NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619403 |
5ue5   |
25485 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ue5
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 2118
_Distance_constraint_stats_list.Viol_count 6154
_Distance_constraint_stats_list.Viol_total 26449.098
_Distance_constraint_stats_list.Viol_max 1.289
_Distance_constraint_stats_list.Viol_rms 0.1385
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0488
_Distance_constraint_stats_list.Viol_average_violations_only 0.2686
_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 GLN 4.750 0.674 12 5 "[ **- *1 + . ]"
1 3 GLU 4.750 0.674 12 5 "[ **- *1 + . ]"
1 4 ALA 3.275 0.552 9 1 "[ . +1 . ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 10 LEU 2.941 0.262 12 0 "[ . 1 . ]"
1 11 GLN 3.622 0.637 14 3 "[ - * +. ]"
1 12 TRP 3.568 0.959 14 3 "[ . *- +. ]"
1 13 GLU 4.049 0.326 4 0 "[ . 1 . ]"
1 14 GLN 1.569 0.228 14 0 "[ . 1 . ]"
1 15 ALA 1.189 0.260 8 0 "[ . 1 . ]"
1 16 GLN 17.507 0.869 10 8 "[* .***-+* * ]"
1 17 ASP 2.085 0.316 15 0 "[ . 1 . ]"
1 18 TYR 26.569 0.828 5 6 "[* + -1* **. ]"
1 19 LEU 7.700 0.409 7 0 "[ . 1 . ]"
1 20 LYS 25.299 0.828 5 4 "[ * + 1- * . ]"
1 21 ARG 21.070 0.543 14 1 "[ . 1 +. ]"
1 22 PHE 11.130 0.777 14 5 "[ * . *1 * +- ]"
1 23 TYR 19.275 1.056 15 8 "[ * *. * 1**- +*]"
1 24 LEU 23.523 0.777 14 7 "[ * . ****+- ]"
1 25 TYR 8.317 0.380 3 0 "[ . 1 . ]"
1 26 ASP 3.833 0.380 3 0 "[ . 1 . ]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 29 THR 2.563 0.833 16 3 "[ *.- 1 .+]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ASN 0.239 0.177 3 0 "[ . 1 . ]"
1 32 ALA 0.239 0.177 3 0 "[ . 1 . ]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 34 SER 0.486 0.255 15 0 "[ . 1 . ]"
1 35 LEU 8.592 0.869 10 7 "[* . - *+* ** ]"
1 36 GLU 11.240 0.742 5 15 "[*** +***-*******]"
1 37 ALA 13.673 0.742 5 15 "[*** +***-*******]"
1 38 LYS 5.998 0.833 16 4 "[ *.- * 1 .+]"
1 39 LEU 10.641 0.959 14 5 "[* . *- +* ]"
1 40 LYS 19.437 0.685 8 2 "[ . +*1 . ]"
1 41 GLU 11.129 0.659 14 2 "[ - 1 +. ]"
1 42 MET 37.008 0.994 13 12 "[ * ***-*1**+***]"
1 43 GLN 15.485 0.923 11 6 "[* . -1+ *** ]"
1 44 LYS 13.686 0.954 7 3 "[ * . + 1 .-]"
1 45 PHE 14.175 0.655 13 3 "[ . * +-. ]"
1 46 PHE 23.642 0.813 10 13 "[* *-** **+***** ]"
1 47 GLY 14.406 0.640 10 2 "[ -. + . ]"
1 48 LEU 37.962 0.923 11 14 "[* **** *-*+*****]"
1 49 PRO 3.666 0.662 10 1 "[ . + . ]"
1 50 ILE 16.725 0.965 14 3 "[ . *- +. ]"
1 51 THR 1.516 0.417 9 0 "[ . 1 . ]"
1 52 GLY 8.439 0.642 9 1 "[ . +1 . ]"
1 53 MET 5.931 0.506 11 1 "[ . 1+ . ]"
1 54 LEU 8.465 0.679 15 3 "[ - . * + ]"
1 55 ASN 2.623 0.279 13 0 "[ . 1 . ]"
1 56 SER 8.825 0.679 15 3 "[ - . * + ]"
1 57 ARG 16.052 0.965 14 6 "[* * . *- +* ]"
1 58 VAL 22.086 0.578 9 4 "[ . +* * *. ]"
1 59 ILE 17.646 0.816 9 6 "[- * . +* * * ]"
1 60 GLU 16.484 0.804 2 11 "[*+* * * *-* ***]"
1 61 ILE 32.584 0.954 13 14 "[ **-** *****+***]"
1 62 MET 26.956 0.994 13 14 "[*** *** -***+***]"
1 63 GLN 11.701 0.902 13 9 "[ ** ** -**+*. ]"
1 64 LYS 7.403 0.702 7 2 "[ . + - . ]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 66 ARG 7.990 0.677 3 4 "[- + . *1* . ]"
1 67 CYS 5.532 0.482 13 0 "[ . 1 . ]"
1 68 GLY 13.590 0.745 16 4 "[- .* *1 .+]"
1 69 VAL 23.499 0.831 16 13 "[*** ***-*1* ***+]"
1 70 PRO 7.597 0.631 14 2 "[ . 1 +- ]"
1 71 ASP 3.046 0.568 5 1 "[ + 1 . ]"
1 72 VAL 25.679 1.056 15 10 "[ * ** * ** -*+*]"
1 73 ALA 6.514 0.393 5 0 "[ . 1 . ]"
1 74 GLU 6.590 0.254 11 0 "[ . 1 . ]"
1 75 TYR 1.039 0.122 5 0 "[ . 1 . ]"
1 76 SER 1.485 0.577 11 1 "[ . 1+ . ]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 78 PHE 3.501 0.577 11 2 "[ . -1+ . ]"
1 79 PRO 16.560 0.775 15 6 "[** * - * + ]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 82 PRO 1.977 0.478 14 0 "[ . 1 . ]"
1 83 LYS 30.547 1.052 15 16 [**************+-]
1 84 TRP 19.079 0.933 8 10 "[ * *.**+ **** - ]"
1 85 THR 0.554 0.162 13 0 "[ . 1 . ]"
1 86 SER 7.120 0.872 14 4 "[ * . * 1 - +. ]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 88 VAL 34.879 0.872 14 12 "[- **** **1***+* ]"
1 89 VAL 24.842 0.723 10 10 "[ ***. * + -****]"
1 90 THR 11.482 0.766 10 7 "[* *. *-+* * ]"
1 91 TYR 26.700 0.767 8 5 "[ * . -+ 1 **. ]"
1 92 ARG 37.426 1.024 10 12 "[ **** * +*-****]"
1 93 ILE 20.803 0.602 12 4 "[ **. -1 + . ]"
1 94 VAL 13.617 0.919 10 16 [-********+******]
1 95 SER 0.093 0.053 16 0 "[ . 1 . ]"
1 96 TYR 11.254 0.860 15 6 "[* .** 1* -+ ]"
1 97 THR 4.645 0.481 16 0 "[ . 1 . ]"
1 98 ARG 5.765 0.629 15 2 "[ . 1 - + ]"
1 99 ASP 8.242 0.629 15 2 "[ . 1 - + ]"
1 100 LEU 9.525 0.445 12 0 "[ . 1 . ]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 102 HIS 22.210 0.860 15 10 "[* **.** -1** *+ ]"
1 103 ILE 30.288 0.991 10 16 [*********+****-*]
1 104 THR 32.395 0.991 10 16 [*********+***-**]
1 105 VAL 45.790 0.979 10 16 [*********+****-*]
1 106 ASP 15.875 0.585 9 2 "[ - . +1 . ]"
1 107 ARG 19.292 0.585 9 3 "[- * . +1 . ]"
1 108 LEU 41.665 1.167 13 16 [******-*****+***]
1 109 VAL 27.005 0.630 4 6 "[ +. - ** ** ]"
1 110 SER 13.076 0.471 14 0 "[ . 1 . ]"
1 111 LYS 38.980 1.167 13 15 "[-** ********+***]"
1 112 ALA 6.216 0.424 15 0 "[ . 1 . ]"
1 113 LEU 30.771 0.743 15 10 "[** *. *****- + ]"
1 114 ASN 25.403 0.872 9 10 "[-* *. **+*** * ]"
1 115 MET 19.565 0.963 15 9 "[***-* *** + ]"
1 116 TRP 28.520 0.661 4 4 "[ +. -* * ]"
1 117 GLY 12.400 0.659 4 4 "[ +* * - . ]"
1 118 LYS 21.230 0.880 7 11 "[** **+**-** * ]"
1 119 GLU 15.943 0.860 11 14 [****.*-***+***.*]
1 120 ILE 23.488 0.773 10 9 "[ **** *- + *.*]"
1 121 PRO 0.368 0.101 11 0 "[ . 1 . ]"
1 122 LEU 33.655 0.571 2 8 "[*+ ** ** -.*]"
1 123 HIS 36.816 0.863 14 14 "[-***** **** *+**]"
1 124 PHE 18.213 0.723 10 4 "[ -*. + * ]"
1 125 ARG 36.896 0.716 1 15 "[+** *-**********]"
1 126 LYS 24.955 0.986 10 9 "[ ** **-**+ .*]"
1 127 VAL 50.287 1.077 16 15 "[****-****** ***+]"
1 128 VAL 30.855 0.743 14 7 "[* * - 1** +* ]"
1 129 TRP 42.205 1.077 16 15 "[* **-**********+]"
1 130 GLY 4.974 0.282 4 0 "[ . 1 . ]"
1 131 THR 1.065 0.274 8 0 "[ . 1 . ]"
1 132 ALA 6.278 1.024 10 6 "[ - * * + * .*]"
1 133 ASP 2.161 0.766 10 2 "[ . - + . ]"
1 134 ILE 12.917 0.743 15 4 "[ * . * 1 - + ]"
1 135 MET 16.599 0.919 10 16 [-********+******]
1 136 ILE 33.773 0.607 8 2 "[ - . + 1 . ]"
1 137 GLY 5.235 0.320 14 0 "[ . 1 . ]"
1 138 PHE 12.247 0.544 6 4 "[ .+ * 1 -*]"
1 139 ALA 21.042 1.289 10 11 "[** ** **+** -*]"
1 140 ARG 7.349 0.825 8 3 "[ - . + 1 * ]"
1 141 GLY 16.509 0.905 2 11 "[*+ *.** *** - **]"
1 142 ALA 1.457 0.475 3 0 "[ . 1 . ]"
1 143 HIS 9.803 0.808 8 6 "[ * .- + * * * ]"
1 145 ASP 4.653 0.808 8 2 "[ . + - . ]"
1 146 SER 0.012 0.012 14 0 "[ . 1 . ]"
1 147 TYR 7.510 0.369 4 0 "[ . 1 . ]"
1 148 PRO 2.559 0.293 3 0 "[ . 1 . ]"
1 149 PHE 12.765 0.905 2 9 "[*+ *.* **** * ]"
1 150 ASP 20.130 0.918 16 13 "[****.** *** -**+]"
1 151 GLY 9.167 0.918 16 7 "[* - . * ** *.+]"
1 152 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 153 GLY 5.238 0.354 15 0 "[ . 1 . ]"
1 154 ASN 8.469 0.607 15 1 "[ . 1 + ]"
1 155 THR 27.834 0.730 12 9 "[- **. * **+* * ]"
1 156 LEU 45.743 1.122 10 16 [*-*******+******]
1 157 ALA 14.624 0.658 10 5 "[ *. - + * * ]"
1 158 HIS 10.143 0.629 16 4 "[- . ** .+]"
1 159 ALA 16.507 0.831 16 13 "[*** *-***1* ***+]"
1 160 PHE 24.312 0.765 4 12 "[***+** * ***- * ]"
1 161 ALA 5.592 0.479 4 0 "[ . 1 . ]"
1 162 PRO 0.109 0.050 2 0 "[ . 1 . ]"
1 163 GLY 11.418 0.775 15 6 "[** * - * + ]"
1 165 GLY 7.248 0.596 15 1 "[ . 1 + ]"
1 166 LEU 0.132 0.091 10 0 "[ . 1 . ]"
1 167 GLY 7.394 0.596 15 1 "[ . 1 + ]"
1 168 GLY 5.593 0.794 11 4 "[ *. *+ - ]"
1 169 ASP 7.364 0.765 4 8 "[** +* * 1 *- * ]"
1 170 ALA 4.312 0.347 9 0 "[ . 1 . ]"
1 171 HIS 2.712 0.347 9 0 "[ . 1 . ]"
1 172 PHE 18.685 0.697 2 13 "[*+ -****** ****]"
1 173 ASP 35.863 0.697 2 14 "[*+ ****-*******]"
1 174 GLU 22.583 1.289 10 10 "[** *- **+** .*]"
1 175 ASP 12.578 0.690 10 10 "[** ** *-+** * ]"
1 176 GLU 6.582 0.351 13 0 "[ . 1 . ]"
1 177 ARG 17.882 1.071 9 10 "[ * ** *+** * -*]"
1 178 TRP 44.694 0.840 11 10 "[*-* * * 1+ ****]"
1 179 THR 5.946 0.412 4 0 "[ . 1 . ]"
1 180 ASP 12.889 0.809 14 14 "[***** ***1***+**]"
1 181 GLY 0.031 0.031 8 0 "[ . 1 . ]"
1 182 SER 9.716 0.809 14 14 "[***** ***1***+*-]"
1 183 SER 0.193 0.067 8 0 "[ . 1 . ]"
1 184 LEU 2.904 0.198 3 0 "[ . 1 . ]"
1 185 GLY 4.889 0.372 13 0 "[ . 1 . ]"
1 186 ILE 55.636 1.122 10 16 [*-*******+******]
1 187 ASN 1.119 0.130 6 0 "[ . 1 . ]"
1 188 PHE 34.263 0.903 15 16 [*************-+*]
1 189 LEU 18.887 0.783 13 9 "[* * * * * +**-]"
1 190 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 191 ALA 7.747 0.783 13 8 "[* * - * * +** ]"
1 192 ALA 8.445 0.630 4 6 "[ +. - ** ** ]"
1 193 THR 1.024 0.423 15 0 "[ . 1 . ]"
1 194 HIS 5.096 0.521 16 2 "[- . 1 .+]"
1 195 ALA 8.912 0.872 1 6 "[+- . * 1* * .*]"
1 196 LEU 13.905 0.508 12 1 "[ . 1 + . ]"
1 197 GLY 0.004 0.003 13 0 "[ . 1 . ]"
1 198 HIS 32.855 1.119 15 16 [**-***********+*]
1 199 SER 7.248 0.490 12 0 "[ . 1 . ]"
1 200 LEU 34.961 0.933 8 16 [*******+****-***]
1 201 GLY 10.911 0.545 3 1 "[ + . 1 . ]"
1 202 MET 34.851 0.773 10 8 "[ **-* + * *.*]"
1 203 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 204 HIS 9.124 1.119 15 5 "[ -*. 1 ** + ]"
1 205 SER 17.280 1.087 16 16 [******-********+]
1 206 SER 6.766 0.556 4 1 "[ +. 1 . ]"
1 207 ASP 0.703 0.338 11 0 "[ . 1 . ]"
1 209 ASN 5.797 0.587 10 2 "[ .- + . ]"
1 210 ALA 17.888 1.097 11 11 "[*** .* -**+* **]"
1 211 VAL 30.517 0.943 5 16 [-***+***********]
1 212 MET 2.635 0.342 13 0 "[ . 1 . ]"
1 213 TYR 19.640 1.087 16 16 [***************+]
1 214 PRO 5.448 0.432 3 0 "[ . 1 . ]"
1 215 THR 6.165 0.813 10 3 "[ . *+ .-]"
1 216 TYR 1.288 0.462 1 0 "[ . 1 . ]"
1 217 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 218 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 219 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 222 GLN 1.908 0.376 3 0 "[ . 1 . ]"
1 223 ASN 10.292 0.775 4 9 "[ * +*- ** ** * ]"
1 224 PHE 12.395 0.775 4 9 "[ * +*- ** ** * ]"
1 225 LYS 10.945 0.591 12 3 "[ . - 1 + .*]"
1 226 LEU 25.646 0.963 15 5 "[* * - * + ]"
1 227 SER 12.088 0.943 5 16 [*-**+***********]
1 228 GLN 25.138 1.130 1 12 "[+***. ***1*** -*]"
1 229 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 230 ASP 55.063 1.130 1 15 [+***-****1******]
1 231 ILE 39.734 1.014 11 16 [**********+-****]
1 232 LYS 31.544 0.882 5 13 "[ ***+* **1******]"
1 233 GLY 13.084 0.517 12 1 "[ . 1 + . ]"
1 234 ILE 20.385 0.656 13 5 "[ . * -+*.*]"
1 235 GLN 12.605 0.487 7 0 "[ . 1 . ]"
1 236 LYS 13.975 0.793 5 7 "[ **-+ * * .*]"
1 237 LEU 28.610 1.052 15 16 [***-**********+*]
1 238 TYR 26.107 0.750 8 8 "[ - *+ ** * **]"
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 GLN QG 1 3 GLU H . . 3.830 4.057 3.209 4.504 0.674 12 5 "[ **- *1 + . ]" 1
2 1 4 ALA H 1 4 ALA MB . . 3.610 2.289 2.231 2.320 . 0 0 "[ . 1 . ]" 1
3 1 4 ALA MB 1 12 TRP HE3 . . 4.400 3.651 2.252 4.952 0.552 9 1 "[ . +1 . ]" 1
4 1 4 ALA MB 1 59 ILE HB . . 4.530 4.409 3.050 4.909 0.379 5 0 "[ . 1 . ]" 1
5 1 4 ALA MB 1 59 ILE QG . . 4.270 3.679 2.096 4.401 0.131 9 0 "[ . 1 . ]" 1
6 1 4 ALA MB 1 59 ILE MG . . 5.120 4.119 2.117 5.374 0.254 5 0 "[ . 1 . ]" 1
7 1 9 GLU H 1 10 LEU H . . 3.600 2.781 2.633 2.974 . 0 0 "[ . 1 . ]" 1
8 1 9 GLU HA 1 12 TRP QB . . 4.120 2.685 2.454 2.903 . 0 0 "[ . 1 . ]" 1
9 1 10 LEU H 1 10 LEU QB . . 3.660 2.421 2.223 2.638 . 0 0 "[ . 1 . ]" 1
10 1 10 LEU H 1 11 GLN H . . 3.240 2.971 2.718 3.122 . 0 0 "[ . 1 . ]" 1
11 1 10 LEU H 1 13 GLU H . . 4.570 4.727 4.536 4.832 0.262 12 0 "[ . 1 . ]" 1
12 1 10 LEU QB 1 11 GLN H . . 3.620 2.664 2.400 3.666 0.046 5 0 "[ . 1 . ]" 1
13 1 10 LEU HB2 1 11 GLN H . . 4.230 3.078 2.440 4.018 . 0 0 "[ . 1 . ]" 1
14 1 10 LEU HB3 1 11 GLN H . . 4.230 3.319 2.532 4.231 0.001 5 0 "[ . 1 . ]" 1
15 1 11 GLN H 1 11 GLN QE . . 3.430 3.235 2.517 4.067 0.637 14 3 "[ - * +. ]" 1
16 1 11 GLN H 1 12 TRP H . . 3.160 2.786 2.590 2.978 . 0 0 "[ . 1 . ]" 1
17 1 11 GLN H 1 13 GLU H . . 4.140 4.176 3.937 4.466 0.326 4 0 "[ . 1 . ]" 1
18 1 12 TRP H 1 12 TRP HB2 . . 4.170 2.516 2.400 2.643 . 0 0 "[ . 1 . ]" 1
19 1 12 TRP H 1 12 TRP HB3 . . 4.170 2.618 2.514 2.758 . 0 0 "[ . 1 . ]" 1
20 1 12 TRP H 1 13 GLU H . . 3.100 2.830 2.721 2.919 . 0 0 "[ . 1 . ]" 1
21 1 12 TRP HA 1 15 ALA H . . 4.700 3.605 3.333 3.981 . 0 0 "[ . 1 . ]" 1
22 1 12 TRP QB 1 13 GLU H . . 3.790 2.617 2.407 2.759 . 0 0 "[ . 1 . ]" 1
23 1 13 GLU H 1 14 GLN H . . 2.850 2.741 2.574 2.922 0.072 10 0 "[ . 1 . ]" 1
24 1 13 GLU H 1 14 GLN HA . . 5.440 5.302 5.179 5.433 . 0 0 "[ . 1 . ]" 1
25 1 13 GLU H 1 15 ALA H . . 4.440 4.263 4.020 4.543 0.103 10 0 "[ . 1 . ]" 1
26 1 14 GLN H 1 14 GLN QB . . 3.490 2.464 2.280 2.611 . 0 0 "[ . 1 . ]" 1
27 1 14 GLN H 1 14 GLN QG . . 4.400 2.829 2.340 4.110 . 0 0 "[ . 1 . ]" 1
28 1 14 GLN H 1 15 ALA H . . 3.060 2.887 2.683 3.005 . 0 0 "[ . 1 . ]" 1
29 1 14 GLN H 1 15 ALA MB . . 4.920 4.563 4.351 4.659 . 0 0 "[ . 1 . ]" 1
30 1 14 GLN H 1 16 GLN H . . 4.450 4.494 4.121 4.678 0.228 14 0 "[ . 1 . ]" 1
31 1 14 GLN HA 1 14 GLN QG . . 3.740 2.417 2.275 2.650 . 0 0 "[ . 1 . ]" 1
32 1 14 GLN QB 1 15 ALA H . . 4.000 2.629 2.425 2.779 . 0 0 "[ . 1 . ]" 1
33 1 14 GLN HB2 1 15 ALA H . . 4.790 2.870 2.509 3.922 . 0 0 "[ . 1 . ]" 1
34 1 14 GLN HB3 1 15 ALA H . . 4.790 3.411 2.641 3.756 . 0 0 "[ . 1 . ]" 1
35 1 15 ALA H 1 16 GLN H . . 3.090 2.976 2.842 3.126 0.036 3 0 "[ . 1 . ]" 1
36 1 15 ALA H 1 17 ASP H . . 4.340 4.379 4.235 4.600 0.260 8 0 "[ . 1 . ]" 1
37 1 15 ALA H 1 59 ILE MD . . 4.610 3.923 3.431 4.300 . 0 0 "[ . 1 . ]" 1
38 1 15 ALA HA 1 18 TYR QB . . 4.360 2.766 2.447 3.117 . 0 0 "[ . 1 . ]" 1
39 1 15 ALA HA 1 19 LEU H . . 4.750 4.267 3.699 4.677 . 0 0 "[ . 1 . ]" 1
40 1 15 ALA HA 1 62 MET ME . . 4.160 3.206 2.616 3.872 . 0 0 "[ . 1 . ]" 1
41 1 15 ALA MB 1 16 GLN H . . 4.210 2.477 2.385 2.589 . 0 0 "[ . 1 . ]" 1
42 1 15 ALA MB 1 18 TYR H . . 4.880 4.612 4.430 4.794 . 0 0 "[ . 1 . ]" 1
