 ARG QD 1 192 ILE MG 4.120 . 4.120 3.628 2.910 4.092 . 0 0 "[ . 1]" 1
1784 1 191 ARG H 1 192 ILE MG 4.880 . 4.880 4.085 3.518 4.575 . 0 0 "[ . 1]" 1
1785 1 191 ARG HB2 1 192 ILE H 3.940 . 3.940 4.139 3.928 4.361 0.421 7 0 "[ . 1]" 1
1786 1 191 ARG QD 1 192 ILE H 3.820 . 3.820 4.367 3.334 4.782 0.962 3 7 "[ *+*** * -]" 1
1787 1 191 ARG QG 1 192 ILE H 3.300 . 3.300 2.616 2.241 3.084 . 0 0 "[ . 1]" 1
1788 1 191 ARG H 1 192 ILE H 3.380 . 3.380 2.472 2.234 2.852 . 0 0 "[ . 1]" 1
1789 1 192 ILE HA 1 192 ILE HB 2.650 . 2.650 2.509 2.404 2.720 0.070 2 0 "[ . 1]" 1
1790 1 192 ILE H 1 192 ILE HB 2.920 . 2.920 3.406 3.235 3.510 0.590 3 5 "[* + .** -]" 1
1791 1 192 ILE HA 1 192 ILE MD 3.720 . 3.720 2.757 2.032 3.790 0.070 6 0 "[ . 1]" 1
1792 1 192 ILE HB 1 192 ILE MD 3.070 . 3.070 2.375 2.321 2.433 . 0 0 "[ . 1]" 1
1793 1 192 ILE HA 1 192 ILE HG12 3.350 . 3.350 3.506 3.016 3.818 0.468 1 0 "[ . 1]" 1
1794 1 192 ILE HG12 1 192 ILE MG 2.810 . 2.810 2.361 2.265 2.449 . 0 0 "[ . 1]" 1
1795 1 192 ILE H 1 192 ILE MG 3.320 . 3.320 2.657 2.464 3.001 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 130
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 195.838
_Distance_constraint_stats_list.Viol_max 1.421
_Distance_constraint_stats_list.Viol_rms 0.0837
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.1009
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LEU 2.002 1.421 3 1 "[ + . 1]"
1 5 ASP 0.461 0.140 1 0 "[ . 1]"
1 6 ILE 0.000 0.000 . 0 "[ . 1]"
1 7 VAL 0.030 0.030 8 0 "[ . 1]"
1 8 ILE 0.000 0.000 . 0 "[ . 1]"
1 9 VAL 0.117 0.047 6 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 TRP 0.000 0.000 . 0 "[ . 1]"
1 20 ASP 0.182 0.051 8 0 "[ . 1]"
1 21 SER 0.177 0.048 7 0 "[ . 1]"
1 22 VAL 0.000 0.000 . 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 24 ALA 0.217 0.051 8 0 "[ . 1]"
1 25 PHE 0.194 0.048 7 0 "[ . 1]"
1 26 LEU 0.000 0.000 . 0 "[ . 1]"
1 27 ASN 0.000 0.000 . 0 "[ . 1]"
1 28 ASP 0.035 0.035 9 0 "[ . 1]"
1 29 LEU 0.219 0.056 4 0 "[ . 1]"
1 33 MET 0.203 0.056 4 0 "[ . 1]"
1 41 GLN 2.002 1.421 3 1 "[ + . 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 45 VAL 0.000 0.000 . 0 "[ . 1]"
1 46 GLN 0.000 0.000 . 0 "[ . 1]"
1 48 GLY 0.680 0.534 3 1 "[ + . 1]"
1 50 ASN 0.680 0.534 3 1 "[ + . 1]"
1 52 THR 0.000 0.000 . 0 "[ . 1]"
1 62 SER 1.168 0.230 3 0 "[ . 1]"
1 63 THR 0.000 0.000 . 0 "[ . 1]"
1 64 GLU 0.000 0.000 . 0 "[ . 1]"
1 65 GLU 0.062 0.034 6 0 "[ . 1]"
1 66 VAL 1.237 0.230 3 0 "[ . 1]"
1 67 LEU 2.414 1.106 3 1 "[ + . 1]"
1 68 VAL 0.269 0.179 3 0 "[ . 1]"
1 69 ALA 0.417 0.097 2 0 "[ . 1]"
1 70 ALA 0.069 0.041 2 0 "[ . 1]"
1 71 LYS 2.414 1.106 3 1 "[ + . 1]"
1 72 LYS 0.269 0.179 3 0 "[ . 1]"
1 73 ILE 0.355 0.097 2 0 "[ . 1]"
1 83 THR 0.117 0.057 9 0 "[ . 1]"
1 84 ALA 0.000 0.000 . 0 "[ . 1]"
1 86 GLY 0.024 0.024 1 0 "[ . 1]"
1 87 ILE 0.117 0.057 9 0 "[ . 1]"
1 88 ASP 0.000 0.000 . 0 "[ . 1]"
1 89 THR 0.024 0.024 1 0 "[ . 1]"
1 90 ALA 0.527 0.291 3 0 "[ . 1]"
1 91 ARG 0.000 0.000 . 0 "[ . 1]"
1 93 GLU 0.024 0.024 1 0 "[ . 1]"
1 94 ALA 0.503 0.291 3 0 "[ . 1]"
1 106 LYS 0.461 0.140 1 0 "[ . 1]"
1 108 VAL 0.030 0.030 8 0 "[ . 1]"
1 109 MET 0.034 0.034 4 0 "[ . 1]"
1 110 VAL 0.000 0.000 . 0 "[ . 1]"
1 111 ILE 0.000 0.000 . 0 "[ . 1]"
1 112 VAL 0.117 0.047 6 0 "[ . 1]"
1 113 THR 0.989 0.465 3 0 "[ . 1]"
1 120 ASN 0.068 0.024 3 0 "[ . 1]"
1 122 ARG 0.007 0.007 6 0 "[ . 1]"
1 123 LEU 0.000 0.000 . 0 "[ . 1]"
1 124 LYS 0.137 0.046 10 0 "[ . 1]"
1 125 LYS 0.343 0.128 7 0 "[ . 1]"
1 126 VAL 0.007 0.007 6 0 "[ . 1]"
1 127 ILE 0.000 0.000 . 0 "[ . 1]"
1 128 GLN 0.145 0.046 10 0 "[ . 1]"
1 129 ASP 0.413 0.128 7 0 "[ . 1]"
1 130 CYS 0.000 0.000 . 0 "[ . 1]"
1 131 GLU 0.000 0.000 . 0 "[ . 1]"
1 132 ASP 0.076 0.030 9 0 "[ . 1]"
1 133 GLU 0.070 0.036 7 0 "[ . 1]"
1 136 GLN 0.000 0.000 . 0 "[ . 1]"
1 138 PHE 0.034 0.034 4 0 "[ . 1]"
1 139 SER 1.492 0.511 3 1 "[ + . 1]"
1 140 ILE 0.000 0.000 . 0 "[ . 1]"
1 141 ALA 0.006 0.006 9 0 "[ . 1]"
1 142 ILE 0.989 0.465 3 0 "[ . 1]"
1 153 THR 0.462 0.275 3 0 "[ . 1]"
1 154 GLU 0.034 0.034 9 0 "[ . 1]"
1 157 VAL 0.462 0.275 3 0 "[ . 1]"
1 158 GLU 1.993 0.859 3 1 "[ + . 1]"
1 161 LYS 0.000 0.000 . 0 "[ . 1]"
1 162 SER 1.960 0.859 3 1 "[ + . 1]"
1 171 HIS 0.285 0.141 3 0 "[ . 1]"
1 173 PHE 1.207 0.511 3 1 "[ + . 1]"
1 175 VAL 0.006 0.006 9 0 "[ . 1]"
1 179 LEU 2.497 0.979 3 1 "[ + . 1]"