43 1 15 ALA MB 1 59 ILE MD . . 4.860 2.391 1.985 3.112 . 0 0 "[ . 1 . ]" 1
44 1 15 ALA MB 1 62 MET ME . . 4.270 2.348 2.076 2.673 . 0 0 "[ . 1 . ]" 1
45 1 16 GLN H 1 16 GLN QB . . 3.440 2.362 2.255 2.736 . 0 0 "[ . 1 . ]" 1
46 1 16 GLN H 1 16 GLN HB2 . . 4.160 2.590 2.450 2.813 . 0 0 "[ . 1 . ]" 1
47 1 16 GLN H 1 16 GLN HB3 . . 4.160 2.854 2.451 3.738 . 0 0 "[ . 1 . ]" 1
48 1 16 GLN H 1 16 GLN QE . . 4.410 4.715 4.344 5.061 0.651 9 3 "[ .* -+1 . ]" 1
49 1 16 GLN H 1 17 ASP H . . 3.080 2.838 2.686 2.940 . 0 0 "[ . 1 . ]" 1
50 1 16 GLN H 1 18 TYR H . . 3.870 4.228 4.038 4.538 0.668 1 2 "[+ . -1 . ]" 1
51 1 16 GLN HA 1 19 LEU H . . 4.080 3.524 3.174 4.079 . 0 0 "[ . 1 . ]" 1
52 1 16 GLN QE 1 35 LEU H . . 4.390 4.618 4.139 5.259 0.869 10 4 "[ . - +* * ]" 1
53 1 16 GLN QG 1 17 ASP H . . 3.840 3.737 3.445 4.156 0.316 15 0 "[ . 1 . ]" 1
54 1 17 ASP H 1 17 ASP QB . . 3.550 2.425 2.252 2.591 . 0 0 "[ . 1 . ]" 1
55 1 17 ASP H 1 18 TYR H . . 2.960 2.817 2.671 2.962 0.002 13 0 "[ . 1 . ]" 1
56 1 17 ASP HA 1 20 LYS H . . 4.280 3.379 2.991 3.966 . 0 0 "[ . 1 . ]" 1
57 1 18 TYR H 1 18 TYR QB . . 3.520 2.413 2.270 2.570 . 0 0 "[ . 1 . ]" 1
58 1 18 TYR H 1 18 TYR HB2 . . 4.040 2.469 2.319 2.620 . 0 0 "[ . 1 . ]" 1
59 1 18 TYR H 1 18 TYR HB3 . . 4.040 3.575 2.498 3.719 . 0 0 "[ . 1 . ]" 1
60 1 18 TYR H 1 19 LEU H . . 3.100 2.711 2.586 2.988 . 0 0 "[ . 1 . ]" 1
61 1 18 TYR H 1 21 ARG QG . . 4.730 4.932 4.673 5.273 0.543 14 1 "[ . 1 +. ]" 1
62 1 18 TYR HA 1 21 ARG QG . . 4.350 2.428 2.218 2.740 . 0 0 "[ . 1 . ]" 1
63 1 18 TYR QB 1 19 LEU H . . 3.950 2.824 2.590 3.141 . 0 0 "[ . 1 . ]" 1
64 1 18 TYR QB 1 20 LYS H . . 4.560 4.895 4.671 5.388 0.828 5 3 "[ + 1- * . ]" 1
65 1 18 TYR HB2 1 19 LEU H . . 4.610 3.024 2.673 3.971 . 0 0 "[ . 1 . ]" 1
66 1 18 TYR HB2 1 20 LYS H . . 5.330 5.398 5.088 5.957 0.627 5 1 "[ + 1 . ]" 1
67 1 18 TYR HB2 1 62 MET ME . . 4.250 3.795 3.362 4.342 0.092 5 0 "[ . 1 . ]" 1
68 1 18 TYR HB3 1 19 LEU H . . 4.610 3.606 2.656 3.933 . 0 0 "[ . 1 . ]" 1
69 1 18 TYR HB3 1 20 LYS H . . 5.330 5.636 4.952 6.149 0.819 5 3 "[ + 1- * . ]" 1
70 1 18 TYR HB3 1 62 MET ME . . 4.250 4.426 2.643 4.855 0.605 1 2 "[+ . -1 . ]" 1
71 1 19 LEU H 1 19 LEU QB . . 3.570 2.249 2.201 2.303 . 0 0 "[ . 1 . ]" 1
72 1 19 LEU H 1 20 LYS H . . 3.840 2.685 2.484 2.922 . 0 0 "[ . 1 . ]" 1
73 1 19 LEU H 1 62 MET ME . . 4.820 3.396 2.538 3.902 . 0 0 "[ . 1 . ]" 1
74 1 19 LEU HA 1 21 ARG QG . . 4.250 4.457 3.929 4.648 0.398 13 0 "[ . 1 . ]" 1
75 1 19 LEU QB 1 20 LYS H . . 4.240 2.685 2.423 2.914 . 0 0 "[ . 1 . ]" 1
76 1 19 LEU HB2 1 20 LYS H . . 4.290 3.861 3.550 4.085 . 0 0 "[ . 1 . ]" 1
77 1 19 LEU HB2 1 62 MET ME . . 4.820 2.353 2.152 2.663 . 0 0 "[ . 1 . ]" 1
78 1 19 LEU HB3 1 20 LYS H . . 4.290 2.744 2.448 2.994 . 0 0 "[ . 1 . ]" 1
79 1 19 LEU HB3 1 62 MET ME . . 4.820 3.657 3.256 4.017 . 0 0 "[ . 1 . ]" 1
80 1 19 LEU HG 1 62 MET ME . . 4.570 3.284 2.383 4.268 . 0 0 "[ . 1 . ]" 1
81 1 20 LYS H 1 20 LYS QB . . 3.150 2.318 2.220 2.555 . 0 0 "[ . 1 . ]" 1
82 1 20 LYS H 1 20 LYS HB2 . . 3.820 3.454 2.343 3.683 . 0 0 "[ . 1 . ]" 1
83 1 20 LYS H 1 20 LYS HB3 . . 3.820 2.392 2.244 2.867 . 0 0 "[ . 1 . ]" 1
84 1 20 LYS H 1 20 LYS QD . . 3.990 4.050 3.664 4.356 0.366 13 0 "[ . 1 . ]" 1
85 1 20 LYS H 1 21 ARG H . . 3.220 3.023 2.862 3.201 . 0 0 "[ . 1 . ]" 1
86 1 20 LYS H 1 22 PHE H . . 4.290 4.453 4.346 4.649 0.359 5 0 "[ . 1 . ]" 1
87 1 20 LYS HA 1 20 LYS QE . . 4.210 4.365 4.123 4.708 0.498 2 0 "[ . 1 . ]" 1
88 1 20 LYS HA 1 20 LYS HE2 . . 4.900 5.075 4.513 5.383 0.483 5 0 "[ . 1 . ]" 1
89 1 20 LYS HA 1 20 LYS HE3 . . 4.900 4.794 4.648 5.542 0.642 2 1 "[ + . 1 . ]" 1
90 1 20 LYS HA 1 20 LYS QG . . 3.640 3.271 2.777 3.374 . 0 0 "[ . 1 . ]" 1
91 1 20 LYS QB 1 21 ARG H . . 3.920 3.514 2.496 3.806 . 0 0 "[ . 1 . ]" 1
92 1 20 LYS QG 1 21 ARG H . . 3.850 2.554 2.280 3.889 0.039 1 0 "[ . 1 . ]" 1
93 1 20 LYS QG 1 21 ARG HA . . 4.300 3.280 2.947 4.568 0.268 13 0 "[ . 1 . ]" 1
94 1 20 LYS QG 1 26 ASP H . . 4.200 3.694 2.840 4.379 0.179 10 0 "[ . 1 . ]" 1
95 1 20 LYS HG2 1 21 ARG H . . 4.510 2.787 2.311 4.737 0.227 1 0 "[ . 1 . ]" 1
96 1 20 LYS HG3 1 21 ARG H . . 4.510 3.493 2.588 4.772 0.262 2 0 "[ . 1 . ]" 1
97 1 21 ARG H 1 21 ARG QB . . 3.430 2.661 2.513 2.818 . 0 0 "[ . 1 . ]" 1
98 1 21 ARG H 1 21 ARG QD . . 4.160 4.422 4.056 4.616 0.456 3 0 "[ . 1 . ]" 1
99 1 21 ARG H 1 21 ARG HD2 . . 4.850 4.950 4.292 5.202 0.352 3 0 "[ . 1 . ]" 1
100 1 21 ARG H 1 21 ARG HD3 . . 4.850 4.995 4.740 5.161 0.311 3 0 "[ . 1 . ]" 1
101 1 21 ARG H 1 21 ARG QG . . 4.150 2.430 2.207 2.727 . 0 0 "[ . 1 . ]" 1
102 1 21 ARG H 1 22 PHE H . . 3.370 2.653 2.440 2.905 . 0 0 "[ . 1 . ]" 1
103 1 21 ARG H 1 22 PHE QB . . 4.700 4.774 4.449 5.064 0.364 5 0 "[ . 1 . ]" 1
104 1 21 ARG H 1 23 TYR H . . 4.380 4.233 3.949 4.517 0.137 12 0 "[ . 1 . ]" 1
105 1 21 ARG HA 1 21 ARG QG . . 3.690 3.408 3.372 3.479 . 0 0 "[ . 1 . ]" 1
106 1 21 ARG QD 1 155 THR MG . . 4.110 4.098 3.796 4.341 0.231 9 0 "[ . 1 . ]" 1
107 1 21 ARG HD2 1 155 THR MG . . 4.770 4.658 4.082 5.243 0.473 9 0 "[ . 1 . ]" 1
108 1 21 ARG HD3 1 155 THR MG . . 4.770 4.569 4.168 4.904 0.134 6 0 "[ . 1 . ]" 1
109 1 19 LEU MD2 1 22 PHE H . . 4.230 4.078 3.666 4.581 0.351 8 0 "[ . 1 . ]" 1
110 1 22 PHE H 1 22 PHE QB . . 3.500 2.496 2.333 2.585 . 0 0 "[ . 1 . ]" 1
111 1 22 PHE H 1 23 TYR H . . 3.280 2.892 2.586 3.046 . 0 0 "[ . 1 . ]" 1
112 1 22 PHE H 1 24 LEU H . . 4.970 5.029 4.444 5.747 0.777 14 2 "[ . 1 +- ]" 1
113 1 23 TYR H 1 23 TYR QB . . 3.680 2.575 2.424 3.156 . 0 0 "[ . 1 . ]" 1
114 1 23 TYR H 1 24 LEU H . . 2.980 3.102 2.462 3.566 0.586 11 1 "[ . 1+ . ]" 1
115 1 23 TYR QB 1 24 LEU H . . 3.850 3.669 2.247 4.216 0.366 12 0 "[ . 1 . ]" 1
116 1 23 TYR QB 1 24 LEU HG . . 3.920 4.137 3.905 4.597 0.677 2 2 "[ + . 1 - . ]" 1
117 1 23 TYR QB 1 72 VAL H . . 4.550 5.024 4.301 5.606 1.056 15 7 "[ * *. * 1* - +*]" 1
118 1 24 LEU H 1 24 LEU QB . . 3.690 3.272 2.711 3.540 . 0 0 "[ . 1 . ]" 1
119 1 24 LEU H 1 24 LEU HG . . 4.000 3.289 2.803 4.091 0.091 9 0 "[ . 1 . ]" 1
120 1 24 LEU H 1 70 PRO QB . . 4.390 3.565 2.400 5.021 0.631 14 2 "[ . 1 +- ]" 1
121 1 24 LEU HA 1 70 PRO QB . . 4.140 3.831 3.209 4.256 0.116 3 0 "[ . 1 . ]" 1
122 1 25 TYR H 1 25 TYR QB . . 3.640 2.808 2.258 3.106 . 0 0 "[ . 1 . ]" 1
123 1 25 TYR H 1 25 TYR HB2 . . 3.460 3.197 2.456 3.709 0.249 16 0 "[ . 1 . ]" 1
124 1 25 TYR H 1 25 TYR HB3 . . 3.470 3.148 2.541 3.526 0.056 3 0 "[ . 1 . ]" 1
125 1 25 TYR H 1 25 TYR QD . . 4.240 4.417 4.275 4.547 0.307 13 0 "[ . 1 . ]" 1
126 1 25 TYR H 1 26 ASP H . . 4.020 3.356 2.794 4.113 0.093 12 0 "[ . 1 . ]" 1
127 1 25 TYR HA 1 25 TYR QE . . 4.420 4.513 4.420 4.660 0.240 16 0 "[ . 1 . ]" 1
128 1 25 TYR HB3 1 26 ASP HA . . 4.760 4.917 4.807 5.140 0.380 3 0 "[ . 1 . ]" 1
129 1 25 TYR QD 1 26 ASP H . . 4.110 3.420 2.910 3.817 . 0 0 "[ . 1 . ]" 1
130 1 25 TYR QD 1 26 ASP HA . . 4.380 4.209 3.813 4.710 0.330 5 0 "[ . 1 . ]" 1
131 1 25 TYR QD 1 27 SER QB . . 5.340 3.851 2.742 4.790 . 0 0 "[ . 1 . ]" 1
132 1 25 TYR QE 1 27 SER QB . . 4.690 3.346 2.439 4.633 . 0 0 "[ . 1 . ]" 1
133 1 26 ASP H 1 26 ASP QB . . 3.640 2.442 2.282 2.596 . 0 0 "[ . 1 . ]" 1
134 1 28 GLU H 1 28 GLU QB . . 3.440 2.412 2.230 2.630 . 0 0 "[ . 1 . ]" 1
135 1 28 GLU H 1 29 THR H . . 3.540 2.921 2.726 3.106 . 0 0 "[ . 1 . ]" 1
136 1 28 GLU HA 1 28 GLU QG . . 3.680 2.597 2.316 3.553 . 0 0 "[ . 1 . ]" 1
137 1 28 GLU QB 1 29 THR H . . 4.190 2.905 2.542 3.761 . 0 0 "[ . 1 . ]" 1
138 1 29 THR H 1 29 THR HB . . 3.970 2.971 2.479 3.766 . 0 0 "[ . 1 . ]" 1
139 1 29 THR H 1 29 THR MG . . 4.580 3.458 2.299 3.895 . 0 0 "[ . 1 . ]" 1
140 1 29 THR H 1 30 LYS H . . 4.590 3.014 2.794 3.218 . 0 0 "[ . 1 . ]" 1
141 1 29 THR MG 1 34 SER QB . . 4.170 2.805 2.154 4.401 0.231 3 0 "[ . 1 . ]" 1
142 1 29 THR MG 1 38 LYS H . . 4.460 4.426 3.637 5.293 0.833 16 3 "[ *.- 1 .+]" 1
143 1 31 ASN QB 1 32 ALA H . . 3.670 3.170 2.645 3.847 0.177 3 0 "[ . 1 . ]" 1
144 1 33 ASN H 1 34 SER H . . 4.240 2.674 2.467 3.014 . 0 0 "[ . 1 . ]" 1
145 1 33 ASN HB2 1 34 SER H . . 5.500 3.539 2.414 3.954 . 0 0 "[ . 1 . ]" 1
146 1 33 ASN HB3 1 34 SER H . . 5.500 3.024 2.416 3.988 . 0 0 "[ . 1 . ]" 1
147 1 34 SER H 1 34 SER QB . . 3.700 2.524 2.302 2.606 . 0 0 "[ . 1 . ]" 1
148 1 34 SER H 1 34 SER HB2 . . 4.070 2.732 2.510 3.684 . 0 0 "[ . 1 . ]" 1
149 1 34 SER H 1 34 SER HB3 . . 4.070 3.397 2.584 3.685 . 0 0 "[ . 1 . ]" 1
150 1 34 SER H 1 35 LEU H . . 4.650 2.827 2.611 3.031 . 0 0 "[ . 1 . ]" 1
151 1 34 SER HA 1 36 GLU H . . 4.680 4.151 3.926 4.629 . 0 0 "[ . 1 . ]" 1
152 1 34 SER HA 1 37 ALA MB . . 4.300 2.983 2.617 3.151 . 0 0 "[ . 1 . ]" 1
153 1 34 SER HA 1 38 LYS H . . 5.040 3.994 3.568 4.311 . 0 0 "[ . 1 . ]" 1
154 1 34 SER QB 1 35 LEU H . . 3.630 2.863 2.553 3.510 . 0 0 "[ . 1 . ]" 1
155 1 34 SER QB 1 37 ALA MB . . 4.390 3.885 3.239 4.367 . 0 0 "[ . 1 . ]" 1
156 1 34 SER HB2 1 35 LEU H . . 4.160 3.115 2.608 4.146 . 0 0 "[ . 1 . ]" 1
157 1 34 SER HB3 1 35 LEU H . . 4.160 3.768 2.892 4.415 0.255 15 0 "[ . 1 . ]" 1
158 1 35 LEU H 1 35 LEU QB . . 3.640 2.372 2.198 2.734 . 0 0 "[ . 1 . ]" 1
159 1 35 LEU H 1 36 GLU H . . 3.240 3.017 2.726 3.245 0.005 2 0 "[ . 1 . ]" 1
160 1 35 LEU QB 1 36 GLU H . . 4.090 2.935 2.359 3.749 . 0 0 "[ . 1 . ]" 1
161 1 36 GLU H 1 37 ALA H . . 3.010 2.867 2.725 3.082 0.072 15 0 "[ . 1 . ]" 1
162 1 36 GLU HA 1 36 GLU QG . . 3.650 2.598 2.425 3.437 . 0 0 "[ . 1 . ]" 1
163 1 36 GLU HA 1 39 LEU QB . . 5.040 3.074 2.562 3.689 . 0 0 "[ . 1 . ]" 1
164 1 36 GLU QB 1 37 ALA H . . 3.080 2.700 2.407 3.654 0.574 15 2 "[ . -1 + ]" 1
165 1 36 GLU HB2 1 37 ALA H . . 3.590 2.862 2.541 3.955 0.365 15 0 "[ . 1 . ]" 1
166 1 36 GLU QG 1 37 ALA H . . 3.350 3.800 2.317 4.092 0.742 5 13 "[*** +*** *-***.*]" 1
167 1 37 ALA H 1 37 ALA MB . . 3.020 2.293 2.279 2.320 . 0 0 "[ . 1 . ]" 1
168 1 37 ALA H 1 38 LYS H . . 2.780 2.749 2.589 2.892 0.112 13 0 "[ . 1 . ]" 1
169 1 37 ALA H 1 39 LEU H . . 4.340 4.435 4.006 4.718 0.378 16 0 "[ . 1 . ]" 1
170 1 37 ALA HA 1 40 LYS H . . 4.120 3.436 3.149 3.962 . 0 0 "[ . 1 . ]" 1
171 1 37 ALA HA 1 40 LYS QB . . 3.770 2.686 2.363 3.015 . 0 0 "[ . 1 . ]" 1
172 1 37 ALA MB 1 38 LYS H . . 3.350 2.574 2.365 2.762 . 0 0 "[ . 1 . ]" 1
173 1 37 ALA MB 1 40 LYS QB . . 4.490 3.814 3.573 4.002 . 0 0 "[ . 1 . ]" 1
174 1 38 LYS H 1 38 LYS QB . . 3.590 2.287 2.191 2.559 . 0 0 "[ . 1 . ]" 1
175 1 38 LYS H 1 38 LYS HB2 . . 4.110 2.487 2.269 3.715 . 0 0 "[ . 1 . ]" 1
176 1 38 LYS H 1 38 LYS HB3 . . 4.110 2.971 2.331 3.654 . 0 0 "[ . 1 . ]" 1
177 1 38 LYS H 1 39 LEU H . . 2.930 2.845 2.734 3.007 0.077 4 0 "[ . 1 . ]" 1
178 1 38 LYS HA 1 40 LYS H . . 4.240 4.367 4.114 4.925 0.685 8 1 "[ . + 1 . ]" 1
179 1 38 LYS HA 1 40 LYS QB . . 5.120 4.726 4.331 4.986 . 0 0 "[ . 1 . ]" 1
180 1 38 LYS HA 1 41 GLU H . . 3.800 3.391 3.097 3.653 . 0 0 "[ . 1 . ]" 1
181 1 38 LYS HA 1 41 GLU QB . . 4.560 3.711 3.044 4.280 . 0 0 "[ . 1 . ]" 1
182 1 38 LYS HA 1 41 GLU QG . . 4.920 3.272 2.714 3.774 . 0 0 "[ . 1 . ]" 1
183 1 38 LYS QB 1 39 LEU H . . 3.390 2.664 2.347 3.666 0.276 15 0 "[ . 1 . ]" 1
184 1 38 LYS HB2 1 39 LEU H . . 3.980 3.563 2.732 4.311 0.331 1 0 "[ . 1 . ]" 1
185 1 38 LYS HB3 1 39 LEU H . . 3.980 2.886 2.372 4.192 0.212 15 0 "[ . 1 . ]" 1
186 1 39 LEU H 1 39 LEU HB2 . . 3.940 2.497 2.348 2.781 . 0 0 "[ . 1 . ]" 1
187 1 39 LEU H 1 39 LEU HB3 . . 3.940 3.667 3.606 3.741 . 0 0 "[ . 1 . ]" 1
188 1 39 LEU H 1 40 LYS H . . 3.050 2.834 2.559 3.194 0.144 11 0 "[ . 1 . ]" 1
189 1 39 LEU H 1 40 LYS QB . . 4.960 4.647 4.177 4.916 . 0 0 "[ . 1 . ]" 1
190 1 39 LEU H 1 41 GLU H . . 4.560 4.476 4.272 4.658 0.098 16 0 "[ . 1 . ]" 1
191 1 39 LEU H 1 42 MET H . . 5.020 4.974 4.760 5.172 0.152 12 0 "[ . 1 . ]" 1
192 1 39 LEU QB 1 40 LYS H . . 3.610 2.644 2.449 2.896 . 0 0 "[ . 1 . ]" 1
193 1 40 LYS H 1 40 LYS HB2 . . 3.680 2.419 2.306 2.505 . 0 0 "[ . 1 . ]" 1
194 1 40 LYS H 1 40 LYS HB3 . . 3.680 2.968 2.733 3.596 . 0 0 "[ . 1 . ]" 1
195 1 40 LYS H 1 41 GLU H . . 2.980 3.072 2.987 3.313 0.333 8 0 "[ . 1 . ]" 1
196 1 40 LYS H 1 41 GLU QG . . 5.100 5.187 4.747 5.561 0.461 8 0 "[ . 1 . ]" 1
197 1 40 LYS H 1 42 MET H . . 4.150 4.452 4.253 4.651 0.501 8 1 "[ . + 1 . ]" 1
198 1 40 LYS H 1 52 GLY H . . 4.490 4.649 4.127 4.881 0.391 3 0 "[ . 1 . ]" 1
199 1 40 LYS H 1 52 GLY HA2 . . 4.540 4.467 3.836 4.978 0.438 1 0 "[ . 1 . ]" 1
200 1 40 LYS QB 1 41 GLU HA . . 4.040 4.009 3.632 4.262 0.222 12 0 "[ . 1 . ]" 1
201 1 40 LYS QB 1 52 GLY H . . 4.560 4.332 4.026 5.202 0.642 9 1 "[ . +1 . ]" 1
202 1 40 LYS HB2 1 41 GLU H . . 3.820 3.861 3.031 4.128 0.308 12 0 "[ . 1 . ]" 1
203 1 40 LYS HB3 1 41 GLU H . . 3.820 2.805 2.485 3.148 . 0 0 "[ . 1 . ]" 1
204 1 41 GLU H 1 41 GLU QB . . 3.020 2.423 2.333 2.546 . 0 0 "[ . 1 . ]" 1
205 1 41 GLU H 1 41 GLU HB2 . . 3.530 3.677 3.627 3.715 0.185 1 0 "[ . 1 . ]" 1
206 1 41 GLU H 1 41 GLU HB3 . . 3.530 2.458 2.361 2.594 . 0 0 "[ . 1 . ]" 1
207 1 41 GLU H 1 41 GLU QG . . 3.810 2.859 2.505 3.177 . 0 0 "[ . 1 . ]" 1
208 1 41 GLU H 1 42 MET H . . 3.710 2.737 2.644 2.810 . 0 0 "[ . 1 . ]" 1
209 1 41 GLU HA 1 43 GLN H . . 4.860 4.085 3.651 4.473 . 0 0 "[ . 1 . ]" 1
210 1 41 GLU HA 1 44 LYS H . . 3.960 3.484 3.255 3.910 . 0 0 "[ . 1 . ]" 1
211 1 41 GLU QG 1 42 MET H . . 3.800 2.354 2.277 2.621 . 0 0 "[ . 1 . ]" 1
212 1 41 GLU QG 1 42 MET HA . . 3.560 3.203 2.799 4.219 0.659 14 2 "[ - 1 +. ]" 1
213 1 42 MET H 1 42 MET QB . . 3.220 2.282 2.215 2.348 . 0 0 "[ . 1 . ]" 1
214 1 42 MET H 1 42 MET HB2 . . 3.700 2.500 2.378 2.651 . 0 0 "[ . 1 . ]" 1
215 1 42 MET H 1 42 MET HB3 . . 3.700 2.688 2.543 3.624 . 0 0 "[ . 1 . ]" 1
216 1 42 MET H 1 43 GLN H . . 3.120 2.782 2.565 2.926 . 0 0 "[ . 1 . ]" 1
217 1 42 MET H 1 44 LYS H . . 4.130 4.532 4.356 5.084 0.954 7 2 "[ . + 1 .-]" 1
218 1 42 MET HA 1 42 MET QG . . 3.670 2.486 2.351 2.647 . 0 0 "[ . 1 . ]" 1
219 1 42 MET HA 1 44 LYS H . . 4.730 4.459 4.103 5.096 0.366 7 0 "[ . 1 . ]" 1
220 1 42 MET HA 1 45 PHE QB . . 4.330 2.528 2.335 2.730 . 0 0 "[ . 1 . ]" 1