1 180 ALA 0.807 0.500 3 0 "[ . 1]"
1 181 LEU 0.521 0.180 3 0 "[ . 1]"
1 182 VAL 0.000 0.000 . 0 "[ . 1]"
1 183 THR 2.907 0.979 3 1 "[ + . 1]"
1 184 ILE 0.807 0.500 3 0 "[ . 1]"
1 185 VAL 1.353 0.513 3 1 "[ + . 1]"
1 186 LYS 0.000 0.000 . 0 "[ . 1]"
1 187 THR 0.410 0.096 7 0 "[ . 1]"
1 188 LEU 0.000 0.000 . 0 "[ . 1]"
1 189 GLY 0.832 0.513 3 1 "[ + . 1]"
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 5 ASP H 1 106 LYS O 1.500 . 2.200 2.165 1.935 2.340 0.140 1 0 "[ . 1]" 2
2 1 5 ASP N 1 106 LYS O 2.500 2.300 3.200 2.999 2.849 3.110 . 0 0 "[ . 1]" 2
3 1 6 ILE H 1 41 GLN O 1.500 . 2.200 1.857 1.744 2.106 . 0 0 "[ . 1]" 2
4 1 6 ILE N 1 41 GLN O 2.500 2.300 3.200 2.823 2.734 3.044 . 0 0 "[ . 1]" 2
5 1 7 VAL H 1 108 VAL O 1.500 . 2.200 2.011 1.825 2.230 0.030 8 0 "[ . 1]" 2
6 1 7 VAL N 1 108 VAL O 2.500 2.300 3.200 2.966 2.812 3.156 . 0 0 "[ . 1]" 2
7 1 9 VAL H 1 110 VAL O 1.500 . 2.200 1.773 1.694 1.877 . 0 0 "[ . 1]" 2
8 1 9 VAL N 1 110 VAL O 2.500 2.300 3.200 2.783 2.713 2.864 . 0 0 "[ . 1]" 2
9 1 10 LEU H 1 45 VAL O 1.500 . 2.200 1.859 1.756 2.023 . 0 0 "[ . 1]" 2
10 1 10 LEU N 1 45 VAL O 2.500 2.300 3.200 2.858 2.771 3.013 . 0 0 "[ . 1]" 2
11 1 19 TRP O 1 23 THR H 1.500 . 2.200 1.926 1.827 2.115 . 0 0 "[ . 1]" 2
12 1 19 TRP O 1 23 THR N 2.500 2.300 3.200 2.917 2.820 3.077 . 0 0 "[ . 1]" 2
13 1 20 ASP O 1 24 ALA H 1.500 . 2.200 2.173 2.014 2.251 0.051 8 0 "[ . 1]" 2
14 1 20 ASP O 1 24 ALA N 2.500 2.300 3.200 3.099 2.954 3.214 0.014 8 0 "[ . 1]" 2
15 1 21 SER O 1 25 PHE H 1.500 . 2.200 2.166 1.959 2.248 0.048 7 0 "[ . 1]" 2
16 1 21 SER O 1 25 PHE N 2.500 2.300 3.200 3.117 2.936 3.218 0.018 7 0 "[ . 1]" 2
17 1 22 VAL O 1 26 LEU H 1.500 . 2.200 1.910 1.791 2.009 . 0 0 "[ . 1]" 2
18 1 22 VAL O 1 26 LEU N 2.500 2.300 3.200 2.915 2.787 3.006 . 0 0 "[ . 1]" 2
19 1 23 THR O 1 27 ASN H 1.500 . 2.200 1.914 1.811 1.998 . 0 0 "[ . 1]" 2
20 1 23 THR O 1 27 ASN N 2.500 2.300 3.200 2.841 2.732 2.936 . 0 0 "[ . 1]" 2
21 1 24 ALA O 1 28 ASP H 1.500 . 2.200 2.019 1.867 2.235 0.035 9 0 "[ . 1]" 2
22 1 24 ALA O 1 28 ASP N 2.500 2.300 3.200 2.996 2.846 3.200 0.000 9 0 "[ . 1]" 2
23 1 25 PHE O 1 29 LEU H 1.500 . 2.200 2.073 1.982 2.217 0.017 2 0 "[ . 1]" 2