221 1 42 MET QB 1 43 GLN H . . 3.470 2.718 2.383 3.540 0.070 7 0 "[ . 1 . ]" 1
222 1 42 MET HB2 1 43 GLN H . . 4.010 3.909 2.605 4.471 0.461 7 0 "[ . 1 . ]" 1
223 1 42 MET HB3 1 43 GLN H . . 4.010 2.806 2.407 3.711 . 0 0 "[ . 1 . ]" 1
224 1 42 MET ME 1 43 GLN QG . . 5.230 4.948 4.077 5.919 0.689 15 2 "[ . -1 + ]" 1
225 1 42 MET ME 1 46 PHE QD . . 3.920 3.391 2.732 3.889 . 0 0 "[ . 1 . ]" 1
226 1 42 MET ME 1 46 PHE QE . . 3.960 3.176 2.211 4.023 0.063 16 0 "[ . 1 . ]" 1
227 1 42 MET ME 1 58 VAL HA . . 4.020 3.786 3.082 4.386 0.366 13 0 "[ . 1 . ]" 1
228 1 42 MET ME 1 61 ILE HB . . 4.790 4.689 3.231 5.744 0.954 13 6 "[ - .* 1* +*.*]" 1
229 1 42 MET ME 1 61 ILE MD . . 3.680 2.380 1.938 3.750 0.070 12 0 "[ . 1 . ]" 1
230 1 42 MET ME 1 61 ILE QG . . 4.540 3.368 2.322 5.312 0.772 12 1 "[ . 1 + . ]" 1
231 1 42 MET ME 1 61 ILE MG . . 4.070 4.191 3.543 4.645 0.575 8 1 "[ . + 1 . ]" 1
232 1 42 MET ME 1 62 MET QB . . 4.880 4.901 4.095 5.874 0.994 13 4 "[ .- 1 +*.*]" 1
233 1 42 MET ME 1 62 MET QG . . 3.800 3.119 2.166 4.188 0.388 13 0 "[ . 1 . ]" 1
234 1 42 MET ME 1 62 MET HG2 . . 4.530 3.330 2.236 4.533 0.003 13 0 "[ . 1 . ]" 1
235 1 42 MET ME 1 62 MET HG3 . . 4.530 3.938 2.894 4.924 0.394 13 0 "[ . 1 . ]" 1
236 1 42 MET ME 1 42 MET QG . . 3.460 2.259 2.151 2.436 . 0 0 "[ . 1 . ]" 1
237 1 42 MET QG 1 46 PHE QD . . 3.520 2.593 2.116 3.393 . 0 0 "[ . 1 . ]" 1
238 1 42 MET QG 1 61 ILE MD . . 4.880 3.886 3.033 5.026 0.146 12 0 "[ . 1 . ]" 1
239 1 42 MET HG2 1 46 PHE QD . . 4.210 2.728 2.294 3.605 . 0 0 "[ . 1 . ]" 1
240 1 42 MET HG2 1 46 PHE QE . . 4.440 3.216 2.574 4.104 . 0 0 "[ . 1 . ]" 1
241 1 42 MET HG3 1 46 PHE QD . . 4.210 3.404 2.483 4.674 0.464 3 0 "[ . 1 . ]" 1
242 1 42 MET HG3 1 46 PHE QE . . 4.440 3.011 2.388 4.334 . 0 0 "[ . 1 . ]" 1
243 1 43 GLN H 1 43 GLN HB3 . . 4.000 3.683 3.609 3.742 . 0 0 "[ . 1 . ]" 1
244 1 43 GLN H 1 43 GLN QE . . 4.470 4.406 4.162 4.676 0.206 7 0 "[ . 1 . ]" 1
245 1 43 GLN H 1 43 GLN QG . . 3.440 2.241 2.138 2.479 . 0 0 "[ . 1 . ]" 1
246 1 43 GLN H 1 44 LYS H . . 3.160 2.768 2.456 2.979 . 0 0 "[ . 1 . ]" 1
247 1 43 GLN H 1 44 LYS QG . . 4.910 4.509 3.521 4.760 . 0 0 "[ . 1 . ]" 1
248 1 43 GLN H 1 45 PHE H . . 3.950 4.179 3.363 4.605 0.655 13 2 "[ . 1 +-. ]" 1
249 1 43 GLN HA 1 48 LEU H . . 4.470 4.691 4.469 5.393 0.923 11 2 "[- . 1+ . ]" 1
250 1 43 GLN HA 1 48 LEU HG . . 4.390 2.764 2.565 3.407 . 0 0 "[ . 1 . ]" 1
251 1 43 GLN QE 1 52 GLY H . . 3.890 2.792 2.470 3.398 . 0 0 "[ . 1 . ]" 1
252 1 43 GLN QE 1 53 MET H . . 3.330 2.467 2.281 2.724 . 0 0 "[ . 1 . ]" 1
253 1 44 LYS H 1 44 LYS QB . . 3.480 2.508 2.412 2.724 . 0 0 "[ . 1 . ]" 1
254 1 44 LYS H 1 44 LYS HB2 . . 3.560 2.622 2.447 3.683 0.123 7 0 "[ . 1 . ]" 1
255 1 44 LYS H 1 44 LYS HB3 . . 3.560 3.611 2.592 3.716 0.156 11 0 "[ . 1 . ]" 1
256 1 44 LYS H 1 44 LYS QD . . 4.410 4.106 2.862 4.460 0.050 1 0 "[ . 1 . ]" 1
257 1 44 LYS H 1 44 LYS HD2 . . 5.160 4.763 2.933 5.134 . 0 0 "[ . 1 . ]" 1
258 1 44 LYS H 1 44 LYS HD3 . . 5.160 4.579 3.038 5.052 . 0 0 "[ . 1 . ]" 1
259 1 44 LYS H 1 44 LYS QE . . 3.890 3.745 3.225 4.336 0.446 7 0 "[ . 1 . ]" 1
260 1 44 LYS H 1 44 LYS HE2 . . 4.550 4.295 3.711 5.229 0.679 3 2 "[ + . - 1 . ]" 1
261 1 44 LYS H 1 44 LYS HE3 . . 4.550 4.253 3.272 4.711 0.161 13 0 "[ . 1 . ]" 1
262 1 44 LYS H 1 44 LYS QG . . 3.360 2.390 2.249 2.484 . 0 0 "[ . 1 . ]" 1
263 1 44 LYS H 1 44 LYS HG2 . . 3.860 2.498 2.269 3.495 . 0 0 "[ . 1 . ]" 1
264 1 44 LYS H 1 44 LYS HG3 . . 3.860 3.608 2.277 3.789 . 0 0 "[ . 1 . ]" 1
265 1 44 LYS H 1 45 PHE H . . 2.950 2.654 2.577 2.859 . 0 0 "[ . 1 . ]" 1
266 1 44 LYS HA 1 44 LYS QD . . 3.520 2.935 2.250 3.924 0.404 7 0 "[ . 1 . ]" 1
267 1 44 LYS HA 1 44 LYS HD2 . . 4.140 3.957 2.542 4.246 0.106 10 0 "[ . 1 . ]" 1
268 1 44 LYS HA 1 44 LYS HD3 . . 4.140 3.155 2.265 4.698 0.558 7 1 "[ . + 1 . ]" 1
269 1 44 LYS HA 1 44 LYS QG . . 3.600 3.062 2.878 3.564 . 0 0 "[ . 1 . ]" 1
270 1 44 LYS HA 1 44 LYS HG2 . . 4.220 3.238 2.966 4.294 0.074 7 0 "[ . 1 . ]" 1
271 1 44 LYS HA 1 44 LYS HG3 . . 4.220 3.876 3.808 3.949 . 0 0 "[ . 1 . ]" 1
272 1 44 LYS HA 1 46 PHE H . . 4.500 4.354 4.055 4.746 0.246 3 0 "[ . 1 . ]" 1
273 1 44 LYS QB 1 45 PHE H . . 4.020 2.589 2.404 3.691 . 0 0 "[ . 1 . ]" 1
274 1 44 LYS QG 1 45 PHE H . . 4.570 3.992 2.688 4.200 . 0 0 "[ . 1 . ]" 1
275 1 44 LYS HG2 1 45 PHE H . . 5.360 4.384 3.933 4.555 . 0 0 "[ . 1 . ]" 1
276 1 44 LYS HG3 1 45 PHE H . . 5.360 4.722 2.717 4.946 . 0 0 "[ . 1 . ]" 1
277 1 45 PHE H 1 45 PHE HB2 . . 3.740 2.533 2.381 2.777 . 0 0 "[ . 1 . ]" 1
278 1 45 PHE H 1 45 PHE HB3 . . 3.740 2.615 2.356 2.838 . 0 0 "[ . 1 . ]" 1
279 1 45 PHE H 1 45 PHE QD . . 4.080 4.219 4.049 4.279 0.199 14 0 "[ . 1 . ]" 1
280 1 45 PHE H 1 46 PHE H . . 3.150 2.921 2.749 3.034 . 0 0 "[ . 1 . ]" 1
281 1 45 PHE H 1 46 PHE QD . . 4.630 4.531 4.118 4.867 0.237 2 0 "[ . 1 . ]" 1
282 1 45 PHE H 1 47 GLY H . . 4.050 4.290 4.023 4.690 0.640 10 1 "[ . + . ]" 1
283 1 45 PHE HA 1 45 PHE QE . . 4.970 4.673 4.416 4.865 . 0 0 "[ . 1 . ]" 1
284 1 45 PHE QB 1 46 PHE H . . 4.120 2.649 2.536 2.801 . 0 0 "[ . 1 . ]" 1
285 1 45 PHE QB 1 46 PHE QD . . 4.850 2.748 2.304 3.295 . 0 0 "[ . 1 . ]" 1
286 1 45 PHE QD 1 46 PHE H . . 4.270 3.486 2.846 4.214 . 0 0 "[ . 1 . ]" 1
287 1 45 PHE QE 1 204 HIS QB . . 4.300 3.031 2.433 4.156 . 0 0 "[ . 1 . ]" 1
288 1 45 PHE QE 1 214 PRO HD3 . . 4.520 4.650 3.943 4.952 0.432 3 0 "[ . 1 . ]" 1
289 1 45 PHE QE 1 214 PRO QG . . 4.320 3.216 2.626 3.887 . 0 0 "[ . 1 . ]" 1
290 1 46 PHE H 1 46 PHE QB . . 3.620 2.388 2.339 2.424 . 0 0 "[ . 1 . ]" 1
291 1 46 PHE H 1 46 PHE HB2 . . 3.660 2.421 2.370 2.459 . 0 0 "[ . 1 . ]" 1
292 1 46 PHE H 1 46 PHE HB3 . . 3.660 3.644 3.595 3.692 0.032 16 0 "[ . 1 . ]" 1
293 1 46 PHE H 1 46 PHE QD . . 3.650 2.491 2.351 2.802 . 0 0 "[ . 1 . ]" 1
294 1 46 PHE H 1 47 GLY H . . 2.980 2.559 2.387 2.698 . 0 0 "[ . 1 . ]" 1
295 1 46 PHE H 1 48 LEU H . . 4.080 4.653 4.139 4.881 0.801 3 12 "[* +*-* * ****** ]" 1
296 1 46 PHE H 1 48 LEU HG . . 4.540 4.411 4.091 4.641 0.101 4 0 "[ . 1 . ]" 1
297 1 46 PHE H 1 214 PRO QG . . 4.450 4.497 4.317 4.754 0.304 4 0 "[ . 1 . ]" 1
298 1 46 PHE HA 1 46 PHE QD . . 4.250 2.978 2.427 3.206 . 0 0 "[ . 1 . ]" 1
299 1 46 PHE HA 1 48 LEU H . . 4.400 4.470 4.347 4.636 0.236 3 0 "[ . 1 . ]" 1
300 1 46 PHE HA 1 214 PRO QB . . 4.410 4.110 3.654 4.326 . 0 0 "[ . 1 . ]" 1
301 1 46 PHE QB 1 47 GLY H . . 4.240 2.797 2.475 3.221 . 0 0 "[ . 1 . ]" 1
302 1 46 PHE QB 1 48 LEU HG . . 4.280 2.676 2.474 3.053 . 0 0 "[ . 1 . ]" 1
303 1 46 PHE QB 1 61 ILE MD . . 4.560 3.447 2.835 5.024 0.464 10 0 "[ . 1 . ]" 1
304 1 46 PHE QB 1 61 ILE MG . . 4.710 4.081 2.954 5.118 0.408 8 0 "[ . 1 . ]" 1
305 1 46 PHE QD 1 61 ILE HB . . 4.310 3.737 3.019 4.250 . 0 0 "[ . 1 . ]" 1
306 1 46 PHE QD 1 61 ILE MD . . 4.410 2.696 2.197 3.879 . 0 0 "[ . 1 . ]" 1
307 1 46 PHE QD 1 214 PRO QG . . 4.660 2.390 2.236 2.631 . 0 0 "[ . 1 . ]" 1
308 1 46 PHE QE 1 61 ILE HA . . 4.510 4.711 4.321 5.223 0.713 12 3 "[ . *1 + - ]" 1
309 1 46 PHE QE 1 61 ILE HB . . 4.120 2.501 2.322 2.826 . 0 0 "[ . 1 . ]" 1
310 1 46 PHE QE 1 61 ILE QG . . 3.760 3.261 2.534 4.099 0.339 12 0 "[ . 1 . ]" 1
311 1 46 PHE QE 1 61 ILE HG12 . . 4.420 4.216 2.561 4.952 0.532 4 1 "[ +. 1 . ]" 1
312 1 46 PHE QE 1 61 ILE HG13 . . 4.420 3.621 2.566 4.669 0.249 12 0 "[ . 1 . ]" 1
313 1 46 PHE QE 1 215 THR MG . . 4.460 3.777 2.476 5.273 0.813 10 1 "[ . + . ]" 1
314 1 47 GLY H 1 48 LEU H . . 2.650 2.887 2.676 3.091 0.441 12 0 "[ . 1 . ]" 1
315 1 47 GLY H 1 48 LEU QB . . 5.160 4.848 4.537 5.082 . 0 0 "[ . 1 . ]" 1
316 1 47 GLY H 1 48 LEU HG . . 4.150 3.375 2.919 3.799 . 0 0 "[ . 1 . ]" 1
317 1 47 GLY QA 1 206 SER QB . . 1.800 2.222 2.157 2.356 0.556 4 1 "[ +. 1 . ]" 1
318 1 48 LEU H 1 48 LEU QB . . 3.370 2.441 2.380 2.490 . 0 0 "[ . 1 . ]" 1
319 1 48 LEU H 1 48 LEU HG . . 3.270 2.418 2.372 2.481 . 0 0 "[ . 1 . ]" 1
320 1 48 LEU QB 1 58 VAL HA . . 5.130 4.855 4.223 5.344 0.214 9 0 "[ . 1 . ]" 1
321 1 48 LEU QB 1 215 THR MG . . 5.060 3.971 3.476 4.423 . 0 0 "[ . 1 . ]" 1
322 1 48 LEU HG 1 215 THR MG . . 5.710 5.618 5.076 6.470 0.760 9 2 "[ . +1 .-]" 1
323 1 49 PRO HB2 1 50 ILE MG . . 4.280 4.400 3.909 4.942 0.662 10 1 "[ . + . ]" 1
324 1 49 PRO HG2 1 50 ILE H . . 2.830 2.381 2.237 2.560 . 0 0 "[ . 1 . ]" 1
325 1 49 PRO HG2 1 50 ILE HA . . 4.140 4.071 3.860 4.600 0.460 15 0 "[ . 1 . ]" 1
326 1 50 ILE H 1 50 ILE HB . . 3.480 3.696 3.646 3.750 0.270 16 0 "[ . 1 . ]" 1
327 1 50 ILE H 1 50 ILE MD . . 3.650 3.303 2.196 3.968 0.318 15 0 "[ . 1 . ]" 1
328 1 50 ILE H 1 50 ILE QG . . 2.890 2.215 2.123 2.341 . 0 0 "[ . 1 . ]" 1
329 1 50 ILE H 1 50 ILE HG12 . . 3.360 2.300 2.190 2.375 . 0 0 "[ . 1 . ]" 1
330 1 50 ILE H 1 50 ILE HG13 . . 3.360 3.158 2.474 3.768 0.408 1 0 "[ . 1 . ]" 1
331 1 50 ILE H 1 50 ILE MG . . 4.210 2.861 2.402 3.497 . 0 0 "[ . 1 . ]" 1
332 1 50 ILE H 1 51 THR H . . 4.510 4.547 4.308 4.759 0.249 13 0 "[ . 1 . ]" 1
333 1 50 ILE H 1 51 THR MG . . 5.210 4.720 4.132 5.627 0.417 9 0 "[ . 1 . ]" 1
334 1 50 ILE MD 1 57 ARG QB . . 3.650 2.866 2.145 4.615 0.965 14 1 "[ . 1 +. ]" 1
335 1 50 ILE MD 1 57 ARG HB2 . . 4.620 3.716 2.382 5.265 0.645 14 1 "[ . 1 +. ]" 1
336 1 50 ILE MD 1 57 ARG HB3 . . 4.620 3.148 2.313 5.104 0.484 14 0 "[ . 1 . ]" 1
337 1 50 ILE MG 1 51 THR H . . 4.360 3.960 3.660 4.145 . 0 0 "[ . 1 . ]" 1
338 1 50 ILE MG 1 53 MET QB . . 4.290 3.976 3.018 4.796 0.506 11 1 "[ . 1+ . ]" 1
339 1 51 THR H 1 51 THR HB . . 4.100 3.711 3.119 3.883 . 0 0 "[ . 1 . ]" 1
340 1 51 THR H 1 51 THR MG . . 3.580 2.802 2.266 3.234 . 0 0 "[ . 1 . ]" 1
341 1 51 THR HA 1 51 THR MG . . 3.610 2.457 2.306 3.278 . 0 0 "[ . 1 . ]" 1
342 1 51 THR MG 1 52 GLY H . . 4.240 3.688 3.427 3.907 . 0 0 "[ . 1 . ]" 1
343 1 52 GLY H 1 53 MET H . . 2.710 2.917 2.731 3.094 0.384 1 0 "[ . 1 . ]" 1
344 1 52 GLY H 1 53 MET QG . . 4.940 4.817 4.571 5.130 0.190 1 0 "[ . 1 . ]" 1
345 1 53 MET H 1 53 MET QB . . 3.610 2.618 2.386 2.762 . 0 0 "[ . 1 . ]" 1
346 1 53 MET H 1 53 MET HB2 . . 4.140 2.668 2.418 2.825 . 0 0 "[ . 1 . ]" 1
347 1 53 MET H 1 53 MET HB3 . . 4.140 3.810 3.668 3.893 . 0 0 "[ . 1 . ]" 1
348 1 53 MET H 1 53 MET QG . . 3.690 3.175 2.878 3.401 . 0 0 "[ . 1 . ]" 1
349 1 53 MET H 1 53 MET HG2 . . 4.270 3.971 3.120 4.484 0.214 16 0 "[ . 1 . ]" 1
350 1 53 MET H 1 53 MET HG3 . . 4.270 3.543 2.994 4.573 0.303 8 0 "[ . 1 . ]" 1
351 1 54 LEU H 1 55 ASN H . . 4.120 4.035 3.087 4.399 0.279 13 0 "[ . 1 . ]" 1
352 1 55 ASN H 1 58 VAL H . . 3.510 3.292 2.903 3.558 0.048 15 0 "[ . 1 . ]" 1
353 1 55 ASN H 1 58 VAL HB . . 4.080 2.504 2.347 2.675 . 0 0 "[ . 1 . ]" 1
354 1 55 ASN H 1 59 ILE H . . 3.710 2.558 2.296 2.957 . 0 0 "[ . 1 . ]" 1
355 1 56 SER H 1 58 VAL H . . 4.820 3.386 2.924 3.703 . 0 0 "[ . 1 . ]" 1
356 1 56 SER H 1 58 VAL HB . . 4.290 4.262 3.941 4.600 0.310 10 0 "[ . 1 . ]" 1
357 1 56 SER QB 1 58 VAL H . . 4.510 4.007 3.602 4.378 . 0 0 "[ . 1 . ]" 1
358 1 56 SER HB2 1 57 ARG H . . 5.310 2.852 2.282 3.726 . 0 0 "[ . 1 . ]" 1
359 1 56 SER HB2 1 58 VAL H . . 5.230 4.710 3.734 5.566 0.336 8 0 "[ . 1 . ]" 1
360 1 56 SER HB3 1 57 ARG H . . 5.310 2.654 2.306 3.601 . 0 0 "[ . 1 . ]" 1
361 1 56 SER HB3 1 58 VAL H . . 5.230 4.661 3.820 5.381 0.151 16 0 "[ . 1 . ]" 1
362 1 57 ARG H 1 57 ARG QG . . 4.330 3.671 2.364 4.177 . 0 0 "[ . 1 . ]" 1
363 1 57 ARG H 1 57 ARG HG2 . . 5.070 4.098 2.393 4.840 . 0 0 "[ . 1 . ]" 1
364 1 57 ARG H 1 57 ARG HG3 . . 5.070 4.289 2.751 4.579 . 0 0 "[ . 1 . ]" 1
365 1 57 ARG H 1 58 VAL H . . 3.070 2.651 2.485 2.855 . 0 0 "[ . 1 . ]" 1
366 1 57 ARG H 1 59 ILE H . . 4.280 4.676 4.381 5.096 0.816 9 5 "[- * . +* * ]" 1
367 1 57 ARG HA 1 57 ARG QD . . 3.860 2.935 2.245 4.227 0.367 9 0 "[ . 1 . ]" 1
368 1 57 ARG HA 1 57 ARG QG . . 3.630 2.886 2.336 3.555 . 0 0 "[ . 1 . ]" 1
369 1 57 ARG QB 1 58 VAL H . . 3.950 2.919 2.557 3.937 . 0 0 "[ . 1 . ]" 1
370 1 57 ARG HB2 1 58 VAL H . . 4.590 3.910 2.931 4.367 . 0 0 "[ . 1 . ]" 1
371 1 57 ARG HB3 1 58 VAL H . . 4.590 3.169 2.594 4.517 . 0 0 "[ . 1 . ]" 1
372 1 57 ARG QD 1 58 VAL H . . 5.050 4.938 3.719 5.422 0.372 5 0 "[ . 1 . ]" 1
373 1 57 ARG QG 1 58 VAL H . . 3.940 3.838 2.659 4.352 0.412 1 0 "[ . 1 . ]" 1
374 1 57 ARG QG 1 215 THR MG . . 4.430 3.593 2.513 4.648 0.218 9 0 "[ . 1 . ]" 1
375 1 57 ARG HG2 1 58 VAL H . . 4.790 4.482 2.815 5.119 0.329 12 0 "[ . 1 . ]" 1
376 1 57 ARG HG3 1 58 VAL H . . 4.790 4.417 2.697 5.297 0.507 10 1 "[ . + . ]" 1
377 1 58 VAL H 1 58 VAL HB . . 3.450 2.662 2.433 2.811 . 0 0 "[ . 1 . ]" 1
378 1 58 VAL H 1 59 ILE H . . 3.000 2.824 2.642 2.982 . 0 0 "[ . 1 . ]" 1
379 1 58 VAL H 1 60 GLU H . . 3.910 4.078 3.745 4.296 0.386 4 0 "[ . 1 . ]" 1
380 1 58 VAL HA 1 61 ILE HB . . 5.500 5.002 3.778 5.721 0.221 7 0 "[ . 1 . ]" 1
381 1 58 VAL HA 1 61 ILE QG . . 4.520 3.361 2.181 3.960 . 0 0 "[ . 1 . ]" 1
382 1 58 VAL HB 1 59 ILE H . . 3.920 2.596 2.451 2.810 . 0 0 "[ . 1 . ]" 1
383 1 59 ILE H 1 59 ILE HB . . 3.800 2.397 2.304 2.528 . 0 0 "[ . 1 . ]" 1
384 1 59 ILE H 1 59 ILE MD . . 4.030 4.137 3.560 4.487 0.457 6 0 "[ . 1 . ]" 1
385 1 59 ILE H 1 59 ILE QG . . 4.160 3.259 2.398 4.019 . 0 0 "[ . 1 . ]" 1
386 1 59 ILE H 1 59 ILE MG . . 4.520 3.245 2.545 3.858 . 0 0 "[ . 1 . ]" 1
387 1 59 ILE H 1 60 GLU H . . 2.970 2.668 2.440 2.859 . 0 0 "[ . 1 . ]" 1
388 1 59 ILE HA 1 59 ILE MD . . 4.210 2.432 2.213 3.816 . 0 0 "[ . 1 . ]" 1
389 1 59 ILE HA 1 60 GLU HA . . 4.970 4.882 4.807 4.968 . 0 0 "[ . 1 . ]" 1
390 1 59 ILE HA 1 62 MET ME . . 3.980 4.044 3.363 4.741 0.761 12 1 "[ . 1 + . ]" 1
391 1 59 ILE HB 1 60 GLU H . . 3.590 3.318 2.700 3.989 0.399 7 0 "[ . 1 . ]" 1
392 1 59 ILE MD 1 62 MET ME . . 4.330 4.097 3.629 4.754 0.424 7 0 "[ . 1 . ]" 1
393 1 59 ILE MD 1 63 GLN QG . . 5.840 4.591 3.143 5.840 . 0 0 "[ . 1 . ]" 1
394 1 59 ILE MG 1 63 GLN H . . 5.030 3.988 3.136 4.925 . 0 0 "[ . 1 . ]" 1
395 1 59 ILE MG 1 63 GLN QE . . 4.690 3.353 2.359 4.367 . 0 0 "[ . 1 . ]" 1