24 1 25 PHE O 1 29 LEU N 2.500 2.300 3.200 2.953 2.894 3.049 . 0 0 "[ . 1]" 2
25 1 29 LEU O 1 33 MET H 1.500 . 2.200 2.184 1.903 2.256 0.056 4 0 "[ . 1]" 2
26 1 29 LEU O 1 33 MET N 2.500 2.300 3.200 2.995 2.860 3.038 . 0 0 "[ . 1]" 2
27 1 4 LEU O 1 41 GLN H 1.500 . 2.200 2.268 1.967 3.621 1.421 3 1 "[ + . 1]" 2
28 1 4 LEU O 1 41 GLN N 2.500 2.300 3.200 3.120 2.939 3.723 0.523 3 1 "[ + . 1]" 2
29 1 6 ILE O 1 43 GLY H 1.500 . 2.200 2.051 1.833 2.191 . 0 0 "[ . 1]" 2
30 1 6 ILE O 1 43 GLY N 2.500 2.300 3.200 2.985 2.831 3.115 . 0 0 "[ . 1]" 2
31 1 8 ILE O 1 45 VAL H 1.500 . 2.200 1.866 1.798 1.934 . 0 0 "[ . 1]" 2
32 1 8 ILE O 1 45 VAL N 2.500 2.300 3.200 2.863 2.804 2.934 . 0 0 "[ . 1]" 2
33 1 48 GLY H 1 50 ASN O 1.500 . 2.200 2.245 1.980 2.734 0.534 3 1 "[ + . 1]" 2
34 1 48 GLY N 1 50 ASN O 2.500 2.300 3.200 2.957 2.890 3.089 . 0 0 "[ . 1]" 2
35 1 46 GLN O 1 52 THR H 1.500 . 2.200 1.950 1.772 2.154 . 0 0 "[ . 1]" 2
36 1 46 GLN O 1 52 THR N 2.500 2.300 3.200 2.912 2.779 3.045 . 0 0 "[ . 1]" 2
37 1 62 SER O 1 66 VAL H 1.500 . 2.200 2.223 2.014 2.430 0.230 3 0 "[ . 1]" 2
38 1 62 SER O 1 66 VAL N 2.500 2.300 3.200 3.211 3.010 3.413 0.213 3 0 "[ . 1]" 2
39 1 63 THR O 1 67 LEU H 1.500 . 2.200 1.867 1.710 2.100 . 0 0 "[ . 1]" 2
40 1 63 THR O 1 67 LEU N 2.500 2.300 3.200 2.844 2.721 3.050 . 0 0 "[ . 1]" 2
41 1 64 GLU O 1 68 VAL H 1.500 . 2.200 1.841 1.728 1.976 . 0 0 "[ . 1]" 2
42 1 64 GLU O 1 68 VAL N 2.500 2.300 3.200 2.837 2.729 2.955 . 0 0 "[ . 1]" 2
43 1 65 GLU O 1 69 ALA H 1.500 . 2.200 2.067 1.895 2.234 0.034 6 0 "[ . 1]" 2
44 1 65 GLU O 1 69 ALA N 2.500 2.300 3.200 2.965 2.752 3.153 . 0 0 "[ . 1]" 2
45 1 66 VAL O 1 70 ALA H 1.500 . 2.200 1.998 1.848 2.241 0.041 2 0 "[ . 1]" 2
46 1 66 VAL O 1 70 ALA N 2.500 2.300 3.200 2.944 2.808 3.188 . 0 0 "[ . 1]" 2
47 1 67 LEU O 1 71 LYS H 1.500 . 2.200 2.339 1.983 3.306 1.106 3 1 "[ + . 1]" 2
48 1 67 LEU O 1 71 LYS N 2.500 2.300 3.200 3.249 2.950 3.830 0.630 3 1 "[ + . 1]" 2
49 1 68 VAL O 1 72 LYS H 1.500 . 2.200 2.223 2.170 2.379 0.179 3 0 "[ . 1]" 2
50 1 68 VAL O 1 72 LYS N 2.500 2.300 3.200 2.864 2.732 3.026 . 0 0 "[ . 1]" 2
51 1 69 ALA O 1 73 ILE H 1.500 . 2.200 2.142 1.834 2.297 0.097 2 0 "[ . 1]" 2
52 1 69 ALA O 1 73 ILE N 2.500 2.300 3.200 3.074 2.822 3.225 0.025 2 0 "[ . 1]" 2
53 1 83 THR O 1 87 ILE H 1.500 . 2.200 2.045 1.803 2.257 0.057 9 0 "[ . 1]" 2
54 1 83 THR O 1 87 ILE N 2.500 2.300 3.200 3.029 2.763 3.225 0.025 9 0 "[ . 1]" 2
55 1 84 ALA O 1 88 ASP H 1.500 . 2.200 1.941 1.815 2.195 . 0 0 "[ . 1]" 2
56 1 84 ALA O 1 88 ASP N 2.500 2.300 3.200 2.937 2.809 3.156 . 0 0 "[ . 1]" 2
57 1 86 GLY O 1 90 ALA H 1.500 . 2.200 2.020 1.866 2.224 0.024 1 0 "[ . 1]" 2
58 1 86 GLY O 1 90 ALA N 2.500 2.300 3.200 2.927 2.761 3.053 . 0 0 "[ . 1]" 2
59 1 87 ILE O 1 91 ARG H 1.500 . 2.200 2.062 1.836 2.186 . 0 0 "[ . 1]" 2
60 1 87 ILE O 1 91 ARG N 2.500 2.300 3.200 3.056 2.847 3.194 . 0 0 "[ . 1]" 2
61 1 89 THR O 1 93 GLU H 1.500 . 2.200 2.092 1.720 2.224 0.024 1 0 "[ . 1]" 2
62 1 89 THR O 1 93 GLU N 2.500 2.300 3.200 2.801 2.670 2.888 . 0 0 "[ . 1]" 2
63 1 90 ALA O 1 94 ALA H 1.500 . 2.200 2.235 2.069 2.491 0.291 3 0 "[ . 1]" 2
64 1 90 ALA O 1 94 ALA N 2.500 2.300 3.200 2.955 2.842 3.070 . 0 0 "[ . 1]" 2
65 1 5 ASP O 1 108 VAL H 1.500 . 2.200 1.878 1.761 2.057 . 0 0 "[ . 1]" 2
66 1 5 ASP O 1 108 VAL N 2.500 2.300 3.200 2.882 2.767 3.029 . 0 0 "[ . 1]" 2
67 1 109 MET H 1 136 GLN O 1.500 . 2.200 1.768 1.716 1.875 . 0 0 "[ . 1]" 2
68 1 109 MET N 1 136 GLN O 2.500 2.300 3.200 2.775 2.726 2.884 . 0 0 "[ . 1]" 2
69 1 7 VAL O 1 110 VAL H 1.500 . 2.200 1.811 1.739 1.884 . 0 0 "[ . 1]" 2
70 1 7 VAL O 1 110 VAL N 2.500 2.300 3.200 2.828 2.758 2.898 . 0 0 "[ . 1]" 2
71 1 111 ILE H 1 138 PHE O 1.500 . 2.200 1.969 1.788 2.181 . 0 0 "[ . 1]" 2
72 1 111 ILE N 1 138 PHE O 2.500 2.300 3.200 2.977 2.803 3.188 . 0 0 "[ . 1]" 2
73 1 9 VAL O 1 112 VAL H 1.500 . 2.200 2.167 2.090 2.247 0.047 6 0 "[ . 1]" 2
74 1 9 VAL O 1 112 VAL N 2.500 2.300 3.200 3.115 2.930 3.202 0.002 6 0 "[ . 1]" 2
75 1 113 THR H 1 140 ILE O 1.500 . 2.200 1.917 1.645 2.109 . 0 0 "[ . 1]" 2
76 1 113 THR N 1 140 ILE O 2.500 2.300 3.200 2.868 2.635 3.000 . 0 0 "[ . 1]" 2
77 1 120 ASN O 1 124 LYS H 1.500 . 2.200 2.131 1.856 2.224 0.024 3 0 "[ . 1]" 2
78 1 120 ASN O 1 124 LYS N 2.500 2.300 3.200 3.103 2.858 3.218 0.018 3 0 "[ . 1]" 2