396 1 59 ILE MG 1 63 GLN QG . . 4.550 3.517 2.737 4.267 . 0 0 "[ . 1 . ]" 1
397 1 60 GLU H 1 61 ILE H . . 3.030 2.945 2.751 3.136 0.106 1 0 "[ . 1 . ]" 1
398 1 60 GLU H 1 62 MET QG . . 4.670 5.262 5.053 5.474 0.804 2 11 "[*+* * * *-* ***]" 1
399 1 60 GLU HA 1 63 GLN H . . 4.630 3.865 3.653 4.080 . 0 0 "[ . 1 . ]" 1
400 1 60 GLU HA 1 64 LYS QE . . 4.710 3.843 2.645 5.126 0.416 7 0 "[ . 1 . ]" 1
401 1 60 GLU HA 1 64 LYS HE2 . . 5.500 4.207 2.722 6.202 0.702 7 1 "[ . + 1 . ]" 1
402 1 60 GLU HA 1 64 LYS HE3 . . 5.500 4.840 3.365 5.837 0.337 6 0 "[ . 1 . ]" 1
403 1 61 ILE H 1 61 ILE HB . . 3.900 3.478 2.425 3.771 . 0 0 "[ . 1 . ]" 1
404 1 61 ILE H 1 61 ILE MD . . 4.340 3.625 3.211 3.939 . 0 0 "[ . 1 . ]" 1
405 1 61 ILE H 1 61 ILE QG . . 3.380 2.580 2.171 3.045 . 0 0 "[ . 1 . ]" 1
406 1 61 ILE H 1 61 ILE MG . . 4.640 2.519 2.116 3.853 . 0 0 "[ . 1 . ]" 1
407 1 61 ILE H 1 62 MET H . . 2.950 2.704 2.427 3.150 0.200 5 0 "[ . 1 . ]" 1
408 1 61 ILE H 1 63 GLN QG . . 4.560 4.681 4.456 4.880 0.320 5 0 "[ . 1 . ]" 1
409 1 61 ILE HA 1 63 GLN H . . 4.180 4.708 4.288 5.082 0.902 13 9 "[ ** ** -**+*. ]" 1
410 1 61 ILE HA 1 64 LYS H . . 4.130 3.248 2.841 3.654 . 0 0 "[ . 1 . ]" 1
411 1 61 ILE HA 1 64 LYS QE . . 4.570 3.411 2.223 5.011 0.441 10 0 "[ . 1 . ]" 1
412 1 61 ILE HA 1 64 LYS HE2 . . 5.280 4.462 2.715 5.678 0.398 14 0 "[ . 1 . ]" 1
413 1 61 ILE HA 1 64 LYS HE3 . . 5.280 3.655 2.356 5.878 0.598 10 1 "[ . + . ]" 1
414 1 61 ILE HA 1 64 LYS QG . . 4.570 4.104 2.585 4.649 0.079 14 0 "[ . 1 . ]" 1
415 1 61 ILE HB 1 62 MET H . . 4.320 3.975 2.780 4.364 0.044 3 0 "[ . 1 . ]" 1
416 1 61 ILE HB 1 215 THR MG . . 4.330 3.621 2.532 4.764 0.434 9 0 "[ . 1 . ]" 1
417 1 61 ILE MD 1 215 THR MG . . 4.990 3.387 2.024 5.436 0.446 10 0 "[ . 1 . ]" 1
418 1 61 ILE MD 1 61 ILE MG . . 3.650 2.266 2.012 3.333 . 0 0 "[ . 1 . ]" 1
419 1 61 ILE MG 1 62 MET H . . 4.710 3.979 3.655 4.315 . 0 0 "[ . 1 . ]" 1
420 1 61 ILE MG 1 62 MET HA . . 5.500 5.067 3.300 5.635 0.135 4 0 "[ . 1 . ]" 1
421 1 61 ILE MG 1 62 MET QG . . 5.840 4.693 3.986 5.394 . 0 0 "[ . 1 . ]" 1
422 1 61 ILE MG 1 215 THR MG . . 4.700 2.295 1.980 3.714 . 0 0 "[ . 1 . ]" 1
423 1 62 MET H 1 62 MET QB . . 3.410 2.565 2.491 2.748 . 0 0 "[ . 1 . ]" 1
424 1 62 MET H 1 62 MET QG . . 3.710 2.327 2.212 2.430 . 0 0 "[ . 1 . ]" 1
425 1 62 MET H 1 62 MET HG2 . . 4.400 2.610 2.229 3.573 . 0 0 "[ . 1 . ]" 1
426 1 62 MET H 1 62 MET HG3 . . 4.400 3.277 2.401 3.752 . 0 0 "[ . 1 . ]" 1
427 1 62 MET H 1 63 GLN H . . 3.020 2.706 2.592 2.838 . 0 0 "[ . 1 . ]" 1
428 1 62 MET H 1 64 LYS H . . 3.790 3.928 3.692 4.203 0.413 1 0 "[ . 1 . ]" 1
429 1 62 MET HA 1 62 MET QG . . 3.720 2.807 2.377 3.180 . 0 0 "[ . 1 . ]" 1
430 1 62 MET QB 1 63 GLN H . . 4.250 2.423 2.271 2.522 . 0 0 "[ . 1 . ]" 1
431 1 63 GLN H 1 63 GLN QB . . 3.490 2.607 2.483 2.765 . 0 0 "[ . 1 . ]" 1
432 1 63 GLN H 1 63 GLN QG . . 3.400 2.294 2.227 2.364 . 0 0 "[ . 1 . ]" 1
433 1 63 GLN H 1 63 GLN HG2 . . 3.920 2.333 2.295 2.395 . 0 0 "[ . 1 . ]" 1
434 1 63 GLN H 1 63 GLN HG3 . . 3.920 3.419 3.009 3.655 . 0 0 "[ . 1 . ]" 1
435 1 63 GLN HA 1 63 GLN QG . . 3.450 3.419 3.390 3.447 . 0 0 "[ . 1 . ]" 1
436 1 63 GLN HA 1 63 GLN HG2 . . 4.110 3.856 3.786 3.932 . 0 0 "[ . 1 . ]" 1
437 1 63 GLN HA 1 63 GLN HG3 . . 4.110 3.820 3.788 3.840 . 0 0 "[ . 1 . ]" 1
438 1 63 GLN QB 1 64 LYS H . . 3.610 3.682 3.624 3.815 0.205 4 0 "[ . 1 . ]" 1
439 1 63 GLN QG 1 64 LYS H . . 3.280 2.415 2.315 2.673 . 0 0 "[ . 1 . ]" 1
440 1 63 GLN HG2 1 64 LYS H . . 3.950 2.924 2.529 3.555 . 0 0 "[ . 1 . ]" 1
441 1 63 GLN HG3 1 64 LYS H . . 3.950 2.612 2.482 2.833 . 0 0 "[ . 1 . ]" 1
442 1 64 LYS H 1 64 LYS QG . . 4.180 3.197 2.410 4.082 . 0 0 "[ . 1 . ]" 1
443 1 65 PRO QB 1 156 LEU HB2 . . 3.560 2.395 2.196 2.943 . 0 0 "[ . 1 . ]" 1
444 1 22 PHE HZ 1 66 ARG H . . 5.220 5.190 4.602 5.892 0.672 9 2 "[ - . +1 . ]" 1
445 1 66 ARG H 1 66 ARG HE . . 4.800 4.432 3.779 5.199 0.399 7 0 "[ . 1 . ]" 1
446 1 66 ARG H 1 155 THR HA . . 4.290 4.517 3.940 4.967 0.677 3 3 "[- + . 1* . ]" 1
447 1 66 ARG H 1 156 LEU H . . 3.970 3.576 3.096 4.036 0.066 16 0 "[ . 1 . ]" 1
448 1 66 ARG H 1 156 LEU QB . . 4.780 2.444 2.238 2.919 . 0 0 "[ . 1 . ]" 1
449 1 66 ARG H 1 156 LEU HB2 . . 4.610 2.555 2.340 3.052 . 0 0 "[ . 1 . ]" 1
450 1 22 PHE HZ 1 66 ARG HE . . 5.230 3.939 2.635 5.564 0.334 13 0 "[ . 1 . ]" 1
451 1 66 ARG HE 1 67 CYS H . . 4.400 2.696 2.236 4.281 . 0 0 "[ . 1 . ]" 1
452 1 67 CYS H 1 67 CYS QB . . 3.430 2.923 2.231 3.386 . 0 0 "[ . 1 . ]" 1
453 1 67 CYS H 1 67 CYS HB2 . . 3.990 3.489 2.263 4.111 0.121 5 0 "[ . 1 . ]" 1
454 1 67 CYS H 1 67 CYS HB3 . . 3.990 3.287 2.439 3.660 . 0 0 "[ . 1 . ]" 1
455 1 67 CYS HA 1 69 VAL H . . 4.110 4.427 4.217 4.592 0.482 13 0 "[ . 1 . ]" 1
456 1 67 CYS QB 1 68 GLY H . . 4.220 2.885 2.465 3.531 . 0 0 "[ . 1 . ]" 1
457 1 67 CYS QB 1 69 VAL H . . 4.330 2.979 2.455 3.412 . 0 0 "[ . 1 . ]" 1
458 1 67 CYS QB 1 204 HIS HE1 . . 4.550 3.360 2.697 4.497 . 0 0 "[ . 1 . ]" 1
459 1 67 CYS HB2 1 68 GLY H . . 4.910 3.487 2.492 4.284 . 0 0 "[ . 1 . ]" 1
460 1 67 CYS HB2 1 69 VAL H . . 5.060 3.965 3.173 4.659 . 0 0 "[ . 1 . ]" 1
461 1 67 CYS HB2 1 204 HIS HE1 . . 5.320 3.866 2.835 5.394 0.074 4 0 "[ . 1 . ]" 1
462 1 67 CYS HB3 1 68 GLY H . . 4.910 3.569 2.977 4.018 . 0 0 "[ . 1 . ]" 1
463 1 67 CYS HB3 1 69 VAL H . . 5.060 3.650 2.471 4.851 . 0 0 "[ . 1 . ]" 1
464 1 67 CYS HB3 1 204 HIS HE1 . . 5.320 3.833 3.126 4.919 . 0 0 "[ . 1 . ]" 1
465 1 68 GLY H 1 69 VAL H . . 3.050 2.684 2.530 2.951 . 0 0 "[ . 1 . ]" 1
466 1 68 GLY H 1 155 THR HA . . 4.950 4.961 4.801 5.228 0.278 12 0 "[ . 1 . ]" 1
467 1 68 GLY H 1 155 THR MG . . 4.430 4.363 4.153 4.660 0.230 10 0 "[ . 1 . ]" 1
468 1 68 GLY H 1 156 LEU H . . 4.250 3.750 3.528 3.997 . 0 0 "[ . 1 . ]" 1
469 1 68 GLY H 1 156 LEU QB . . 5.340 4.036 3.828 4.189 . 0 0 "[ . 1 . ]" 1
470 1 68 GLY H 1 157 ALA H . . 3.430 2.430 2.335 2.519 . 0 0 "[ . 1 . ]" 1
471 1 68 GLY H 1 158 HIS HB3 . . 4.680 5.002 4.316 5.309 0.629 16 3 "[- . *1 .+]" 1
472 1 68 GLY H 1 159 ALA H . . 4.700 4.943 4.014 5.445 0.745 16 2 "[ .- 1 .+]" 1
473 1 68 GLY H 1 198 HIS HD2 . . 5.190 5.283 4.998 5.572 0.382 16 0 "[ . 1 . ]" 1
474 1 68 GLY QA 1 155 THR MG . . 3.880 2.132 2.048 2.267 . 0 0 "[ . 1 . ]" 1
475 1 68 GLY HA2 1 155 THR MG . . 4.550 2.409 2.266 2.545 . 0 0 "[ . 1 . ]" 1
476 1 68 GLY HA3 1 155 THR MG . . 4.480 2.398 2.279 2.844 . 0 0 "[ . 1 . ]" 1
477 1 68 GLY HA3 1 157 ALA H . . 3.810 2.917 2.767 3.159 . 0 0 "[ . 1 . ]" 1
478 1 69 VAL H 1 69 VAL HB . . 3.480 2.894 2.503 3.512 0.032 12 0 "[ . 1 . ]" 1
479 1 69 VAL H 1 159 ALA H . . 4.450 5.095 4.784 5.281 0.831 16 13 "[*** ***-*1* ***+]" 1
480 1 69 VAL HA 1 70 PRO QD . . 3.520 2.193 2.173 2.215 . 0 0 "[ . 1 . ]" 1
481 1 69 VAL HA 1 70 PRO QG . . 3.840 4.126 4.102 4.153 0.313 10 0 "[ . 1 . ]" 1
482 1 69 VAL HB 1 70 PRO QD . . 4.310 3.823 2.813 4.040 . 0 0 "[ . 1 . ]" 1
483 1 70 PRO QB 1 71 ASP H . . 3.900 2.815 2.463 3.241 . 0 0 "[ . 1 . ]" 1
484 1 70 PRO QB 1 72 VAL H . . 3.960 2.777 2.474 3.165 . 0 0 "[ . 1 . ]" 1
485 1 70 PRO QD 1 147 TYR QD . . 4.600 4.068 3.380 4.857 0.257 8 0 "[ . 1 . ]" 1
486 1 71 ASP H 1 72 VAL H . . 2.720 2.791 2.489 3.013 0.293 1 0 "[ . 1 . ]" 1
487 1 72 VAL H 1 72 VAL HB . . 3.930 3.854 3.678 3.978 0.048 3 0 "[ . 1 . ]" 1
488 1 72 VAL H 1 73 ALA H . . 4.220 4.446 4.317 4.613 0.393 5 0 "[ . 1 . ]" 1
489 1 72 VAL H 1 73 ALA MB . . 4.850 4.320 4.029 4.758 . 0 0 "[ . 1 . ]" 1
490 1 72 VAL HA 1 73 ALA H . . 3.480 2.435 2.395 2.513 . 0 0 "[ . 1 . ]" 1
491 1 72 VAL HB 1 73 ALA H . . 3.890 2.699 2.460 3.070 . 0 0 "[ . 1 . ]" 1
492 1 73 ALA H 1 74 GLU H . . 4.320 4.455 4.412 4.497 0.177 14 0 "[ . 1 . ]" 1
493 1 73 ALA HA 1 74 GLU H . . 3.470 2.509 2.440 2.598 . 0 0 "[ . 1 . ]" 1
494 1 73 ALA HA 1 74 GLU QB . . 3.650 3.657 3.458 3.881 0.231 9 0 "[ . 1 . ]" 1
495 1 73 ALA HA 1 74 GLU HB2 . . 4.230 3.740 3.531 3.978 . 0 0 "[ . 1 . ]" 1
496 1 73 ALA MB 1 74 GLU H . . 4.230 2.512 2.408 2.637 . 0 0 "[ . 1 . ]" 1
497 1 74 GLU H 1 74 GLU QB . . 3.500 2.793 2.697 2.904 . 0 0 "[ . 1 . ]" 1
498 1 74 GLU H 1 74 GLU QG . . 3.990 4.166 4.089 4.244 0.254 11 0 "[ . 1 . ]" 1
499 1 74 GLU H 1 75 TYR H . . 4.360 4.252 3.157 4.482 0.122 5 0 "[ . 1 . ]" 1
500 1 75 TYR H 1 75 TYR QB . . 3.270 2.996 2.277 3.374 0.104 7 0 "[ . 1 . ]" 1
501 1 75 TYR H 1 75 TYR QD . . 4.320 3.232 2.536 4.064 . 0 0 "[ . 1 . ]" 1
502 1 75 TYR HA 1 75 TYR QD . . 3.750 2.887 2.578 3.775 0.025 9 0 "[ . 1 . ]" 1
503 1 76 SER QB 1 78 PHE H . . 4.320 4.036 2.513 4.897 0.577 11 1 "[ . 1+ . ]" 1
504 1 77 LEU H 1 78 PHE H . . 4.370 3.231 2.480 4.260 . 0 0 "[ . 1 . ]" 1
505 1 77 LEU HA 1 77 LEU HG . . 3.850 3.019 2.394 3.781 . 0 0 "[ . 1 . ]" 1
506 1 78 PHE H 1 78 PHE QB . . 3.580 2.537 2.246 3.474 . 0 0 "[ . 1 . ]" 1
507 1 78 PHE H 1 78 PHE QD . . 3.200 2.990 2.343 3.709 0.509 9 1 "[ . +1 . ]" 1
508 1 78 PHE H 1 79 PRO QD . . 4.790 3.833 2.339 4.522 . 0 0 "[ . 1 . ]" 1
509 1 78 PHE H 1 79 PRO HD2 . . 5.500 4.315 2.377 5.006 . 0 0 "[ . 1 . ]" 1
510 1 78 PHE H 1 79 PRO HD3 . . 5.500 4.400 2.546 5.248 . 0 0 "[ . 1 . ]" 1
511 1 78 PHE QB 1 79 PRO HD2 . . 4.020 2.969 2.288 4.190 0.170 8 0 "[ . 1 . ]" 1
512 1 79 PRO HD2 1 163 GLY QA . . 4.050 4.145 3.694 4.534 0.484 5 0 "[ . 1 . ]" 1
513 1 79 PRO HD3 1 163 GLY QA . . 3.530 3.264 2.497 3.837 0.307 13 0 "[ . 1 . ]" 1
514 1 79 PRO QG 1 161 ALA MB . . 4.330 4.257 4.073 4.641 0.311 2 0 "[ . 1 . ]" 1
515 1 79 PRO QG 1 163 GLY QA . . 1.800 2.282 2.109 2.575 0.775 15 6 "[** * - * + ]" 1
516 1 79 PRO HG2 1 161 ALA MB . . 4.960 5.206 4.859 5.439 0.479 4 0 "[ . 1 . ]" 1
517 1 79 PRO HG3 1 161 ALA MB . . 4.960 4.550 4.238 5.258 0.298 13 0 "[ . 1 . ]" 1
518 1 81 SER QB 1 83 LYS H . . 4.860 2.890 2.302 4.139 . 0 0 "[ . 1 . ]" 1
519 1 82 PRO QB 1 83 LYS H . . 3.970 3.597 3.312 4.038 0.068 8 0 "[ . 1 . ]" 1
520 1 82 PRO HD2 1 83 LYS QG . . 3.970 3.869 2.971 4.277 0.307 11 0 "[ . 1 . ]" 1
521 1 83 LYS H 1 83 LYS QB . . 3.600 2.646 2.478 2.860 . 0 0 "[ . 1 . ]" 1
522 1 83 LYS H 1 83 LYS QE . . 4.830 5.140 4.791 5.379 0.549 6 1 "[ .+ 1 . ]" 1
523 1 83 LYS H 1 83 LYS QG . . 3.470 2.454 2.270 2.665 . 0 0 "[ . 1 . ]" 1
524 1 83 LYS QB 1 84 TRP H . . 3.920 2.511 2.322 2.882 . 0 0 "[ . 1 . ]" 1
525 1 83 LYS HB2 1 84 TRP H . . 3.890 3.474 2.914 3.973 0.083 14 0 "[ . 1 . ]" 1
526 1 83 LYS HB3 1 84 TRP H . . 3.890 2.581 2.439 2.958 . 0 0 "[ . 1 . ]" 1
527 1 83 LYS QD 1 202 MET HA . . 4.320 4.162 3.806 4.746 0.426 14 0 "[ . 1 . ]" 1
528 1 83 LYS QD 1 202 MET ME . . 5.040 4.688 4.281 5.111 0.071 8 0 "[ . 1 . ]" 1
529 1 83 LYS QD 1 234 ILE MD . . 5.470 3.544 2.449 4.752 . 0 0 "[ . 1 . ]" 1
530 1 83 LYS QD 1 234 ILE HG13 . . 4.040 2.955 2.224 4.401 0.361 8 0 "[ . 1 . ]" 1
531 1 83 LYS QD 1 237 LEU HG . . 3.740 4.457 3.108 4.792 1.052 15 15 "[********** **-+*]" 1
532 1 83 LYS QD 1 238 TYR QD . . 4.010 3.649 3.094 4.760 0.750 8 3 "[ . + 1 - * ]" 1
533 1 83 LYS QE 1 202 MET ME . . 3.940 3.746 3.278 4.073 0.133 5 0 "[ . 1 . ]" 1
534 1 83 LYS QE 1 234 ILE MD . . 4.880 3.134 2.338 4.299 . 0 0 "[ . 1 . ]" 1
535 1 83 LYS QE 1 238 TYR QD . . 3.970 4.050 2.729 4.647 0.677 10 4 "[ . * +* .-]" 1
536 1 83 LYS QG 1 84 TRP H . . 4.580 4.272 4.156 4.499 . 0 0 "[ . 1 . ]" 1
537 1 84 TRP H 1 84 TRP QB . . 3.350 2.462 2.377 2.519 . 0 0 "[ . 1 . ]" 1
538 1 84 TRP H 1 84 TRP HB2 . . 3.960 2.501 2.410 2.566 . 0 0 "[ . 1 . ]" 1
539 1 84 TRP H 1 84 TRP HB3 . . 3.960 3.681 3.621 3.712 . 0 0 "[ . 1 . ]" 1
540 1 84 TRP H 1 84 TRP HD1 . . 3.420 3.060 2.558 3.410 . 0 0 "[ . 1 . ]" 1
541 1 84 TRP H 1 200 LEU HB3 . . 4.800 3.695 3.461 4.006 . 0 0 "[ . 1 . ]" 1
542 1 84 TRP H 1 234 ILE MD . . 4.900 5.064 4.609 5.556 0.656 13 1 "[ . 1 + . ]" 1
543 1 84 TRP HA 1 86 SER H . . 3.990 3.438 3.171 3.741 . 0 0 "[ . 1 . ]" 1
544 1 84 TRP QB 1 86 SER H . . 3.570 2.820 2.465 3.499 . 0 0 "[ . 1 . ]" 1
545 1 84 TRP QB 1 122 LEU HG . . 4.560 4.550 4.451 4.640 0.080 10 0 "[ . 1 . ]" 1
546 1 84 TRP HB3 1 86 SER H . . 4.120 2.857 2.486 3.582 . 0 0 "[ . 1 . ]" 1
547 1 84 TRP HE1 1 134 ILE MD . . 4.030 2.779 2.331 3.903 . 0 0 "[ . 1 . ]" 1
548 1 84 TRP HE1 1 199 SER HA . . 4.160 4.351 3.913 4.650 0.490 12 0 "[ . 1 . ]" 1
549 1 84 TRP HE1 1 200 LEU H . . 4.280 4.765 4.385 5.213 0.933 8 7 "[ * .**+ 1**- . ]" 1
550 1 84 TRP HZ2 1 134 ILE MD . . 4.830 2.718 2.097 3.752 . 0 0 "[ . 1 . ]" 1
551 1 84 TRP HZ2 1 168 GLY HA2 . . 4.090 3.932 3.186 4.884 0.794 11 4 "[ *. *+ - ]" 1
552 1 85 THR H 1 86 SER H . . 4.430 2.517 2.331 2.696 . 0 0 "[ . 1 . ]" 1
553 1 85 THR HA 1 85 THR MG . . 3.740 2.884 2.235 3.322 . 0 0 "[ . 1 . ]" 1
554 1 85 THR HA 1 86 SER H . . 3.470 3.440 3.175 3.632 0.162 13 0 "[ . 1 . ]" 1
555 1 85 THR MG 1 86 SER H . . 4.980 3.676 2.407 4.575 . 0 0 "[ . 1 . ]" 1
556 1 86 SER H 1 86 SER HB2 . . 3.450 2.669 2.499 3.669 0.219 14 0 "[ . 1 . ]" 1
557 1 86 SER H 1 86 SER HB3 . . 3.450 3.563 2.596 3.654 0.204 3 0 "[ . 1 . ]" 1
558 1 86 SER HB2 1 88 VAL H . . 3.480 3.202 2.884 3.506 0.026 6 0 "[ . 1 . ]" 1
559 1 86 SER HB3 1 88 VAL H . . 3.480 2.807 2.501 4.352 0.872 14 1 "[ . 1 +. ]" 1
560 1 87 LYS H 1 88 VAL H . . 3.620 2.656 2.541 2.743 . 0 0 "[ . 1 . ]" 1
561 1 88 VAL H 1 88 VAL HB . . 3.010 3.029 2.706 3.207 0.197 10 0 "[ . 1 . ]" 1
562 1 88 VAL H 1 89 VAL H . . 4.200 4.481 4.410 4.547 0.347 7 0 "[ . 1 . ]" 1
563 1 88 VAL H 1 123 HIS QB . . 4.580 5.070 4.875 5.443 0.863 14 6 "[- ** * 1* +. ]" 1
564 1 88 VAL HA 1 123 HIS QB . . 4.660 2.963 2.701 3.401 . 0 0 "[ . 1 . ]" 1
565 1 88 VAL HB 1 89 VAL H . . 5.500 4.171 4.052 4.249 . 0 0 "[ . 1 . ]" 1
566 1 89 VAL H 1 89 VAL HB . . 3.440 2.609 2.495 2.765 . 0 0 "[ . 1 . ]" 1
567 1 89 VAL H 1 90 THR H . . 4.590 4.498 4.451 4.536 . 0 0 "[ . 1 . ]" 1
568 1 89 VAL H 1 123 HIS QB . . 4.340 4.522 4.260 5.028 0.688 4 1 "[ +. 1 . ]" 1
569 1 89 VAL H 1 123 HIS HD2 . . 4.580 5.011 4.442 5.297 0.717 13 7 "[ *-. * +***]" 1
570 1 89 VAL H 1 124 PHE HA . . 4.030 2.534 2.412 2.685 . 0 0 "[ . 1 . ]" 1
571 1 89 VAL H 1 124 PHE QD . . 4.250 3.630 2.559 4.682 0.432 15 0 "[ . 1 . ]" 1
572 1 89 VAL H 1 124 PHE QE . . 5.500 4.752 4.068 5.444 . 0 0 "[ . 1 . ]" 1
573 1 89 VAL HA 1 90 THR H . . 3.330 2.383 2.358 2.407 . 0 0 "[ . 1 . ]" 1
574 1 89 VAL HB 1 124 PHE HA . . 4.600 3.794 3.237 4.165 . 0 0 "[ . 1 . ]" 1
575 1 89 VAL HB 1 124 PHE QD . . 3.810 3.081 2.319 4.268 0.458 15 0 "[ . 1 . ]" 1
576 1 89 VAL HB 1 124 PHE QE . . 4.130 3.223 2.507 4.441 0.311 15 0 "[ . 1 . ]" 1
577 1 90 THR H 1 90 THR MG . . 3.690 3.058 2.447 3.725 0.035 1 0 "[ . 1 . ]" 1
578 1 90 THR H 1 91 TYR H . . 5.010 4.517 4.493 4.556 . 0 0 "[ . 1 . ]" 1
579 1 90 THR H 1 125 ARG H . . 4.890 5.249 5.049 5.441 0.551 1 3 "[+ . -1 * ]" 1
580 1 90 THR H 1 133 ASP H . . 3.400 3.217 2.928 3.413 0.013 1 0 "[ . 1 . ]" 1
581 1 90 THR H 1 133 ASP QB . . 3.670 2.594 2.397 2.850 . 0 0 "[ . 1 . ]" 1
582 1 90 THR H 1 134 ILE H . . 4.000 3.780 3.562 4.088 0.088 10 0 "[ . 1 . ]" 1
583 1 90 THR H 1 134 ILE MD . . 4.680 3.979 2.918 4.735 0.055 3 0 "[ . 1 . ]" 1
584 1 90 THR HA 1 91 TYR H . . 3.260 2.461 2.404 2.573 . 0 0 "[ . 1 . ]" 1
585 1 90 THR HA 1 125 ARG H . . 3.570 3.132 2.886 3.333 . 0 0 "[ . 1 . ]" 1
586 1 90 THR HB 1 91 TYR H . . 3.620 2.719 2.514 3.052 . 0 0 "[ . 1 . ]" 1
587 1 90 THR HB 1 132 ALA MB . . 4.350 2.749 2.309 3.786 . 0 0 "[ . 1 . ]" 1
588 1 90 THR HB 1 133 ASP H . . 4.040 3.662 2.766 4.806 0.766 10 2 "[ . - + . ]" 1
589 1 90 THR MG 1 91 TYR H . . 4.200 3.798 3.149 4.371 0.171 10 0 "[ . 1 . ]" 1
590 1 90 THR MG 1 125 ARG H . . 4.590 3.350 2.750 3.626 . 0 0 "[ . 1 . ]" 1
591 1 90 THR MG 1 125 ARG QB . . 4.130 2.117 2.057 2.180 . 0 0 "[ . 1 . ]" 1
592 1 90 THR MG 1 133 ASP H . . 4.740 4.020 3.690 4.271 . 0 0 "[ . 1 . ]" 1
593 1 91 TYR H 1 91 TYR HB2 . . 4.170 3.915 3.841 3.978 . 0 0 "[ . 1 . ]" 1
594 1 91 TYR H 1 91 TYR HB3 . . 3.940 3.322 3.226 3.419 . 0 0 "[ . 1 . ]" 1
595 1 91 TYR H 1 91 TYR QD . . 3.400 2.611 2.461 2.831 . 0 0 "[ . 1 . ]" 1
596 1 91 TYR H 1 91 TYR QE . . 4.240 4.045 3.829 4.143 . 0 0 "[ . 1 . ]" 1
597 1 91 TYR H 1 126 LYS HA . . 4.560 4.754 4.306 5.095 0.535 8 2 "[ . -+ 1 . ]" 1
598 1 91 TYR H 1 132 ALA MB . . 3.700 3.000 2.814 3.247 . 0 0 "[ . 1 . ]" 1
599 1 91 TYR HA 1 92 ARG H . . 3.390 2.346 2.314 2.385 . 0 0 "[ . 1 . ]" 1
600 1 91 TYR HA 1 132 ALA MB . . 4.310 2.585 2.411 2.790 . 0 0 "[ . 1 . ]" 1
601 1 91 TYR HA 1 134 ILE H . . 4.000 2.598 2.361 2.935 . 0 0 "[ . 1 . ]" 1
602 1 91 TYR HA 1 134 ILE MG . . 3.920 4.055 3.708 4.448 0.528 13 1 "[ . 1 + . ]" 1
603 1 91 TYR QB 1 134 ILE HB . . 4.280 2.428 2.203 2.588 . 0 0 "[ . 1 . ]" 1
604 1 91 TYR QB 1 136 ILE MD . . 4.250 2.642 2.421 2.841 . 0 0 "[ . 1 . ]" 1
605 1 91 TYR HB2 1 93 ILE MD . . 4.590 4.192 3.865 4.416 . 0 0 "[ . 1 . ]" 1
606 1 91 TYR HB2 1 136 ILE MD . . 4.330 2.696 2.464 2.911 . 0 0 "[ . 1 . ]" 1
607 1 91 TYR HB3 1 134 ILE H . . 4.280 3.980 3.705 4.330 0.050 4 0 "[ . 1 . ]" 1
608 1 91 TYR HB3 1 134 ILE HB . . 4.250 2.632 2.403 2.797 . 0 0 "[ . 1 . ]" 1
609 1 91 TYR HB3 1 134 ILE MG . . 4.430 3.853 3.383 4.053 . 0 0 "[ . 1 . ]" 1
610 1 91 TYR HB3 1 136 ILE MD . . 5.210 3.796 3.523 4.026 . 0 0 "[ . 1 . ]" 1
611 1 91 TYR HB3 1 136 ILE QG . . 4.500 4.690 4.395 4.904 0.404 11 0 "[ . 1 . ]" 1
612 1 91 TYR HB3 1 136 ILE HG12 . . 5.230 5.132 4.862 5.359 0.129 11 0 "[ . 1 . ]" 1
613 1 91 TYR HB3 1 136 ILE HG13 . . 5.230 5.431 5.013 5.707 0.477 8 0 "[ . 1 . ]" 1
614 1 91 TYR QD 1 92 ARG H . . 4.380 4.177 3.916 4.419 0.039 4 0 "[ . 1 . ]" 1
615 1 91 TYR QD 1 93 ILE MD . . 5.080 2.939 2.703 3.138 . 0 0 "[ . 1 . ]" 1
616 1 91 TYR QD 1 125 ARG H . . 4.520 4.093 3.947 4.427 . 0 0 "[ . 1 . ]" 1
617 1 91 TYR QD 1 126 LYS HA . . 4.630 4.814 4.377 5.397 0.767 8 1 "[ . + 1 . ]" 1
618 1 91 TYR QD 1 134 ILE HB . . 4.520 4.604 4.407 4.747 0.227 16 0 "[ . 1 . ]" 1
619 1 91 TYR QD 1 136 ILE MD . . 4.000 3.965 3.625 4.218 0.218 13 0 "[ . 1 . ]" 1
620 1 91 TYR QD 1 136 ILE QG . . 4.880 3.408 3.237 3.602 . 0 0 "[ . 1 . ]" 1
621 1 91 TYR QE 1 93 ILE MD . . 4.160 3.646 3.113 4.051 . 0 0 "[ . 1 . ]" 1
622 1 91 TYR QE 1 125 ARG H . . 4.300 3.881 3.501 4.211 . 0 0 "[ . 1 . ]" 1
623 1 92 ARG H 1 93 ILE H . . 4.150 4.505 4.467 4.530 0.380 3 0 "[ . 1 . ]" 1
624 1 92 ARG H 1 132 ALA MB . . 3.690 2.644 2.526 2.992 . 0 0 "[ . 1 . ]" 1
625 1 92 ARG H 1 134 ILE H . . 4.400 4.224 3.915 4.461 0.061 14 0 "[ . 1 . ]" 1
626 1 92 ARG H 1 134 ILE HB . . 4.640 4.045 3.584 4.289 . 0 0 "[ . 1 . ]" 1
627 1 92 ARG H 1 135 MET HA . . 3.870 2.747 2.600 3.091 . 0 0 "[ . 1 . ]" 1
628 1 92 ARG H 1 135 MET ME . . 4.950 3.818 3.017 4.066 . 0 0 "[ . 1 . ]" 1
629 1 92 ARG H 1 136 ILE H . . 3.820 3.807 3.718 3.899 0.079 4 0 "[ . 1 . ]" 1
630 1 92 ARG H 1 136 ILE MD . . 3.890 4.015 3.571 4.314 0.424 8 0 "[ . 1 . ]" 1
631 1 92 ARG HA 1 92 ARG QD . . 4.510 3.548 2.633 3.917 . 0 0 "[ . 1 . ]" 1
632 1 92 ARG HA 1 92 ARG HD3 . . 5.120 4.418 3.406 4.748 . 0 0 "[ . 1 . ]" 1
633 1 92 ARG HA 1 92 ARG HD2 . . 5.120 3.769 2.730 4.734 . 0 0 "[ . 1 . ]" 1
634 1 92 ARG HA 1 92 ARG HE . . 5.240 5.133 5.006 5.566 0.326 7 0 "[ . 1 . ]" 1
635 1 92 ARG HA 1 135 MET ME . . 4.730 4.635 4.343 4.742 0.012 2 0 "[ . 1 . ]" 1
636 1 92 ARG QB 1 131 THR HA . . 4.010 3.987 3.812 4.263 0.253 8 0 "[ . 1 . ]" 1
637 1 92 ARG QB 1 132 ALA H . . 4.010 3.382 3.000 3.758 . 0 0 "[ . 1 . ]" 1
638 1 92 ARG QB 1 132 ALA MB . . 4.540 2.067 1.975 2.231 . 0 0 "[ . 1 . ]" 1
639 1 92 ARG HB2 1 92 ARG HE . . 5.500 4.438 3.057 4.714 . 0 0 "[ . 1 . ]" 1
640 1 92 ARG HB2 1 131 THR HA . . 4.720 4.503 4.106 4.840 0.120 8 0 "[ . 1 . ]" 1
641 1 92 ARG HB2 1 132 ALA H . . 4.800 4.053 3.229 4.578 . 0 0 "[ . 1 . ]" 1
642 1 92 ARG HB3 1 92 ARG HE . . 5.500 4.542 2.775 5.160 . 0 0 "[ . 1 . ]" 1
643 1 92 ARG HB3 1 131 THR HA . . 4.720 4.472 4.142 4.734 0.014 8 0 "[ . 1 . ]" 1
644 1 92 ARG HB3 1 132 ALA H . . 4.800 3.642 3.250 3.994 . 0 0 "[ . 1 . ]" 1
645 1 92 ARG QD 1 93 ILE H . . 4.500 4.059 2.960 4.379 . 0 0 "[ . 1 . ]" 1
646 1 92 ARG QD 1 128 VAL H . . 5.010 5.226 4.302 5.753 0.743 14 6 "[ * * 1*- +* ]" 1
647 1 92 ARG QD 1 131 THR HA . . 4.830 3.194 2.594 3.903 . 0 0 "[ . 1 . ]" 1
648 1 92 ARG QD 1 132 ALA H . . 3.830 4.161 3.645 4.854 1.024 10 6 "[ - * * + * .*]" 1
649 1 92 ARG QD 1 132 ALA MB . . 3.860 3.340 3.180 3.551 . 0 0 "[ . 1 . ]" 1
650 1 92 ARG QD 1 135 MET ME . . 4.480 3.378 2.782 4.193 . 0 0 "[ . 1 . ]" 1
651 1 92 ARG HD3 1 132 ALA MB . . 4.400 3.660 3.255 4.027 . 0 0 "[ . 1 . ]" 1
652 1 92 ARG HD3 1 135 MET ME . . 5.210 3.516 2.822 4.535 . 0 0 "[ . 1 . ]" 1
653 1 92 ARG HD2 1 132 ALA MB . . 4.400 3.992 3.651 4.696 0.296 8 0 "[ . 1 . ]" 1
654 1 92 ARG HD2 1 135 MET ME . . 5.210 4.565 4.216 4.979 . 0 0 "[ . 1 . ]" 1
655 1 92 ARG HE 1 127 VAL HB . . 5.280 5.391 4.715 5.846 0.566 2 2 "[ + . 1 .-]" 1
656 1 92 ARG QG 1 93 ILE H . . 3.410 2.280 2.174 2.582 . 0 0 "[ . 1 . ]" 1
657 1 93 ILE H 1 93 ILE HB . . 3.170 2.556 2.340 2.737 . 0 0 "[ . 1 . ]" 1
658 1 93 ILE H 1 93 ILE MD . . 3.910 2.734 2.203 3.225 . 0 0 "[ . 1 . ]" 1
659 1 93 ILE H 1 93 ILE QG . . 3.470 2.794 2.277 3.629 0.159 16 0 "[ . 1 . ]" 1
660 1 93 ILE H 1 93 ILE MG . . 4.360 3.840 3.740 3.901 . 0 0 "[ . 1 . ]" 1
661 1 93 ILE H 1 94 VAL H . . 4.620 4.624 4.596 4.648 0.028 4 0 "[ . 1 . ]" 1
662 1 93 ILE HB 1 94 VAL H . . 4.120 4.114 3.951 4.330 0.210 15 0 "[ . 1 . ]" 1
663 1 93 ILE MD 1 94 VAL H . . 5.010 4.435 4.166 4.888 . 0 0 "[ . 1 . ]" 1
664 1 93 ILE MD 1 102 HIS HD2 . . 4.360 4.774 4.500 4.962 0.602 12 4 "[ **. -1 + . ]" 1
665 1 93 ILE MD 1 106 ASP H . . 4.700 4.358 4.160 4.541 . 0 0 "[ . 1 . ]" 1
666 1 93 ILE MD 1 106 ASP HA . . 3.800 2.285 2.206 2.381 . 0 0 "[ . 1 . ]" 1
667 1 93 ILE MD 1 109 VAL HB . . 4.450 4.008 3.792 4.265 . 0 0 "[ . 1 . ]" 1
668 1 93 ILE MD 1 136 ILE H . . 4.880 3.855 3.537 4.398 . 0 0 "[ . 1 . ]" 1
669 1 93 ILE QG 1 136 ILE HB . . 3.810 3.464 2.344 4.207 0.397 13 0 "[ . 1 . ]" 1
670 1 93 ILE HG12 1 136 ILE HB . . 4.440 4.512 4.092 4.897 0.457 13 0 "[ . 1 . ]" 1
671 1 93 ILE HG13 1 136 ILE HB . . 4.440 3.721 2.358 4.633 0.193 2 0 "[ . 1 . ]" 1
672 1 93 ILE MD 1 93 ILE MG . . 3.430 2.683 2.249 3.357 . 0 0 "[ . 1 . ]" 1
673 1 93 ILE MG 1 94 VAL H . . 4.210 2.520 2.410 2.631 . 0 0 "[ . 1 . ]" 1
674 1 93 ILE MG 1 95 SER H . . 3.800 2.581 2.529 2.679 . 0 0 "[ . 1 . ]" 1
675 1 93 ILE MG 1 102 HIS HD2 . . 4.180 2.441 2.317 2.557 . 0 0 "[ . 1 . ]" 1
676 1 93 ILE MG 1 136 ILE H . . 4.680 4.157 4.051 4.358 . 0 0 "[ . 1 . ]" 1
677 1 93 ILE MG 1 136 ILE MG . . 4.660 3.429 2.905 4.251 . 0 0 "[ . 1 . ]" 1
678 1 94 VAL H 1 94 VAL HB . . 3.540 2.628 2.570 2.690 . 0 0 "[ . 1 . ]" 1
679 1 94 VAL H 1 95 SER H . . 2.540 2.454 2.393 2.511 . 0 0 "[ . 1 . ]" 1
680 1 94 VAL H 1 95 SER QB . . 5.210 4.684 4.512 5.102 . 0 0 "[ . 1 . ]" 1
681 1 94 VAL H 1 136 ILE H . . 3.210 3.047 2.830 3.208 . 0 0 "[ . 1 . ]" 1
682 1 94 VAL H 1 136 ILE HB . . 4.230 3.620 3.446 3.869 . 0 0 "[ . 1 . ]" 1
683 1 94 VAL HB 1 95 SER H . . 3.530 2.413 2.376 2.444 . 0 0 "[ . 1 . ]" 1
684 1 94 VAL HB 1 137 GLY QA . . 4.180 2.286 2.194 2.512 . 0 0 "[ . 1 . ]" 1
685 1 94 VAL HB 1 137 GLY HA2 . . 4.760 2.517 2.351 2.926 . 0 0 "[ . 1 . ]" 1
686 1 94 VAL HB 1 137 GLY HA3 . . 4.760 2.650 2.368 2.810 . 0 0 "[ . 1 . ]" 1
687 1 95 SER H 1 95 SER QB . . 3.550 2.665 2.508 3.113 . 0 0 "[ . 1 . ]" 1
688 1 95 SER H 1 137 GLY QA . . 4.350 2.525 2.441 2.615 . 0 0 "[ . 1 . ]" 1
689 1 95 SER H 1 138 PHE H . . 3.880 3.730 3.466 3.933 0.053 16 0 "[ . 1 . ]" 1
690 1 95 SER QB 1 96 TYR H . . 3.610 3.033 2.374 3.455 . 0 0 "[ . 1 . ]" 1
691 1 95 SER QB 1 138 PHE QD . . 4.290 3.407 2.722 4.278 . 0 0 "[ . 1 . ]" 1
692 1 96 TYR H 1 96 TYR QB . . 3.240 3.183 3.054 3.274 0.034 9 0 "[ . 1 . ]" 1
693 1 96 TYR HA 1 97 THR H . . 3.740 2.377 2.293 2.419 . 0 0 "[ . 1 . ]" 1
694 1 96 TYR HA 1 102 HIS HD2 . . 3.960 4.318 3.036 4.820 0.860 15 6 "[* .** 1* -+ ]" 1
695 1 96 TYR HA 1 138 PHE QD . . 4.000 3.108 2.659 4.170 0.170 16 0 "[ . 1 . ]" 1
696 1 96 TYR QB 1 102 HIS HD2 . . 3.370 2.546 2.454 2.657 . 0 0 "[ . 1 . ]" 1
697 1 96 TYR HB2 1 97 THR H . . 4.010 2.672 2.473 3.296 . 0 0 "[ . 1 . ]" 1
698 1 96 TYR HB2 1 102 HIS HD2 . . 3.900 4.058 3.942 4.163 0.263 16 0 "[ . 1 . ]" 1
699 1 96 TYR HB3 1 97 THR H . . 3.710 3.819 3.711 4.132 0.422 16 0 "[ . 1 . ]" 1
700 1 96 TYR HB3 1 102 HIS HD2 . . 3.900 2.573 2.473 2.689 . 0 0 "[ . 1 . ]" 1
701 1 97 THR HB 1 98 ARG H . . 4.400 4.011 3.349 4.176 . 0 0 "[ . 1 . ]" 1
702 1 97 THR HB 1 99 ASP H . . 4.560 4.315 2.694 4.670 0.110 5 0 "[ . 1 . ]" 1
703 1 97 THR H 1 97 THR MG . . 3.350 2.298 2.155 3.770 0.420 12 0 "[ . 1 . ]" 1
704 1 97 THR MG 1 98 ARG H . . 5.070 3.823 2.476 4.162 . 0 0 "[ . 1 . ]" 1
705 1 97 THR MG 1 99 ASP H . . 4.260 2.782 2.523 3.224 . 0 0 "[ . 1 . ]" 1
706 1 97 THR MG 1 99 ASP HA . . 4.850 4.418 4.050 4.961 0.111 12 0 "[ . 1 . ]" 1
707 1 97 THR MG 1 100 LEU H . . 3.510 2.401 2.253 3.858 0.348 12 0 "[ . 1 . ]" 1
708 1 97 THR MG 1 100 LEU QB . . 4.650 2.847 2.484 4.128 . 0 0 "[ . 1 . ]" 1
709 1 97 THR MG 1 100 LEU HB2 . . 4.530 2.888 2.507 4.237 . 0 0 "[ . 1 . ]" 1
710 1 97 THR MG 1 100 LEU HG . . 5.040 3.673 3.157 4.638 . 0 0 "[ . 1 . ]" 1
711 1 97 THR MG 1 138 PHE QD . . 3.840 3.546 3.166 3.685 . 0 0 "[ . 1 . ]" 1
712 1 97 THR MG 1 178 TRP H . . 4.430 4.416 4.177 4.587 0.157 14 0 "[ . 1 . ]" 1
713 1 97 THR MG 1 178 TRP QB . . 4.180 2.424 2.200 2.808 . 0 0 "[ . 1 . ]" 1
714 1 97 THR MG 1 178 TRP HD1 . . 4.850 3.080 2.888 3.465 . 0 0 "[ . 1 . ]" 1
715 1 97 THR MG 1 178 TRP HE1 . . 4.910 4.939 4.615 5.391 0.481 16 0 "[ . 1 . ]" 1
716 1 97 THR MG 1 188 PHE QE . . 4.910 3.680 3.020 4.167 . 0 0 "[ . 1 . ]" 1
717 1 98 ARG H 1 98 ARG QG . . 3.280 2.342 2.157 2.490 . 0 0 "[ . 1 . ]" 1
718 1 98 ARG H 1 98 ARG HG2 . . 3.810 3.090 2.244 3.832 0.022 16 0 "[ . 1 . ]" 1
719 1 98 ARG H 1 98 ARG HG3 . . 3.810 2.696 2.300 3.790 . 0 0 "[ . 1 . ]" 1
720 1 98 ARG H 1 99 ASP H . . 3.330 2.825 2.586 3.049 . 0 0 "[ . 1 . ]" 1
721 1 98 ARG H 1 99 ASP QB . . 4.640 4.859 4.386 5.269 0.629 15 2 "[ . 1 - + ]" 1
722 1 98 ARG H 1 100 LEU H . . 4.510 4.542 4.293 4.765 0.255 9 0 "[ . 1 . ]" 1
723 1 98 ARG HA 1 98 ARG QG . . 3.510 3.195 2.311 3.601 0.091 8 0 "[ . 1 . ]" 1
724 1 98 ARG HA 1 100 LEU H . . 4.100 3.885 3.705 4.189 0.089 3 0 "[ . 1 . ]" 1
725 1 98 ARG QG 1 99 ASP H . . 4.480 3.185 2.349 4.418 . 0 0 "[ . 1 . ]" 1
726 1 98 ARG HG2 1 99 ASP H . . 5.160 4.293 2.518 5.320 0.160 16 0 "[ . 1 . ]" 1
727 1 98 ARG HG3 1 99 ASP H . . 5.160 3.399 2.418 5.260 0.100 3 0 "[ . 1 . ]" 1
728 1 99 ASP H 1 100 LEU H . . 2.730 2.959 2.832 3.167 0.437 5 0 "[ . 1 . ]" 1
729 1 99 ASP QB 1 100 LEU H . . 3.750 2.938 2.592 3.107 . 0 0 "[ . 1 . ]" 1
730 1 99 ASP QB 1 178 TRP H . . 4.090 3.580 3.310 3.878 . 0 0 "[ . 1 . ]" 1
731 1 100 LEU H 1 100 LEU HB2 . . 3.280 2.588 2.472 2.981 . 0 0 "[ . 1 . ]" 1
732 1 100 LEU QB 1 104 THR MG . . 4.780 2.724 2.252 2.942 . 0 0 "[ . 1 . ]" 1
733 1 100 LEU HB2 1 104 THR MG . . 4.790 4.103 3.286 4.415 . 0 0 "[ . 1 . ]" 1
734 1 100 LEU HB3 1 104 THR HB . . 4.120 2.636 2.505 2.810 . 0 0 "[ . 1 . ]" 1
735 1 100 LEU HB3 1 104 THR MG . . 3.800 2.765 2.293 2.987 . 0 0 "[ . 1 . ]" 1
736 1 101 PRO HB2 1 104 THR H . . 3.890 3.519 3.123 3.686 . 0 0 "[ . 1 . ]" 1
737 1 101 PRO QD 1 104 THR H . . 4.420 3.921 3.852 3.971 . 0 0 "[ . 1 . ]" 1
738 1 101 PRO QD 1 104 THR HB . . 4.350 2.353 2.241 2.440 . 0 0 "[ . 1 . ]" 1
739 1 101 PRO HG2 1 104 THR H . . 3.380 2.369 2.317 2.433 . 0 0 "[ . 1 . ]" 1
740 1 102 HIS HA 1 102 HIS HD2 . . 3.450 2.528 2.397 2.652 . 0 0 "[ . 1 . ]" 1
741 1 102 HIS HA 1 105 VAL H . . 4.000 3.520 3.292 3.738 . 0 0 "[ . 1 . ]" 1
742 1 102 HIS HA 1 105 VAL HB . . 4.210 3.038 2.837 3.266 . 0 0 "[ . 1 . ]" 1
743 1 102 HIS QB 1 103 ILE H . . 3.680 2.407 2.323 2.505 . 0 0 "[ . 1 . ]" 1
744 1 102 HIS QB 1 103 ILE MG . . 4.380 4.147 3.915 4.316 . 0 0 "[ . 1 . ]" 1
745 1 102 HIS HB2 1 103 ILE H . . 4.430 3.633 3.329 3.805 . 0 0 "[ . 1 . ]" 1