79 1 122 ARG O 1 126 VAL H 1.500 . 2.200 1.975 1.739 2.207 0.007 6 0 "[ . 1]" 2
80 1 122 ARG O 1 126 VAL N 2.500 2.300 3.200 2.969 2.756 3.197 . 0 0 "[ . 1]" 2
81 1 123 LEU O 1 127 ILE H 1.500 . 2.200 1.968 1.800 2.134 . 0 0 "[ . 1]" 2
82 1 123 LEU O 1 127 ILE N 2.500 2.300 3.200 2.941 2.758 3.120 . 0 0 "[ . 1]" 2
83 1 124 LYS O 1 128 GLN H 1.500 . 2.200 2.096 1.901 2.246 0.046 10 0 "[ . 1]" 2
84 1 124 LYS O 1 128 GLN N 2.500 2.300 3.200 3.058 2.901 3.153 . 0 0 "[ . 1]" 2
85 1 125 LYS O 1 129 ASP H 1.500 . 2.200 2.151 1.985 2.328 0.128 7 0 "[ . 1]" 2
86 1 125 LYS O 1 129 ASP N 2.500 2.300 3.200 3.094 2.901 3.240 0.040 7 0 "[ . 1]" 2
87 1 126 VAL O 1 130 CYS H 1.500 . 2.200 1.904 1.768 2.020 . 0 0 "[ . 1]" 2
88 1 126 VAL O 1 130 CYS N 2.500 2.300 3.200 2.900 2.769 3.026 . 0 0 "[ . 1]" 2
89 1 127 ILE O 1 131 GLU H 1.500 . 2.200 2.020 1.946 2.149 . 0 0 "[ . 1]" 2
90 1 127 ILE O 1 131 GLU N 2.500 2.300 3.200 2.877 2.777 2.945 . 0 0 "[ . 1]" 2
91 1 128 GLN O 1 132 ASP H 1.500 . 2.200 2.158 2.043 2.230 0.030 9 0 "[ . 1]" 2
92 1 128 GLN O 1 132 ASP N 2.500 2.300 3.200 3.098 2.983 3.208 0.008 9 0 "[ . 1]" 2
93 1 129 ASP O 1 133 GLU H 1.500 . 2.200 2.111 1.877 2.236 0.036 7 0 "[ . 1]" 2
94 1 129 ASP O 1 133 GLU N 2.500 2.300 3.200 3.033 2.871 3.167 . 0 0 "[ . 1]" 2
95 1 109 MET O 1 138 PHE H 1.500 . 2.200 1.898 1.722 2.234 0.034 4 0 "[ . 1]" 2
96 1 109 MET O 1 138 PHE N 2.500 2.300 3.200 2.872 2.710 3.163 . 0 0 "[ . 1]" 2
97 1 139 SER H 1 171 HIS O 1.500 . 2.200 1.944 1.743 2.341 0.141 3 0 "[ . 1]" 2
98 1 139 SER N 1 171 HIS O 2.500 2.300 3.200 2.946 2.747 3.299 0.099 3 0 "[ . 1]" 2
99 1 111 ILE O 1 140 ILE H 1.500 . 2.200 1.934 1.787 2.114 . 0 0 "[ . 1]" 2
100 1 111 ILE O 1 140 ILE N 2.500 2.300 3.200 2.924 2.802 3.073 . 0 0 "[ . 1]" 2
101 1 141 ALA H 1 173 PHE O 1.500 . 2.200 1.850 1.712 1.993 . 0 0 "[ . 1]" 2
102 1 141 ALA N 1 173 PHE O 2.500 2.300 3.200 2.841 2.724 2.956 . 0 0 "[ . 1]" 2
103 1 113 THR O 1 142 ILE H 1.500 . 2.200 2.208 2.002 2.665 0.465 3 0 "[ . 1]" 2
104 1 113 THR O 1 142 ILE N 2.500 2.300 3.200 3.169 2.972 3.563 0.363 3 0 "[ . 1]" 2