746 1 102 HIS HB3 1 103 ILE H . . 4.430 2.444 2.354 2.552 . 0 0 "[ . 1 . ]" 1
747 1 102 HIS HD2 1 105 VAL HB . . 3.870 3.213 3.095 3.404 . 0 0 "[ . 1 . ]" 1
748 1 102 HIS HD2 1 106 ASP QB . . 4.760 3.718 3.217 4.220 . 0 0 "[ . 1 . ]" 1
749 1 103 ILE H 1 103 ILE HB . . 3.280 2.524 2.357 2.713 . 0 0 "[ . 1 . ]" 1
750 1 103 ILE H 1 103 ILE MD . . 4.460 4.316 4.044 4.547 0.087 10 0 "[ . 1 . ]" 1
751 1 103 ILE H 1 103 ILE QG . . 4.680 4.090 4.005 4.181 . 0 0 "[ . 1 . ]" 1
752 1 103 ILE H 1 103 ILE HG12 . . 5.450 4.619 4.485 4.743 . 0 0 "[ . 1 . ]" 1
753 1 103 ILE H 1 103 ILE HG13 . . 5.450 4.577 4.380 4.804 . 0 0 "[ . 1 . ]" 1
754 1 103 ILE H 1 103 ILE MG . . 3.320 2.260 2.164 2.316 . 0 0 "[ . 1 . ]" 1
755 1 103 ILE H 1 104 THR H . . 3.000 3.020 2.883 3.144 0.144 10 0 "[ . 1 . ]" 1
756 1 103 ILE H 1 104 THR HB . . 4.470 5.292 5.124 5.461 0.991 10 16 [*********+****-*] 1
757 1 103 ILE H 1 105 VAL H . . 3.990 4.725 4.479 4.969 0.979 10 15 "[******* *+****-*]" 1
758 1 103 ILE HA 1 103 ILE MD . . 4.220 3.189 2.175 3.892 . 0 0 "[ . 1 . ]" 1
759 1 103 ILE HA 1 103 ILE MG . . 3.650 3.331 3.297 3.351 . 0 0 "[ . 1 . ]" 1
760 1 103 ILE HA 1 106 ASP H . . 3.680 3.756 3.408 4.080 0.400 6 0 "[ . 1 . ]" 1
761 1 103 ILE HA 1 106 ASP QB . . 3.850 2.769 2.476 3.048 . 0 0 "[ . 1 . ]" 1
762 1 103 ILE HB 1 103 ILE MD . . 3.270 2.645 2.344 3.315 0.045 5 0 "[ . 1 . ]" 1
763 1 103 ILE HB 1 104 THR H . . 4.280 4.087 3.982 4.216 . 0 0 "[ . 1 . ]" 1
764 1 103 ILE MD 1 104 THR H . . 4.600 4.332 3.066 4.923 0.323 3 0 "[ . 1 . ]" 1
765 1 103 ILE MD 1 104 THR HA . . 5.310 4.221 2.360 5.095 . 0 0 "[ . 1 . ]" 1
766 1 103 ILE QG 1 104 THR H . . 4.620 3.917 3.479 4.274 . 0 0 "[ . 1 . ]" 1
767 1 103 ILE QG 1 103 ILE MG . . 3.120 2.298 2.086 2.495 . 0 0 "[ . 1 . ]" 1
768 1 103 ILE MG 1 104 THR H . . 3.280 2.257 2.189 2.370 . 0 0 "[ . 1 . ]" 1
769 1 103 ILE MG 1 104 THR HA . . 4.940 3.416 3.115 3.908 . 0 0 "[ . 1 . ]" 1
770 1 103 ILE MG 1 104 THR HB . . 5.190 3.749 3.575 3.913 . 0 0 "[ . 1 . ]" 1
771 1 104 THR H 1 104 THR HB . . 3.460 2.420 2.364 2.452 . 0 0 "[ . 1 . ]" 1
772 1 104 THR H 1 104 THR MG . . 4.250 3.798 3.765 3.827 . 0 0 "[ . 1 . ]" 1
773 1 104 THR H 1 105 VAL H . . 2.660 2.675 2.596 2.822 0.162 1 0 "[ . 1 . ]" 1
774 1 104 THR H 1 106 ASP H . . 4.110 4.088 3.742 4.306 0.196 1 0 "[ . 1 . ]" 1
775 1 104 THR HA 1 104 THR MG . . 3.680 2.497 2.433 2.611 . 0 0 "[ . 1 . ]" 1
776 1 104 THR HA 1 107 ARG H . . 4.110 3.297 2.892 3.512 . 0 0 "[ . 1 . ]" 1
777 1 104 THR HA 1 107 ARG QG . . 3.790 2.362 2.256 2.480 . 0 0 "[ . 1 . ]" 1
778 1 104 THR HB 1 105 VAL H . . 4.010 2.672 2.484 2.879 . 0 0 "[ . 1 . ]" 1
779 1 104 THR MG 1 105 VAL H . . 4.890 3.331 3.123 3.570 . 0 0 "[ . 1 . ]" 1
780 1 104 THR MG 1 105 VAL HA . . 4.830 3.464 3.305 3.676 . 0 0 "[ . 1 . ]" 1
781 1 104 THR MG 1 108 LEU HG . . 4.150 4.162 4.034 4.295 0.145 6 0 "[ . 1 . ]" 1
782 1 104 THR MG 1 180 ASP QB . . 3.690 3.162 2.911 4.093 0.403 14 0 "[ . 1 . ]" 1
783 1 104 THR MG 1 180 ASP HB2 . . 4.340 3.694 3.141 4.414 0.074 14 0 "[ . 1 . ]" 1
784 1 104 THR MG 1 180 ASP HB3 . . 4.340 3.523 3.072 4.844 0.504 14 1 "[ . 1 +. ]" 1
785 1 104 THR MG 1 188 PHE QD . . 4.710 5.250 4.879 5.613 0.903 15 9 "[ * * -* ** **+ ]" 1
786 1 105 VAL H 1 105 VAL HB . . 3.900 2.633 2.562 2.704 . 0 0 "[ . 1 . ]" 1
787 1 105 VAL H 1 106 ASP H . . 2.800 2.888 2.718 3.034 0.234 12 0 "[ . 1 . ]" 1
788 1 105 VAL H 1 106 ASP QB . . 4.350 4.658 4.502 4.847 0.497 12 0 "[ . 1 . ]" 1
789 1 105 VAL H 1 107 ARG H . . 4.360 4.492 4.123 4.689 0.329 14 0 "[ . 1 . ]" 1
790 1 105 VAL HA 1 188 PHE QE . . 4.210 4.523 3.922 4.887 0.677 10 2 "[ . - + . ]" 1
791 1 105 VAL HB 1 106 ASP H . . 3.570 2.510 2.450 2.624 . 0 0 "[ . 1 . ]" 1
792 1 106 ASP H 1 106 ASP QB . . 3.240 2.291 2.276 2.319 . 0 0 "[ . 1 . ]" 1
793 1 106 ASP H 1 106 ASP HB2 . . 3.830 2.480 2.395 2.574 . 0 0 "[ . 1 . ]" 1
794 1 106 ASP H 1 106 ASP HB3 . . 3.830 2.711 2.573 2.842 . 0 0 "[ . 1 . ]" 1
795 1 106 ASP H 1 107 ARG H . . 3.040 3.038 2.841 3.173 0.133 15 0 "[ . 1 . ]" 1
796 1 106 ASP H 1 107 ARG QG . . 4.570 4.911 4.616 5.155 0.585 9 2 "[ - . +1 . ]" 1
797 1 106 ASP QB 1 107 ARG H . . 3.570 2.594 2.488 2.779 . 0 0 "[ . 1 . ]" 1
798 1 106 ASP HB2 1 107 ARG H . . 4.130 3.951 3.849 4.043 . 0 0 "[ . 1 . ]" 1
799 1 106 ASP HB3 1 107 ARG H . . 4.130 2.631 2.517 2.838 . 0 0 "[ . 1 . ]" 1
800 1 107 ARG H 1 107 ARG QB . . 3.330 2.419 2.303 2.525 . 0 0 "[ . 1 . ]" 1
801 1 107 ARG H 1 107 ARG HB2 . . 3.790 3.679 3.583 3.738 . 0 0 "[ . 1 . ]" 1
802 1 107 ARG H 1 107 ARG HB3 . . 3.790 2.453 2.332 2.567 . 0 0 "[ . 1 . ]" 1
803 1 107 ARG H 1 107 ARG QG . . 3.620 2.589 2.384 2.898 . 0 0 "[ . 1 . ]" 1
804 1 107 ARG H 1 108 LEU H . . 2.750 2.790 2.690 2.883 0.133 7 0 "[ . 1 . ]" 1
805 1 107 ARG H 1 110 SER H . . 5.500 4.923 4.837 5.075 . 0 0 "[ . 1 . ]" 1
806 1 107 ARG HA 1 107 ARG QG . . 3.740 3.423 3.314 3.541 . 0 0 "[ . 1 . ]" 1
807 1 107 ARG HA 1 110 SER H . . 4.260 3.236 3.075 3.421 . 0 0 "[ . 1 . ]" 1
808 1 107 ARG QB 1 108 LEU H . . 3.490 3.731 3.630 3.855 0.365 1 0 "[ . 1 . ]" 1
809 1 107 ARG HB2 1 108 LEU H . . 4.070 4.285 4.116 4.460 0.390 3 0 "[ . 1 . ]" 1
810 1 107 ARG HB3 1 108 LEU H . . 4.070 4.109 4.029 4.292 0.222 1 0 "[ . 1 . ]" 1
811 1 107 ARG QD 1 108 LEU H . . 5.340 3.974 3.406 4.589 . 0 0 "[ . 1 . ]" 1
812 1 107 ARG HE 1 111 LYS QD . . 3.750 3.445 3.018 4.036 0.286 1 0 "[ . 1 . ]" 1
813 1 107 ARG HE 1 111 LYS HD2 . . 4.290 3.777 3.102 4.344 0.054 1 0 "[ . 1 . ]" 1
814 1 107 ARG HE 1 111 LYS HD3 . . 4.290 4.114 3.366 4.794 0.504 1 1 "[+ . 1 . ]" 1
815 1 108 LEU H 1 108 LEU QB . . 3.310 2.495 2.365 2.608 . 0 0 "[ . 1 . ]" 1
816 1 108 LEU H 1 108 LEU HB2 . . 4.100 2.537 2.396 2.659 . 0 0 "[ . 1 . ]" 1
817 1 108 LEU H 1 108 LEU HB3 . . 4.100 3.701 3.647 3.766 . 0 0 "[ . 1 . ]" 1
818 1 108 LEU H 1 108 LEU HG . . 4.420 4.310 4.258 4.387 . 0 0 "[ . 1 . ]" 1
819 1 108 LEU H 1 110 SER H . . 4.120 4.299 4.075 4.402 0.282 10 0 "[ . 1 . ]" 1
820 1 108 LEU H 1 188 PHE QD . . 4.520 5.150 5.041 5.340 0.820 16 16 [*************-*+] 1
821 1 108 LEU HA 1 111 LYS H . . 4.990 3.176 3.034 3.371 . 0 0 "[ . 1 . ]" 1
822 1 108 LEU HA 1 111 LYS QB . . 3.810 2.329 2.236 2.412 . 0 0 "[ . 1 . ]" 1
823 1 108 LEU QB 1 109 VAL H . . 3.390 2.763 2.537 2.981 . 0 0 "[ . 1 . ]" 1
824 1 108 LEU QB 1 188 PHE QD . . 4.850 2.392 2.229 2.552 . 0 0 "[ . 1 . ]" 1
825 1 108 LEU HB2 1 109 VAL H . . 3.390 2.854 2.602 3.112 . 0 0 "[ . 1 . ]" 1
826 1 108 LEU HB3 1 109 VAL H . . 3.390 3.698 3.502 3.816 0.426 5 0 "[ . 1 . ]" 1
827 1 109 VAL H 1 109 VAL HB . . 3.390 3.751 3.722 3.803 0.413 9 0 "[ . 1 . ]" 1
828 1 109 VAL H 1 110 SER H . . 2.720 2.709 2.596 2.795 0.075 16 0 "[ . 1 . ]" 1
829 1 109 VAL H 1 110 SER QB . . 4.770 4.551 4.390 4.759 . 0 0 "[ . 1 . ]" 1
830 1 109 VAL H 1 188 PHE QE . . 4.440 4.491 4.228 4.780 0.340 5 0 "[ . 1 . ]" 1
831 1 109 VAL HA 1 111 LYS H . . 4.660 4.376 4.185 4.687 0.027 1 0 "[ . 1 . ]" 1
832 1 109 VAL HA 1 112 ALA H . . 4.290 3.560 3.246 3.906 . 0 0 "[ . 1 . ]" 1
833 1 109 VAL HA 1 112 ALA MB . . 4.340 3.237 2.831 3.533 . 0 0 "[ . 1 . ]" 1
834 1 109 VAL HA 1 192 ALA HA . . 4.430 4.912 4.751 5.060 0.630 4 6 "[ +. - ** ** ]" 1
835 1 109 VAL HB 1 110 SER H . . 3.730 4.139 4.035 4.201 0.471 14 0 "[ . 1 . ]" 1
836 1 110 SER H 1 110 SER QB . . 2.930 2.321 2.289 2.393 . 0 0 "[ . 1 . ]" 1
837 1 110 SER H 1 110 SER HB3 . . 3.020 2.624 2.491 2.797 . 0 0 "[ . 1 . ]" 1
838 1 110 SER H 1 111 LYS H . . 2.920 2.677 2.550 2.772 . 0 0 "[ . 1 . ]" 1
839 1 110 SER H 1 111 LYS QB . . 4.330 4.369 4.265 4.429 0.099 9 0 "[ . 1 . ]" 1
840 1 110 SER H 1 112 ALA H . . 4.140 4.290 3.981 4.564 0.424 15 0 "[ . 1 . ]" 1
841 1 110 SER QB 1 111 LYS H . . 3.160 2.724 2.531 2.876 . 0 0 "[ . 1 . ]" 1
842 1 110 SER HB3 1 111 LYS H . . 3.160 2.772 2.563 2.946 . 0 0 "[ . 1 . ]" 1
843 1 111 LYS H 1 111 LYS QB . . 2.930 2.183 2.160 2.209 . 0 0 "[ . 1 . ]" 1
844 1 111 LYS H 1 111 LYS QD . . 4.270 4.250 4.195 4.318 0.048 11 0 "[ . 1 . ]" 1
845 1 111 LYS H 1 111 LYS HD2 . . 4.920 4.913 4.779 5.048 0.128 11 0 "[ . 1 . ]" 1
846 1 111 LYS H 1 111 LYS HD3 . . 4.920 4.657 4.527 4.795 . 0 0 "[ . 1 . ]" 1
847 1 111 LYS H 1 111 LYS QG . . 3.860 4.030 4.007 4.050 0.190 6 0 "[ . 1 . ]" 1
848 1 111 LYS H 1 111 LYS HG2 . . 4.490 4.555 4.512 4.601 0.111 6 0 "[ . 1 . ]" 1
849 1 111 LYS H 1 111 LYS HG3 . . 4.490 4.495 4.461 4.522 0.032 16 0 "[ . 1 . ]" 1
850 1 111 LYS H 1 112 ALA H . . 2.940 2.733 2.633 2.846 . 0 0 "[ . 1 . ]" 1
851 1 111 LYS H 1 112 ALA MB . . 4.310 4.520 4.447 4.623 0.313 9 0 "[ . 1 . ]" 1
852 1 111 LYS HA 1 111 LYS QE . . 5.070 4.877 4.775 4.998 . 0 0 "[ . 1 . ]" 1
853 1 111 LYS HA 1 113 LEU H . . 4.980 5.187 4.946 5.416 0.436 12 0 "[ . 1 . ]" 1
854 1 111 LYS HA 1 114 ASN H . . 4.260 3.996 3.781 4.175 . 0 0 "[ . 1 . ]" 1
855 1 111 LYS QB 1 112 ALA H . . 3.530 2.938 2.771 3.144 . 0 0 "[ . 1 . ]" 1
856 1 111 LYS QG 1 112 ALA H . . 4.400 4.106 3.997 4.250 . 0 0 "[ . 1 . ]" 1
857 1 112 ALA H 1 112 ALA MB . . 3.100 2.287 2.215 2.380 . 0 0 "[ . 1 . ]" 1
858 1 112 ALA H 1 113 LEU H . . 3.040 2.541 2.425 2.658 . 0 0 "[ . 1 . ]" 1
859 1 112 ALA HA 1 115 MET H . . 3.870 3.388 3.186 3.628 . 0 0 "[ . 1 . ]" 1
860 1 112 ALA HA 1 115 MET QB . . 4.300 2.685 2.337 3.494 . 0 0 "[ . 1 . ]" 1
861 1 112 ALA HA 1 115 MET ME . . 4.580 3.249 2.361 4.806 0.226 15 0 "[ . 1 . ]" 1
862 1 112 ALA HA 1 193 THR HA . . 4.580 4.428 4.239 4.645 0.065 2 0 "[ . 1 . ]" 1
863 1 112 ALA HA 1 193 THR MG . . 4.430 3.340 2.709 4.335 . 0 0 "[ . 1 . ]" 1
864 1 112 ALA MB 1 113 LEU H . . 3.560 2.339 2.251 2.442 . 0 0 "[ . 1 . ]" 1
865 1 112 ALA MB 1 115 MET H . . 4.940 4.529 4.354 4.749 . 0 0 "[ . 1 . ]" 1
866 1 112 ALA MB 1 192 ALA MB . . 3.490 2.051 1.996 2.141 . 0 0 "[ . 1 . ]" 1
867 1 112 ALA MB 1 193 THR H . . 4.370 2.589 2.243 2.844 . 0 0 "[ . 1 . ]" 1
868 1 112 ALA MB 1 193 THR HA . . 4.190 2.293 2.199 2.410 . 0 0 "[ . 1 . ]" 1
869 1 113 LEU H 1 113 LEU QB . . 3.270 2.217 2.177 2.287 . 0 0 "[ . 1 . ]" 1
870 1 113 LEU H 1 114 ASN H . . 2.810 3.023 2.889 3.137 0.327 10 0 "[ . 1 . ]" 1
871 1 113 LEU H 1 114 ASN QB . . 4.280 4.795 4.659 4.960 0.680 10 9 "[-* *. ** +** * ]" 1
872 1 113 LEU H 1 115 MET QB . . 5.200 5.134 4.821 5.765 0.565 9 1 "[ . +1 . ]" 1
873 1 113 LEU HA 1 116 TRP H . . 4.180 3.535 3.313 3.753 . 0 0 "[ . 1 . ]" 1
874 1 113 LEU HA 1 116 TRP HD1 . . 4.150 2.771 2.548 3.003 . 0 0 "[ . 1 . ]" 1
875 1 113 LEU QB 1 114 ASN H . . 3.350 2.352 2.288 2.491 . 0 0 "[ . 1 . ]" 1
876 1 113 LEU QB 1 124 PHE QD . . 4.740 4.705 4.420 5.082 0.342 16 0 "[ . 1 . ]" 1
877 1 113 LEU HG 1 124 PHE QD . . 3.820 3.182 2.440 3.678 . 0 0 "[ . 1 . ]" 1
878 1 114 ASN H 1 114 ASN QB . . 3.110 2.299 2.270 2.326 . 0 0 "[ . 1 . ]" 1
879 1 114 ASN H 1 115 MET H . . 2.980 2.786 2.647 2.951 . 0 0 "[ . 1 . ]" 1
880 1 114 ASN H 1 115 MET QB . . 4.220 4.668 4.458 5.092 0.872 9 4 "[ * -. *+1 . ]" 1
881 1 114 ASN H 1 116 TRP H . . 4.000 4.390 4.113 4.661 0.661 4 1 "[ +. 1 . ]" 1
882 1 114 ASN HA 1 117 GLY H . . 4.120 3.175 2.944 3.354 . 0 0 "[ . 1 . ]" 1
883 1 114 ASN HA 1 118 LYS H . . 4.160 4.065 3.570 4.338 0.178 13 0 "[ . 1 . ]" 1
884 1 114 ASN QB 1 115 MET H . . 4.070 2.579 2.412 2.707 . 0 0 "[ . 1 . ]" 1
885 1 115 MET H 1 115 MET QB . . 3.790 2.318 2.183 2.602 . 0 0 "[ . 1 . ]" 1
886 1 115 MET H 1 116 TRP H . . 2.870 2.978 2.828 3.209 0.339 7 0 "[ . 1 . ]" 1
887 1 115 MET H 1 117 GLY H . . 4.540 4.380 4.175 4.580 0.040 9 0 "[ . 1 . ]" 1
888 1 115 MET QB 1 115 MET ME . . 4.210 2.636 2.098 3.597 . 0 0 "[ . 1 . ]" 1
889 1 115 MET QB 1 116 TRP H . . 3.710 2.762 2.554 3.139 . 0 0 "[ . 1 . ]" 1
890 1 115 MET ME 1 193 THR MG . . 4.840 3.611 2.720 5.263 0.423 15 0 "[ . 1 . ]" 1
891 1 115 MET ME 1 224 PHE QB . . 4.840 4.640 3.941 5.155 0.315 9 0 "[ . 1 . ]" 1
892 1 115 MET ME 1 224 PHE QE . . 4.130 2.662 2.288 3.485 . 0 0 "[ . 1 . ]" 1
893 1 115 MET ME 1 226 LEU H . . 4.670 3.533 2.526 4.327 . 0 0 "[ . 1 . ]" 1
894 1 115 MET ME 1 226 LEU HA . . 4.700 4.874 4.004 5.663 0.963 15 4 "[* - * + ]" 1
895 1 115 MET ME 1 226 LEU QB . . 4.870 4.843 3.933 5.456 0.586 3 1 "[ + . 1 . ]" 1
896 1 116 TRP H 1 116 TRP HB2 . . 3.080 2.522 2.413 2.627 . 0 0 "[ . 1 . ]" 1
897 1 116 TRP H 1 116 TRP HB3 . . 4.140 3.678 3.629 3.724 . 0 0 "[ . 1 . ]" 1
898 1 116 TRP H 1 116 TRP HD1 . . 3.820 3.207 2.999 3.373 . 0 0 "[ . 1 . ]" 1
899 1 116 TRP H 1 117 GLY H . . 2.720 2.915 2.675 3.094 0.374 12 0 "[ . 1 . ]" 1
900 1 116 TRP H 1 118 LYS H . . 4.070 4.380 4.128 4.606 0.536 15 3 "[ . -* + ]" 1
901 1 116 TRP H 1 193 THR MG . . 4.850 3.958 3.663 4.344 . 0 0 "[ . 1 . ]" 1
902 1 116 TRP HA 1 116 TRP HE3 . . 3.910 2.693 2.530 2.947 . 0 0 "[ . 1 . ]" 1
903 1 116 TRP HB2 1 117 GLY H . . 3.490 2.587 2.459 2.765 . 0 0 "[ . 1 . ]" 1
904 1 116 TRP HB3 1 116 TRP HE1 . . 5.270 5.147 5.114 5.178 . 0 0 "[ . 1 . ]" 1
905 1 116 TRP HB3 1 117 GLY H . . 3.890 3.305 2.969 3.498 . 0 0 "[ . 1 . ]" 1
906 1 116 TRP HB3 1 234 ILE MD . . 4.850 3.806 3.210 4.733 . 0 0 "[ . 1 . ]" 1
907 1 116 TRP HD1 1 196 LEU QB . . 4.120 2.963 2.775 3.113 . 0 0 "[ . 1 . ]" 1
908 1 116 TRP HE1 1 193 THR HA . . 4.040 2.725 2.408 3.036 . 0 0 "[ . 1 . ]" 1
909 1 116 TRP HE1 1 193 THR MG . . 3.980 2.470 2.283 2.940 . 0 0 "[ . 1 . ]" 1
910 1 116 TRP HE1 1 194 HIS HA . . 4.820 4.280 3.960 4.639 . 0 0 "[ . 1 . ]" 1
911 1 116 TRP HE1 1 196 LEU H . . 4.600 4.730 4.523 4.966 0.366 6 0 "[ . 1 . ]" 1
912 1 116 TRP HE1 1 196 LEU QB . . 4.400 3.576 3.382 3.895 . 0 0 "[ . 1 . ]" 1
913 1 116 TRP HE1 1 197 GLY H . . 3.400 2.638 2.524 2.857 . 0 0 "[ . 1 . ]" 1
914 1 116 TRP HE1 1 197 GLY QA . . 4.480 2.636 2.500 2.823 . 0 0 "[ . 1 . ]" 1
915 1 116 TRP HE1 1 198 HIS H . . 4.940 5.217 5.088 5.434 0.494 9 0 "[ . 1 . ]" 1
916 1 116 TRP HE1 1 202 MET QB . . 5.260 5.416 5.067 5.580 0.320 10 0 "[ . 1 . ]" 1
917 1 116 TRP HE3 1 120 ILE MD . . 5.580 3.669 2.864 4.342 . 0 0 "[ . 1 . ]" 1