105 1 153 THR O 1 157 VAL H 1.500 . 2.200 2.133 1.781 2.475 0.275 3 0 "[ . 1]" 2
106 1 153 THR O 1 157 VAL N 2.500 2.300 3.200 3.062 2.771 3.362 0.162 3 0 "[ . 1]" 2
107 1 154 GLU O 1 158 GLU H 1.500 . 2.200 2.089 1.824 2.234 0.034 9 0 "[ . 1]" 2
108 1 154 GLU O 1 158 GLU N 2.500 2.300 3.200 2.982 2.766 3.114 . 0 0 "[ . 1]" 2
109 1 157 VAL O 1 161 LYS H 1.500 . 2.200 1.914 1.785 2.188 . 0 0 "[ . 1]" 2
110 1 157 VAL O 1 161 LYS N 2.500 2.300 3.200 2.878 2.794 3.168 . 0 0 "[ . 1]" 2
111 1 158 GLU O 1 162 SER H 1.500 . 2.200 2.301 1.953 3.059 0.859 3 1 "[ + . 1]" 2
112 1 158 GLU O 1 162 SER N 2.500 2.300 3.200 3.111 2.747 3.900 0.700 3 1 "[ + . 1]" 2
113 1 139 SER O 1 173 PHE H 1.500 . 2.200 2.178 1.860 2.711 0.511 3 1 "[ + . 1]" 2
114 1 139 SER O 1 173 PHE N 2.500 2.300 3.200 3.137 2.850 3.641 0.441 3 0 "[ . 1]" 2
115 1 141 ALA O 1 175 VAL H 1.500 . 2.200 2.079 1.877 2.206 0.006 9 0 "[ . 1]" 2
116 1 141 ALA O 1 175 VAL N 2.500 2.300 3.200 3.051 2.883 3.180 . 0 0 "[ . 1]" 2
117 1 179 LEU O 1 183 THR H 1.500 . 2.200 2.230 1.863 3.179 0.979 3 1 "[ + . 1]" 2
118 1 179 LEU O 1 183 THR N 2.500 2.300 3.200 3.186 2.814 4.047 0.847 3 1 "[ + . 1]" 2
119 1 180 ALA O 1 184 ILE H 1.500 . 2.200 2.096 1.845 2.700 0.500 3 0 "[ . 1]" 2
120 1 180 ALA O 1 184 ILE N 2.500 2.300 3.200 3.005 2.767 3.508 0.308 3 0 "[ . 1]" 2
121 1 181 LEU O 1 185 VAL H 1.500 . 2.200 2.155 1.982 2.380 0.180 3 0 "[ . 1]" 2
122 1 181 LEU O 1 185 VAL N 2.500 2.300 3.200 3.119 2.984 3.359 0.159 3 0 "[ . 1]" 2
123 1 182 VAL O 1 186 LYS H 1.500 . 2.200 2.003 1.923 2.145 . 0 0 "[ . 1]" 2
124 1 182 VAL O 1 186 LYS N 2.500 2.300 3.200 2.974 2.904 3.090 . 0 0 "[ . 1]" 2
125 1 183 THR O 1 187 THR H 1.500 . 2.200 2.217 1.960 2.296 0.096 7 0 "[ . 1]" 2
126 1 183 THR O 1 187 THR N 2.500 2.300 3.200 3.077 2.877 3.184 . 0 0 "[ . 1]" 2
127 1 184 ILE O 1 188 LEU H 1.500 . 2.200 1.863 1.761 1.969 . 0 0 "[ . 1]" 2
128 1 184 ILE O 1 188 LEU N 2.500 2.300 3.200 2.791 2.733 2.896 . 0 0 "[ . 1]" 2
129 1 185 VAL O 1 189 GLY H 1.500 . 2.200 2.277 2.149 2.713 0.513 3 1 "[ + . 1]" 2
130 1 185 VAL O 1 189 GLY N 2.500 2.300 3.200 3.000 2.850 3.146 . 0 0 "[ . 1]" 2
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