918 1 116 TRP HE3 1 202 MET ME . . 4.770 4.505 4.028 4.819 0.049 6 0 "[ . 1 . ]" 1
919 1 116 TRP HE3 1 234 ILE MD . . 4.980 2.715 2.306 3.424 . 0 0 "[ . 1 . ]" 1
920 1 116 TRP HE3 1 234 ILE MG . . 4.000 3.019 2.648 3.470 . 0 0 "[ . 1 . ]" 1
921 1 116 TRP HH2 1 202 MET QB . . 3.750 3.366 2.901 4.111 0.361 7 0 "[ . 1 . ]" 1
922 1 116 TRP HH2 1 202 MET HB2 . . 4.480 3.834 3.267 4.407 . 0 0 "[ . 1 . ]" 1
923 1 116 TRP HH2 1 202 MET HB3 . . 4.480 3.822 3.103 4.918 0.438 7 0 "[ . 1 . ]" 1
924 1 116 TRP HH2 1 202 MET ME . . 3.690 2.514 2.284 2.950 . 0 0 "[ . 1 . ]" 1
925 1 116 TRP HZ2 1 193 THR MG . . 4.110 3.446 2.506 4.403 0.293 2 0 "[ . 1 . ]" 1
926 1 116 TRP HZ2 1 197 GLY H . . 4.600 4.181 3.932 4.401 . 0 0 "[ . 1 . ]" 1
927 1 116 TRP HZ2 1 197 GLY QA . . 3.800 2.608 2.449 3.020 . 0 0 "[ . 1 . ]" 1
928 1 116 TRP HZ2 1 197 GLY HA2 . . 4.460 3.540 3.290 4.018 . 0 0 "[ . 1 . ]" 1
929 1 116 TRP HZ2 1 197 GLY HA3 . . 4.460 2.687 2.496 3.122 . 0 0 "[ . 1 . ]" 1
930 1 116 TRP HZ3 1 202 MET ME . . 4.010 2.497 2.392 2.689 . 0 0 "[ . 1 . ]" 1
931 1 116 TRP HZ3 1 234 ILE MD . . 4.600 3.073 2.620 4.097 . 0 0 "[ . 1 . ]" 1
932 1 117 GLY H 1 118 LYS H . . 3.120 2.936 2.804 3.061 . 0 0 "[ . 1 . ]" 1
933 1 117 GLY QA 1 120 ILE H . . 4.260 3.926 3.715 4.152 . 0 0 "[ . 1 . ]" 1
934 1 117 GLY QA 1 120 ILE MD . . 4.920 2.494 2.300 2.850 . 0 0 "[ . 1 . ]" 1
935 1 117 GLY QA 1 120 ILE QG . . 4.020 2.409 2.261 2.612 . 0 0 "[ . 1 . ]" 1
936 1 117 GLY QA 1 120 ILE HG12 . . 4.650 2.730 2.463 2.969 . 0 0 "[ . 1 . ]" 1
937 1 117 GLY QA 1 120 ILE HG13 . . 4.650 2.693 2.486 2.968 . 0 0 "[ . 1 . ]" 1
938 1 117 GLY QA 1 120 ILE MG . . 4.180 4.591 4.359 4.839 0.659 4 3 "[ +* - 1 . ]" 1
939 1 117 GLY QA 1 122 LEU H . . 4.820 4.961 4.682 5.326 0.506 10 1 "[ . + . ]" 1
940 1 117 GLY QA 1 119 GLU H . . 4.220 3.688 3.475 3.872 . 0 0 "[ . 1 . ]" 1
941 1 117 GLY QA 1 124 PHE QE . . 4.290 2.360 2.241 2.684 . 0 0 "[ . 1 . ]" 1
942 1 118 LYS H 1 118 LYS QB . . 3.150 2.445 2.387 2.522 . 0 0 "[ . 1 . ]" 1
943 1 118 LYS H 1 118 LYS HB2 . . 3.600 2.850 2.421 3.720 0.120 3 0 "[ . 1 . ]" 1
944 1 118 LYS H 1 118 LYS HB3 . . 3.600 3.293 2.473 3.674 0.074 4 0 "[ . 1 . ]" 1
945 1 118 LYS H 1 118 LYS QE . . 3.940 3.863 3.169 4.522 0.582 7 1 "[ . + 1 . ]" 1
946 1 118 LYS H 1 118 LYS HE2 . . 4.530 4.583 3.471 5.410 0.880 7 1 "[ . + 1 . ]" 1
947 1 118 LYS H 1 118 LYS HE3 . . 4.530 4.186 3.456 4.848 0.318 7 0 "[ . 1 . ]" 1
948 1 118 LYS H 1 118 LYS QG . . 3.510 2.404 2.339 2.466 . 0 0 "[ . 1 . ]" 1
949 1 118 LYS H 1 118 LYS HG2 . . 4.010 2.675 2.368 3.743 . 0 0 "[ . 1 . ]" 1
950 1 118 LYS H 1 118 LYS HG3 . . 4.010 3.257 2.392 3.830 . 0 0 "[ . 1 . ]" 1
951 1 118 LYS H 1 119 GLU H . . 3.310 2.855 2.693 2.949 . 0 0 "[ . 1 . ]" 1
952 1 118 LYS H 1 120 ILE H . . 4.590 4.604 4.441 4.757 0.167 9 0 "[ . 1 . ]" 1
953 1 118 LYS HA 1 118 LYS QE . . 4.380 3.341 2.140 4.651 0.271 14 0 "[ . 1 . ]" 1
954 1 118 LYS HA 1 118 LYS HE2 . . 5.100 3.781 2.382 5.478 0.378 14 0 "[ . 1 . ]" 1
955 1 118 LYS HA 1 118 LYS HE3 . . 5.100 3.790 2.408 5.143 0.043 16 0 "[ . 1 . ]" 1
956 1 118 LYS QB 1 118 LYS QE . . 1.800 2.296 2.133 2.462 0.662 6 7 "[** -+ **1 * . ]" 1
957 1 119 GLU H 1 119 GLU QB . . 3.660 2.460 2.273 2.602 . 0 0 "[ . 1 . ]" 1
958 1 119 GLU H 1 120 ILE H . . 2.830 2.859 2.649 3.189 0.359 5 0 "[ . 1 . ]" 1
959 1 119 GLU H 1 120 ILE MD . . 4.500 4.405 4.128 4.932 0.432 11 0 "[ . 1 . ]" 1
960 1 119 GLU H 1 120 ILE QG . . 3.740 3.014 2.700 3.512 . 0 0 "[ . 1 . ]" 1
961 1 119 GLU H 1 120 ILE MG . . 4.830 4.214 3.759 4.693 . 0 0 "[ . 1 . ]" 1
962 1 119 GLU H 1 231 ILE MG . . 4.870 5.493 5.158 5.730 0.860 11 14 [****.*-***+***.*] 1
963 1 119 GLU QB 1 120 ILE H . . 4.190 3.850 3.648 4.176 . 0 0 "[ . 1 . ]" 1
964 1 119 GLU QB 1 120 ILE MG . . 4.230 3.093 2.553 3.902 . 0 0 "[ . 1 . ]" 1
965 1 119 GLU HB2 1 120 ILE H . . 4.850 4.187 3.837 4.758 . 0 0 "[ . 1 . ]" 1
966 1 119 GLU HB3 1 120 ILE H . . 4.850 4.551 4.370 4.633 . 0 0 "[ . 1 . ]" 1
967 1 120 ILE H 1 120 ILE MD . . 4.030 4.083 3.985 4.247 0.217 2 0 "[ . 1 . ]" 1
968 1 120 ILE H 1 120 ILE QG . . 3.130 2.340 2.230 2.485 . 0 0 "[ . 1 . ]" 1
969 1 120 ILE H 1 120 ILE MG . . 3.700 3.522 3.237 3.751 0.051 5 0 "[ . 1 . ]" 1
970 1 120 ILE H 1 121 PRO HD2 . . 4.890 4.906 4.842 4.991 0.101 11 0 "[ . 1 . ]" 1
971 1 120 ILE H 1 121 PRO HD3 . . 5.060 4.953 4.872 5.058 . 0 0 "[ . 1 . ]" 1
972 1 120 ILE H 1 122 LEU H . . 4.310 4.569 4.267 4.881 0.571 2 1 "[ + . 1 . ]" 1
973 1 120 ILE HA 1 121 PRO HD3 . . 3.880 2.493 2.417 2.594 . 0 0 "[ . 1 . ]" 1
974 1 120 ILE HB 1 121 PRO HD2 . . 3.640 2.277 2.205 2.346 . 0 0 "[ . 1 . ]" 1
975 1 120 ILE HB 1 121 PRO HD3 . . 3.810 3.702 3.534 3.792 . 0 0 "[ . 1 . ]" 1
976 1 120 ILE HB 1 121 PRO QG . . 4.200 3.679 3.513 3.930 . 0 0 "[ . 1 . ]" 1
977 1 120 ILE HB 1 122 LEU H . . 3.920 2.503 2.317 2.782 . 0 0 "[ . 1 . ]" 1
978 1 120 ILE HB 1 238 TYR QB . . 4.130 3.660 3.227 4.007 . 0 0 "[ . 1 . ]" 1
979 1 120 ILE MD 1 121 PRO HD2 . . 4.470 4.320 4.164 4.418 . 0 0 "[ . 1 . ]" 1
980 1 120 ILE MD 1 122 LEU H . . 3.680 3.489 3.242 3.803 0.123 2 0 "[ . 1 . ]" 1
981 1 120 ILE MD 1 122 LEU QB . . 4.550 2.607 2.351 2.976 . 0 0 "[ . 1 . ]" 1
982 1 120 ILE MD 1 124 PHE QE . . 3.680 3.237 2.554 4.211 0.531 3 1 "[ + . 1 . ]" 1
983 1 120 ILE MD 1 202 MET ME . . 5.430 5.729 5.231 6.203 0.773 10 3 "[ . + -.*]" 1
984 1 120 ILE MD 1 234 ILE MD . . 3.780 2.204 2.120 2.394 . 0 0 "[ . 1 . ]" 1
985 1 120 ILE MD 1 234 ILE QG . . 4.370 3.246 2.647 3.628 . 0 0 "[ . 1 . ]" 1
986 1 120 ILE MD 1 234 ILE HG12 . . 4.270 3.366 2.702 3.791 . 0 0 "[ . 1 . ]" 1
987 1 120 ILE MD 1 234 ILE HG13 . . 5.250 4.290 3.792 4.629 . 0 0 "[ . 1 . ]" 1
988 1 120 ILE MD 1 234 ILE MG . . 5.640 3.448 3.064 3.898 . 0 0 "[ . 1 . ]" 1
989 1 120 ILE MD 1 238 TYR QB . . 4.650 4.565 4.097 4.921 0.271 6 0 "[ . 1 . ]" 1
990 1 120 ILE MD 1 238 TYR QD . . 4.670 4.053 3.512 4.496 . 0 0 "[ . 1 . ]" 1
991 1 120 ILE MD 1 238 TYR QE . . 4.660 3.545 3.023 3.990 . 0 0 "[ . 1 . ]" 1
992 1 120 ILE QG 1 122 LEU H . . 4.120 2.749 2.591 3.077 . 0 0 "[ . 1 . ]" 1
993 1 120 ILE MD 1 120 ILE MG . . 3.460 2.103 2.084 2.126 . 0 0 "[ . 1 . ]" 1
994 1 120 ILE MG 1 121 PRO HD2 . . 4.410 2.899 2.556 3.368 . 0 0 "[ . 1 . ]" 1
995 1 120 ILE MG 1 121 PRO HD3 . . 4.570 3.757 3.395 4.046 . 0 0 "[ . 1 . ]" 1
996 1 120 ILE MG 1 122 LEU H . . 4.250 4.170 4.004 4.397 0.147 7 0 "[ . 1 . ]" 1
997 1 120 ILE MG 1 122 LEU QB . . 5.060 4.537 4.185 4.872 . 0 0 "[ . 1 . ]" 1
998 1 120 ILE MG 1 234 ILE MD . . 4.860 2.545 2.144 3.067 . 0 0 "[ . 1 . ]" 1
999 1 120 ILE MG 1 234 ILE HG12 . . 4.520 2.208 2.110 2.287 . 0 0 "[ . 1 . ]" 1
1000 1 120 ILE MG 1 234 ILE MG . . 3.820 2.172 2.009 2.360 . 0 0 "[ . 1 . ]" 1
1001 1 120 ILE MG 1 235 GLN QG . . 5.250 4.614 2.368 5.567 0.317 2 0 "[ . 1 . ]" 1
1002 1 120 ILE MG 1 238 TYR H . . 4.930 4.359 3.986 4.995 0.065 7 0 "[ . 1 . ]" 1
1003 1 120 ILE MG 1 238 TYR QB . . 3.720 2.794 2.289 3.656 . 0 0 "[ . 1 . ]" 1
1004 1 120 ILE MG 1 238 TYR HB2 . . 4.260 2.886 2.367 3.786 . 0 0 "[ . 1 . ]" 1
1005 1 120 ILE MG 1 238 TYR HB3 . . 4.260 3.742 3.044 4.826 0.566 7 1 "[ . + 1 . ]" 1
1006 1 120 ILE MG 1 238 TYR QD . . 4.330 3.059 2.639 3.859 . 0 0 "[ . 1 . ]" 1
1007 1 121 PRO QB 1 122 LEU H . . 4.120 3.819 3.615 4.035 . 0 0 "[ . 1 . ]" 1
1008 1 121 PRO HD2 1 122 LEU H . . 4.370 3.178 2.919 3.425 . 0 0 "[ . 1 . ]" 1
1009 1 121 PRO HD2 1 238 TYR QB . . 4.100 2.565 2.256 3.027 . 0 0 "[ . 1 . ]" 1
1010 1 122 LEU H 1 122 LEU QB . . 3.400 2.439 2.309 2.547 . 0 0 "[ . 1 . ]" 1
1011 1 122 LEU H 1 122 LEU HB2 . . 3.680 2.476 2.336 2.596 . 0 0 "[ . 1 . ]" 1
1012 1 122 LEU H 1 122 LEU HB3 . . 3.680 3.672 3.633 3.698 0.018 12 0 "[ . 1 . ]" 1
1013 1 122 LEU H 1 122 LEU HG . . 3.950 2.648 2.426 2.962 . 0 0 "[ . 1 . ]" 1
1014 1 122 LEU H 1 123 HIS H . . 4.590 4.700 4.677 4.720 0.130 6 0 "[ . 1 . ]" 1
1015 1 122 LEU HA 1 123 HIS H . . 3.360 2.417 2.363 2.450 . 0 0 "[ . 1 . ]" 1
1016 1 122 LEU QB 1 123 HIS H . . 3.680 2.387 2.285 2.490 . 0 0 "[ . 1 . ]" 1
1017 1 122 LEU QB 1 238 TYR QE . . 4.220 4.535 4.228 4.785 0.565 10 2 "[ - + . ]" 1
1018 1 122 LEU HB2 1 123 HIS H . . 4.430 3.756 3.630 3.886 . 0 0 "[ . 1 . ]" 1
1019 1 122 LEU HB3 1 123 HIS H . . 4.430 2.414 2.309 2.520 . 0 0 "[ . 1 . ]" 1
1020 1 122 LEU HG 1 123 HIS H . . 4.460 4.673 4.191 4.964 0.504 16 1 "[ . 1 .+]" 1
1021 1 123 HIS H 1 123 HIS QB . . 3.320 2.365 2.314 2.406 . 0 0 "[ . 1 . ]" 1
1022 1 123 HIS H 1 123 HIS HB2 . . 3.920 2.786 2.679 2.876 . 0 0 "[ . 1 . ]" 1
1023 1 123 HIS H 1 123 HIS HB3 . . 3.920 2.562 2.461 2.635 . 0 0 "[ . 1 . ]" 1
1024 1 123 HIS HA 1 124 PHE H . . 3.350 2.484 2.379 2.640 . 0 0 "[ . 1 . ]" 1
1025 1 123 HIS QB 1 124 PHE H . . 3.980 3.666 3.395 4.102 0.122 4 0 "[ . 1 . ]" 1
1026 1 124 PHE H 1 124 PHE QB . . 3.080 2.645 2.505 2.841 . 0 0 "[ . 1 . ]" 1
1027 1 124 PHE H 1 124 PHE HB2 . . 3.560 2.698 2.546 2.910 . 0 0 "[ . 1 . ]" 1
1028 1 124 PHE H 1 124 PHE HB3 . . 3.560 3.816 3.719 3.973 0.413 3 0 "[ . 1 . ]" 1
1029 1 124 PHE H 1 124 PHE QD . . 3.610 3.291 2.748 3.880 0.270 13 0 "[ . 1 . ]" 1
1030 1 124 PHE HA 1 124 PHE QD . . 3.960 2.739 2.270 3.237 . 0 0 "[ . 1 . ]" 1
1031 1 124 PHE HA 1 125 ARG H . . 3.550 2.383 2.346 2.440 . 0 0 "[ . 1 . ]" 1
1032 1 124 PHE QB 1 125 ARG H . . 3.670 2.670 2.452 2.868 . 0 0 "[ . 1 . ]" 1
1033 1 124 PHE QD 1 125 ARG H . . 3.980 3.921 3.254 4.403 0.423 11 0 "[ . 1 . ]" 1
1034 1 125 ARG H 1 125 ARG QB . . 3.220 2.378 2.335 2.440 . 0 0 "[ . 1 . ]" 1
1035 1 125 ARG H 1 125 ARG HB2 . . 3.840 2.969 2.658 3.203 . 0 0 "[ . 1 . ]" 1
1036 1 125 ARG H 1 125 ARG HB3 . . 3.840 2.525 2.432 2.768 . 0 0 "[ . 1 . ]" 1
1037 1 125 ARG QB 1 125 ARG QD . . 1.800 2.389 2.283 2.458 0.658 8 14 "[*** ***+******.-]" 1
1038 1 125 ARG QB 1 126 LYS H . . 3.610 3.654 3.406 3.848 0.238 14 0 "[ . 1 . ]" 1
1039 1 125 ARG HB2 1 126 LYS H . . 4.180 4.252 4.128 4.363 0.183 14 0 "[ . 1 . ]" 1
1040 1 125 ARG HB3 1 126 LYS H . . 4.180 4.001 3.576 4.280 0.100 14 0 "[ . 1 . ]" 1
1041 1 125 ARG HE 1 126 LYS H . . 3.860 2.961 2.401 3.391 . 0 0 "[ . 1 . ]" 1
1042 1 125 ARG QG 1 126 LYS H . . 3.640 2.562 2.358 2.900 . 0 0 "[ . 1 . ]" 1
1043 1 125 ARG HG2 1 126 LYS H . . 4.290 4.245 4.022 4.564 0.274 14 0 "[ . 1 . ]" 1
1044 1 125 ARG HG3 1 126 LYS H . . 3.130 2.583 2.375 2.933 . 0 0 "[ . 1 . ]" 1
1045 1 126 LYS H 1 126 LYS HB2 . . 3.130 2.866 2.512 3.610 0.480 16 0 "[ . 1 . ]" 1
1046 1 126 LYS H 1 126 LYS HB3 . . 3.130 2.497 2.271 2.748 . 0 0 "[ . 1 . ]" 1
1047 1 126 LYS HA 1 127 VAL H . . 3.360 2.370 2.292 2.465 . 0 0 "[ . 1 . ]" 1
1048 1 126 LYS QD 1 127 VAL H . . 3.960 2.309 2.228 2.447 . 0 0 "[ . 1 . ]" 1
1049 1 126 LYS QD 1 127 VAL HB . . 4.630 4.807 4.523 5.039 0.409 6 0 "[ . 1 . ]" 1
1050 1 126 LYS HD2 1 127 VAL H . . 4.610 3.287 2.429 4.192 . 0 0 "[ . 1 . ]" 1
1051 1 126 LYS HD2 1 127 VAL HB . . 5.460 5.782 5.246 6.446 0.986 10 6 "[ - ** *+ .*]" 1
1052 1 126 LYS HD3 1 127 VAL H . . 4.610 2.430 2.279 2.844 . 0 0 "[ . 1 . ]" 1
1053 1 126 LYS HD3 1 127 VAL HB . . 5.460 5.230 4.841 6.212 0.752 2 1 "[ + . 1 . ]" 1
1054 1 126 LYS QG 1 127 VAL H . . 4.080 3.042 2.345 3.973 . 0 0 "[ . 1 . ]" 1
1055 1 126 LYS HG2 1 127 VAL H . . 4.680 3.396 2.366 4.982 0.302 10 0 "[ . 1 . ]" 1
1056 1 126 LYS HG3 1 127 VAL H . . 4.680 4.081 3.642 4.467 . 0 0 "[ . 1 . ]" 1
1057 1 127 VAL H 1 127 VAL HB . . 3.580 3.724 3.693 3.790 0.210 16 0 "[ . 1 . ]" 1
1058 1 127 VAL H 1 128 VAL H . . 4.680 4.546 4.373 4.673 . 0 0 "[ . 1 . ]" 1
1059 1 127 VAL HA 1 129 TRP HD1 . . 4.710 5.426 5.088 5.787 1.077 16 13 "[* ********- * *+]" 1
1060 1 127 VAL HB 1 128 VAL H . . 4.620 3.316 2.507 3.724 . 0 0 "[ . 1 . ]" 1
1061 1 128 VAL H 1 128 VAL HB . . 3.990 3.714 3.644 3.854 . 0 0 "[ . 1 . ]" 1
1062 1 128 VAL H 1 129 TRP H . . 3.160 2.231 2.161 2.263 . 0 0 "[ . 1 . ]" 1
1063 1 128 VAL H 1 129 TRP QB . . 4.730 4.899 4.746 5.031 0.301 7 0 "[ . 1 . ]" 1
1064 1 128 VAL H 1 129 TRP HB2 . . 5.500 5.416 5.184 5.587 0.087 7 0 "[ . 1 . ]" 1
1065 1 128 VAL H 1 129 TRP HB3 . . 5.500 5.596 5.430 5.805 0.305 6 0 "[ . 1 . ]" 1
1066 1 128 VAL HB 1 129 TRP H . . 4.320 3.924 2.926 4.395 0.075 14 0 "[ . 1 . ]" 1
1067 1 128 VAL HB 1 129 TRP HD1 . . 4.550 4.981 4.782 5.124 0.574 15 6 "[* - 1** *+ ]" 1
1068 1 129 TRP H 1 129 TRP QB . . 3.350 3.367 3.088 3.545 0.195 14 0 "[ . 1 . ]" 1
1069 1 129 TRP H 1 129 TRP HB2 . . 3.920 3.670 3.338 3.899 . 0 0 "[ . 1 . ]" 1
1070 1 129 TRP H 1 129 TRP HB3 . . 3.920 3.919 3.641 4.078 0.158 13 0 "[ . 1 . ]" 1
1071 1 129 TRP H 1 129 TRP HD1 . . 4.830 3.107 2.629 3.391 . 0 0 "[ . 1 . ]" 1
1072 1 129 TRP QB 1 129 TRP HD1 . . 3.390 2.758 2.685 2.807 . 0 0 "[ . 1 . ]" 1
1073 1 129 TRP QB 1 129 TRP HE3 . . 3.630 2.522 2.483 2.590 . 0 0 "[ . 1 . ]" 1
1074 1 129 TRP QB 1 130 GLY H . . 3.580 3.767 3.663 3.862 0.282 4 0 "[ . 1 . ]" 1
1075 1 129 TRP HB2 1 129 TRP HE3 . . 4.190 4.097 4.039 4.189 . 0 0 "[ . 1 . ]" 1
1076 1 129 TRP HB2 1 130 GLY H . . 4.200 4.153 4.035 4.272 0.072 2 0 "[ . 1 . ]" 1
1077 1 129 TRP HB3 1 129 TRP HE3 . . 4.190 2.545 2.506 2.615 . 0 0 "[ . 1 . ]" 1
1078 1 129 TRP HB3 1 130 GLY H . . 4.200 4.315 4.198 4.438 0.238 4 0 "[ . 1 . ]" 1
1079 1 131 THR H 1 131 THR HB . . 3.890 3.347 2.502 3.690 . 0 0 "[ . 1 . ]" 1
1080 1 131 THR HA 1 132 ALA H . . 3.050 2.608 2.451 2.823 . 0 0 "[ . 1 . ]" 1
1081 1 131 THR HA 1 135 MET ME . . 3.960 3.754 3.382 3.983 0.023 15 0 "[ . 1 . ]" 1
1082 1 131 THR HB 1 132 ALA H . . 4.000 2.597 2.339 3.902 . 0 0 "[ . 1 . ]" 1
1083 1 131 THR MG 1 132 ALA H . . 3.960 3.084 2.231 3.827 . 0 0 "[ . 1 . ]" 1
1084 1 131 THR MG 1 135 MET ME . . 3.900 3.160 2.610 4.174 0.274 8 0 "[ . 1 . ]" 1
1085 1 132 ALA H 1 132 ALA MB . . 3.480 2.421 2.322 2.578 . 0 0 "[ . 1 . ]" 1
1086 1 132 ALA H 1 135 MET ME . . 3.580 3.278 2.341 3.523 . 0 0 "[ . 1 . ]" 1
1087 1 132 ALA MB 1 133 ASP H . . 3.520 2.376 2.305 2.457 . 0 0 "[ . 1 . ]" 1
1088 1 132 ALA MB 1 134 ILE H . . 3.610 3.087 2.848 3.324 . 0 0 "[ . 1 . ]" 1
1089 1 133 ASP H 1 133 ASP QB . . 3.540 2.526 2.424 2.600 . 0 0 "[ . 1 . ]" 1
1090 1 133 ASP H 1 134 ILE H . . 2.970 2.613 2.461 2.806 . 0 0 "[ . 1 . ]" 1
1091 1 133 ASP QB 1 134 ILE H . . 3.630 2.446 2.372 2.589 . 0 0 "[ . 1 . ]" 1
1092 1 133 ASP QB 1 134 ILE MD . . 4.960 2.986 2.091 4.227 . 0 0 "[ . 1 . ]" 1
1093 1 134 ILE H 1 134 ILE HB . . 3.560 2.653 2.397 2.903 . 0 0 "[ . 1 . ]" 1
1094 1 134 ILE H 1 134 ILE MD . . 3.790 3.126 2.208 3.890 0.100 7 0 "[ . 1 . ]" 1
1095 1 134 ILE H 1 134 ILE HG12 . . 4.470 3.368 2.289 4.262 . 0 0 "[ . 1 . ]" 1
1096 1 134 ILE H 1 135 MET H . . 4.590 4.414 3.834 4.648 0.058 16 0 "[ . 1 . ]" 1
1097 1 134 ILE H 1 135 MET HA . . 5.500 5.023 4.661 5.216 . 0 0 "[ . 1 . ]" 1
1098 1 134 ILE H 1 136 ILE MD . . 4.840 5.074 4.743 5.447 0.607 8 2 "[ - . + 1 . ]" 1
1099 1 134 ILE HA 1 134 ILE MD . . 4.440 3.247 2.289 3.995 . 0 0 "[ . 1 . ]" 1
1100 1 134 ILE HA 1 135 MET H . . 3.420 2.371 2.307 2.428 . 0 0 "[ . 1 . ]" 1
1101 1 134 ILE HB 1 136 ILE MD . . 3.930 3.024 2.632 3.597 . 0 0 "[ . 1 . ]" 1
1102 1 134 ILE MD 1 135 MET H . . 5.030 4.931 4.225 5.479 0.449 7 0 "[ . 1 . ]" 1
1103 1 134 ILE MD 1 170 ALA H . . 6.000 5.507 5.117 6.117 0.117 2 0 "[ . 1 . ]" 1
1104 1 134 ILE MG 1 135 MET H . . 3.920 2.892 2.313 3.813 . 0 0 "[ . 1 . ]" 1
1105 1 134 ILE MG 1 169 ASP H . . 5.250 4.543 4.070 4.941 . 0 0 "[ . 1 . ]" 1
1106 1 135 MET H 1 135 MET QB . . 3.080 2.527 2.392 2.590 . 0 0 "[ . 1 . ]" 1
1107 1 135 MET H 1 135 MET HB2 . . 3.520 2.573 2.427 2.643 . 0 0 "[ . 1 . ]" 1
1108 1 135 MET H 1 135 MET HB3 . . 4.100 3.704 3.624 3.758 . 0 0 "[ . 1 . ]" 1
1109 1 135 MET H 1 135 MET ME . . 5.090 4.682 3.859 4.887 . 0 0 "[ . 1 . ]" 1
1110 1 135 MET H 1 135 MET QG . . 3.610 2.595 2.323 2.845 . 0 0 "[ . 1 . ]" 1
1111 1 135 MET H 1 136 ILE H . . 4.580 4.571 4.340 4.738 0.158 5 0 "[ . 1 . ]" 1
1112 1 135 MET H 1 136 ILE MD . . 4.230 3.971 3.540 4.376 0.146 1 0 "[ . 1 . ]" 1
1113 1 135 MET H 1 170 ALA H . . 3.880 3.304 2.766 3.867 . 0 0 "[ . 1 . ]" 1
1114 1 135 MET HA 1 136 ILE H . . 3.330 2.387 2.315 2.422 . 0 0 "[ . 1 . ]" 1
1115 1 135 MET QB 1 135 MET ME . . 3.320 2.354 2.255 3.095 . 0 0 "[ . 1 . ]" 1
1116 1 135 MET HB2 1 136 ILE H . . 4.380 4.169 4.062 4.459 0.079 10 0 "[ . 1 . ]" 1
1117 1 135 MET HB3 1 136 ILE H . . 4.380 3.267 3.100 3.778 . 0 0 "[ . 1 . ]" 1
1118 1 136 ILE H 1 136 ILE HB . . 3.170 2.856 2.690 3.000 . 0 0 "[ . 1 . ]" 1
1119 1 136 ILE H 1 136 ILE MD . . 3.560 3.405 3.112 3.524 . 0 0 "[ . 1 . ]" 1
1120 1 136 ILE H 1 136 ILE QG . . 3.310 2.457 2.338 2.531 . 0 0 "[ . 1 . ]" 1
1121 1 136 ILE H 1 136 ILE MG . . 4.520 3.974 3.937 4.017 . 0 0 "[ . 1 . ]" 1
1122 1 136 ILE H 1 137 GLY H . . 4.310 4.204 3.903 4.343 0.033 4 0 "[ . 1 . ]" 1
1123 1 136 ILE HA 1 136 ILE MD . . 4.280 2.410 2.329 2.550 . 0 0 "[ . 1 . ]" 1
1124 1 136 ILE HA 1 137 GLY H . . 3.460 2.373 2.338 2.401 . 0 0 "[ . 1 . ]" 1
1125 1 136 ILE HA 1 170 ALA H . . 3.890 3.336 3.183 3.633 . 0 0 "[ . 1 . ]" 1
1126 1 136 ILE HB 1 136 ILE MD . . 3.260 3.280 3.251 3.306 0.046 8 0 "[ . 1 . ]" 1
1127 1 136 ILE HB 1 137 GLY H . . 4.470 4.389 4.282 4.516 0.046 16 0 "[ . 1 . ]" 1
1128 1 136 ILE MD 1 137 GLY H . . 4.290 4.475 4.368 4.593 0.303 15 0 "[ . 1 . ]" 1
1129 1 136 ILE MD 1 170 ALA H . . 4.020 2.963 2.749 3.179 . 0 0 "[ . 1 . ]" 1
1130 1 136 ILE MD 1 172 PHE QE . . 4.650 3.615 3.369 3.918 . 0 0 "[ . 1 . ]" 1
1131 1 136 ILE MG 1 137 GLY H . . 3.630 3.250 2.993 3.678 0.048 16 0 "[ . 1 . ]" 1
1132 1 136 ILE MG 1 170 ALA H . . 4.480 4.475 4.236 4.799 0.319 8 0 "[ . 1 . ]" 1
1133 1 136 ILE MG 1 172 PHE QE . . 3.260 2.232 2.156 2.299 . 0 0 "[ . 1 . ]" 1
1134 1 136 ILE MG 1 192 ALA HA . . 5.980 5.277 4.639 5.617 . 0 0 "[ . 1 . ]" 1
1135 1 137 GLY H 1 138 PHE H . . 4.540 4.540 4.481 4.586 0.046 5 0 "[ . 1 . ]" 1
1136 1 137 GLY H 1 170 ALA H . . 4.440 4.543 4.167 4.760 0.320 14 0 "[ . 1 . ]" 1
1137 1 137 GLY H 1 171 HIS HA . . 3.800 2.574 2.344 2.804 . 0 0 "[ . 1 . ]" 1
1138 1 137 GLY H 1 171 HIS HD2 . . 3.920 2.697 2.476 3.275 . 0 0 "[ . 1 . ]" 1
1139 1 137 GLY H 1 172 PHE QD . . 3.910 3.667 3.282 3.909 . 0 0 "[ . 1 . ]" 1
1140 1 138 PHE H 1 138 PHE QB . . 3.290 2.515 2.412 3.160 . 0 0 "[ . 1 . ]" 1
1141 1 138 PHE H 1 138 PHE HB2 . . 3.940 2.596 2.452 3.861 . 0 0 "[ . 1 . ]" 1
1142 1 138 PHE H 1 138 PHE HB3 . . 3.940 3.673 3.355 3.805 . 0 0 "[ . 1 . ]" 1
1143 1 138 PHE H 1 138 PHE QD . . 3.440 2.720 2.547 3.687 0.247 12 0 "[ . 1 . ]" 1
1144 1 138 PHE H 1 139 ALA H . . 4.690 4.421 4.248 4.519 . 0 0 "[ . 1 . ]" 1
1145 1 138 PHE HA 1 172 PHE H . . 4.190 2.766 2.380 3.028 . 0 0 "[ . 1 . ]" 1
1146 1 138 PHE QB 1 139 ALA H . . 4.210 3.384 3.202 3.667 . 0 0 "[ . 1 . ]" 1
1147 1 138 PHE HB2 1 139 ALA H . . 5.000 4.381 3.516 4.609 . 0 0 "[ . 1 . ]" 1
1148 1 138 PHE HB3 1 139 ALA H . . 5.000 3.567 3.297 4.397 . 0 0 "[ . 1 . ]" 1
1149 1 138 PHE QD 1 139 ALA H . . 4.200 4.300 2.953 4.609 0.409 16 0 "[ . 1 . ]" 1
1150 1 138 PHE QD 1 172 PHE QB . . 4.350 3.027 2.437 4.079 . 0 0 "[ . 1 . ]" 1
1151 1 138 PHE QD 1 178 TRP HE1 . . 4.360 3.693 3.172 4.871 0.511 16 1 "[ . 1 .+]" 1
1152 1 138 PHE QD 1 188 PHE QE . . 4.160 4.307 4.070 4.545 0.385 3 0 "[ . 1 . ]" 1
1153 1 139 ALA H 1 172 PHE H . . 3.760 3.124 2.706 3.492 . 0 0 "[ . 1 . ]" 1
1154 1 139 ALA H 1 173 ASP HA . . 4.360 3.769 3.631 4.017 . 0 0 "[ . 1 . ]" 1
1155 1 139 ALA H 1 174 GLU H . . 2.930 2.749 2.597 2.924 . 0 0 "[ . 1 . ]" 1
1156 1 139 ALA H 1 174 GLU QB . . 3.860 3.040 2.783 3.257 . 0 0 "[ . 1 . ]" 1
1157 1 139 ALA H 1 174 GLU HB2 . . 4.450 4.066 2.816 5.050 0.600 16 1 "[ . 1 .+]" 1
1158 1 139 ALA H 1 174 GLU HB3 . . 4.450 3.726 2.958 4.723 0.273 10 0 "[ . 1 . ]" 1
1159 1 139 ALA H 1 174 GLU QG . . 3.480 4.201 3.772 4.769 1.289 10 9 "[** *- **+** . ]" 1
1160 1 139 ALA HA 1 140 ARG QG . . 4.140 4.142 3.733 4.690 0.550 15 1 "[ . 1 + ]" 1
1161 1 139 ALA MB 1 140 ARG H . . 3.430 2.539 2.344 2.936 . 0 0 "[ . 1 . ]" 1
1162 1 139 ALA MB 1 143 HIS H . . 4.410 4.051 3.488 4.255 . 0 0 "[ . 1 . ]" 1
1163 1 139 ALA MB 1 143 HIS QB . . 4.280 2.105 2.064 2.170 . 0 0 "[ . 1 . ]" 1
1164 1 139 ALA MB 1 143 HIS HB2 . . 4.840 2.656 2.523 2.936 . 0 0 "[ . 1 . ]" 1
1165 1 139 ALA MB 1 143 HIS HB3 . . 4.840 2.212 2.130 2.351 . 0 0 "[ . 1 . ]" 1
1166 1 139 ALA MB 1 143 HIS HD2 . . 4.880 2.773 2.519 3.611 . 0 0 "[ . 1 . ]" 1
1167 1 139 ALA MB 1 174 GLU H . . 5.230 4.581 4.388 4.742 . 0 0 "[ . 1 . ]" 1
1168 1 140 ARG H 1 140 ARG QB . . 3.340 2.496 2.303 3.029 . 0 0 "[ . 1 . ]" 1
1169 1 140 ARG H 1 140 ARG QG . . 3.770 3.000 2.180 3.690 . 0 0 "[ . 1 . ]" 1
1170 1 140 ARG H 1 174 GLU H . . 5.500 4.701 4.113 5.250 . 0 0 "[ . 1 . ]" 1
1171 1 140 ARG HA 1 143 HIS HD2 . . 5.500 4.725 4.174 5.324 . 0 0 "[ . 1 . ]" 1
1172 1 140 ARG QB 1 141 GLY H . . 3.690 2.753 2.280 3.087 . 0 0 "[ . 1 . ]" 1
1173 1 140 ARG HB2 1 141 GLY H . . 4.250 3.745 2.746 4.333 0.083 1 0 "[ . 1 . ]" 1
1174 1 140 ARG HB3 1 141 GLY H . . 4.250 3.109 2.307 4.166 . 0 0 "[ . 1 . ]" 1
1175 1 140 ARG QG 1 149 PHE HB3 . . 2.990 2.957 2.380 3.815 0.825 8 1 "[ . + 1 . ]" 1
1176 1 140 ARG HG2 1 149 PHE HB3 . . 3.560 3.396 2.438 4.080 0.520 2 1 "[ + . 1 . ]" 1
1177 1 141 GLY H 1 149 PHE H . . 3.730 3.990 2.885 4.635 0.905 2 8 "[*+ *.* *** - ]" 1
1178 1 141 GLY H 1 149 PHE HB3 . . 4.220 2.661 2.308 3.544 . 0 0 "[ . 1 . ]" 1
1179 1 141 GLY H 1 150 ASP H . . 5.010 5.619 5.033 5.889 0.879 2 11 "[*+ *.** *** - **]" 1
1180 1 142 ALA MB 1 143 HIS H . . 4.310 3.657 2.953 3.839 . 0 0 "[ . 1 . ]" 1
1181 1 142 ALA MB 1 145 ASP H . . 5.380 5.444 5.256 5.855 0.475 3 0 "[ . 1 . ]" 1
1182 1 143 HIS H 1 143 HIS HD1 . . 4.970 4.670 4.451 5.162 0.192 10 0 "[ . 1 . ]" 1
1183 1 143 HIS H 1 145 ASP H . . 4.110 4.209 3.103 4.918 0.808 8 2 "[ . + - . ]" 1
1184 1 143 HIS HE1 1 160 PHE QE . . 4.450 4.848 4.506 5.139 0.689 10 5 "[ * .- + * * ]" 1
1185 1 146 SER QB 1 147 TYR QD . . 4.500 3.874 3.023 4.512 0.012 14 0 "[ . 1 . ]" 1
1186 1 147 TYR H 1 147 TYR QB . . 3.390 3.254 3.118 3.580 0.190 9 0 "[ . 1 . ]" 1
1187 1 147 TYR H 1 147 TYR HB2 . . 3.990 3.433 3.254 3.910 . 0 0 "[ . 1 . ]" 1
1188 1 147 TYR H 1 147 TYR HB3 . . 3.990 4.070 3.921 4.209 0.219 12 0 "[ . 1 . ]" 1
1189 1 147 TYR H 1 147 TYR QD . . 3.760 3.735 2.967 4.129 0.369 4 0 "[ . 1 . ]" 1
1190 1 147 TYR H 1 148 PRO QD . . 3.750 3.524 2.904 3.877 0.127 8 0 "[ . 1 . ]" 1
1191 1 147 TYR H 1 148 PRO HD2 . . 4.320 4.417 3.912 4.613 0.293 3 0 "[ . 1 . ]" 1
1192 1 147 TYR H 1 148 PRO HD3 . . 4.320 3.710 2.994 4.171 . 0 0 "[ . 1 . ]" 1
1193 1 147 TYR HA 1 147 TYR QE . . 4.410 4.378 4.102 4.538 0.128 9 0 "[ . 1 . ]" 1
1194 1 147 TYR HA 1 148 PRO QD . . 3.500 2.150 2.119 2.182 . 0 0 "[ . 1 . ]" 1
1195 1 148 PRO QB 1 149 PHE H . . 3.860 2.649 2.494 3.074 . 0 0 "[ . 1 . ]" 1
1196 1 149 PHE H 1 149 PHE HB2 . . 4.180 3.609 2.353 3.727 . 0 0 "[ . 1 . ]" 1
1197 1 149 PHE H 1 150 ASP H . . 3.990 2.749 2.344 2.877 . 0 0 "[ . 1 . ]" 1
1198 1 149 PHE HB2 1 150 ASP H . . 3.860 3.787 3.565 3.977 0.117 8 0 "[ . 1 . ]" 1
1199 1 149 PHE HB2 1 151 GLY H . . 4.780 2.900 2.453 4.279 . 0 0 "[ . 1 . ]" 1
1200 1 149 PHE HB3 1 150 ASP H . . 4.310 4.249 3.182 4.510 0.200 15 0 "[ . 1 . ]" 1
1201 1 150 ASP H 1 151 GLY H . . 2.860 3.424 2.710 3.778 0.918 16 7 "[* - . * ** *.+]" 1
1202 1 150 ASP QB 1 155 THR MG . . 4.250 3.676 2.500 4.419 0.169 6 0 "[ . 1 . ]" 1
1203 1 152 PRO HA 1 153 GLY H . . 3.470 2.630 2.539 2.707 . 0 0 "[ . 1 . ]" 1
1204 1 153 GLY H 1 154 ASN H . . 4.370 4.697 4.643 4.724 0.354 15 0 "[ . 1 . ]" 1
1205 1 153 GLY QA 1 154 ASN H . . 3.050 2.293 2.275 2.315 . 0 0 "[ . 1 . ]" 1
1206 1 154 ASN QB 1 155 THR H . . 3.500 3.000 2.507 3.903 0.403 15 0 "[ . 1 . ]" 1
1207 1 154 ASN HB2 1 155 THR H . . 3.690 3.120 2.541 4.297 0.607 15 1 "[ . 1 + ]" 1
1208 1 154 ASN HB3 1 155 THR H . . 4.080 4.129 3.838 4.503 0.423 12 0 "[ . 1 . ]" 1
1209 1 22 PHE QE 1 155 THR H . . 4.320 3.521 2.493 4.278 . 0 0 "[ . 1 . ]" 1
1210 1 22 PHE HZ 1 155 THR H . . 4.770 4.206 2.933 5.500 0.730 12 1 "[ . 1 + . ]" 1
1211 1 155 THR H 1 155 THR MG . . 4.040 4.059 4.020 4.121 0.081 12 0 "[ . 1 . ]" 1
1212 1 155 THR H 1 156 LEU H . . 4.390 3.580 3.222 3.856 . 0 0 "[ . 1 . ]" 1
1213 1 155 THR HA 1 156 LEU HB2 . . 4.380 4.750 4.491 4.949 0.569 8 2 "[ - . + 1 . ]" 1
1214 1 155 THR HA 1 156 LEU HB3 . . 4.920 4.599 4.446 4.726 . 0 0 "[ . 1 . ]" 1
1215 1 155 THR HA 1 157 ALA H . . 4.010 4.447 4.294 4.668 0.658 10 4 "[ *. + * - ]" 1
1216 1 155 THR HB 1 156 LEU H . . 4.380 4.340 4.102 4.573 0.193 3 0 "[ . 1 . ]" 1
1217 1 155 THR MG 1 156 LEU H . . 4.630 3.160 2.757 3.638 . 0 0 "[ . 1 . ]" 1
1218 1 155 THR MG 1 157 ALA H . . 4.640 3.892 3.564 4.503 . 0 0 "[ . 1 . ]" 1
1219 1 155 THR MG 1 158 HIS HA . . 4.620 4.732 4.592 5.186 0.566 10 1 "[ . + . ]" 1
1220 1 156 LEU H 1 156 LEU HB2 . . 4.070 2.950 2.721 3.199 . 0 0 "[ . 1 . ]" 1
1221 1 156 LEU H 1 156 LEU HB3 . . 3.940 2.405 2.334 2.471 . 0 0 "[ . 1 . ]" 1
1222 1 156 LEU H 1 157 ALA H . . 2.780 2.507 2.360 2.736 . 0 0 "[ . 1 . ]" 1
1223 1 156 LEU QB 1 157 ALA H . . 4.360 2.528 2.391 2.637 . 0 0 "[ . 1 . ]" 1
1224 1 156 LEU QB 1 178 TRP HH2 . . 4.390 4.566 4.329 4.724 0.334 3 0 "[ . 1 . ]" 1
1225 1 156 LEU HB2 1 157 ALA H . . 4.100 3.969 3.863 4.073 . 0 0 "[ . 1 . ]" 1
1226 1 156 LEU HB2 1 186 ILE MG . . 6.000 4.903 4.789 5.099 . 0 0 "[ . 1 . ]" 1
1227 1 156 LEU HB3 1 157 ALA H . . 3.620 2.558 2.414 2.672 . 0 0 "[ . 1 . ]" 1
1228 1 156 LEU HB3 1 178 TRP HH2 . . 4.580 4.970 4.650 5.199 0.619 3 4 "[ -+ . 1 * .*]" 1
1229 1 156 LEU HB3 1 186 ILE MG . . 5.670 5.211 5.086 5.399 . 0 0 "[ . 1 . ]" 1
1230 1 156 LEU HG 1 157 ALA MB . . 5.330 2.700 2.530 3.141 . 0 0 "[ . 1 . ]" 1
1231 1 156 LEU HG 1 178 TRP HZ2 . . 4.630 4.486 4.241 4.879 0.249 6 0 "[ . 1 . ]" 1
1232 1 156 LEU HG 1 178 TRP HZ3 . . 4.180 4.102 3.624 4.325 0.145 2 0 "[ . 1 . ]" 1
1233 1 156 LEU HG 1 186 ILE MD . . 4.470 5.165 4.732 5.485 1.015 10 14 "[***** **+**-***]" 1
1234 1 156 LEU HG 1 186 ILE QG . . 3.680 4.588 4.359 4.802 1.122 10 16 [*****-***+******] 1
1235 1 156 LEU HG 1 186 ILE MG . . 4.640 3.737 3.384 3.936 . 0 0 "[ . 1 . ]" 1
1236 1 157 ALA H 1 158 HIS H . . 4.530 4.254 4.129 4.385 . 0 0 "[ . 1 . ]" 1
1237 1 157 ALA H 1 173 ASP QB . . 4.530 4.632 4.544 4.784 0.254 4 0 "[ . 1 . ]" 1
1238 1 157 ALA H 1 173 ASP HB2 . . 5.220 4.968 4.867 5.164 . 0 0 "[ . 1 . ]" 1
1239 1 157 ALA H 1 173 ASP HB3 . . 5.220 5.539 5.447 5.734 0.514 8 1 "[ . + 1 . ]" 1
1240 1 157 ALA HA 1 173 ASP H . . 4.270 2.490 2.395 2.638 . 0 0 "[ . 1 . ]" 1
1241 1 157 ALA MB 1 158 HIS H . . 3.610 3.303 3.113 3.437 . 0 0 "[ . 1 . ]" 1
1242 1 157 ALA MB 1 172 PHE HA . . 4.860 2.356 2.241 2.476 . 0 0 "[ . 1 . ]" 1
1243 1 157 ALA MB 1 172 PHE QB . . 5.160 3.792 3.615 3.916 . 0 0 "[ . 1 . ]" 1
1244 1 157 ALA MB 1 172 PHE QD . . 3.540 3.495 2.994 3.840 0.300 13 0 "[ . 1 . ]" 1
1245 1 157 ALA MB 1 172 PHE QE . . 5.180 3.967 3.590 4.130 . 0 0 "[ . 1 . ]" 1
1246 1 157 ALA MB 1 178 TRP HH2 . . 4.900 2.372 2.268 2.586 . 0 0 "[ . 1 . ]" 1
1247 1 157 ALA MB 1 195 ALA MB . . 4.870 2.871 2.493 3.104 . 0 0 "[ . 1 . ]" 1
1248 1 158 HIS H 1 158 HIS HD2 . . 4.640 4.397 4.303 4.484 . 0 0 "[ . 1 . ]" 1
1249 1 158 HIS H 1 158 HIS HE1 . . 4.240 4.316 4.261 4.567 0.327 8 0 "[ . 1 . ]" 1
1250 1 158 HIS H 1 159 ALA H . . 4.540 4.617 4.488 4.664 0.124 14 0 "[ . 1 . ]" 1
1251 1 158 HIS H 1 173 ASP H . . 4.480 4.208 4.083 4.310 . 0 0 "[ . 1 . ]" 1
1252 1 158 HIS QB 1 159 ALA H . . 3.780 2.806 2.484 3.532 . 0 0 "[ . 1 . ]" 1
1253 1 158 HIS HB2 1 159 ALA H . . 3.790 2.867 2.516 3.695 . 0 0 "[ . 1 . ]" 1
1254 1 158 HIS HB3 1 159 ALA H . . 4.410 4.048 3.811 4.487 0.077 12 0 "[ . 1 . ]" 1
1255 1 158 HIS HD2 1 171 HIS H . . 4.750 4.528 4.237 4.850 0.100 4 0 "[ . 1 . ]" 1
1256 1 159 ALA H 1 160 PHE H . . 4.600 4.454 4.404 4.603 0.003 12 0 "[ . 1 . ]" 1
1257 1 159 ALA MB 1 160 PHE H . . 3.910 2.502 2.381 2.790 . 0 0 "[ . 1 . ]" 1
1258 1 159 ALA MB 1 170 ALA MB . . 4.350 3.070 2.612 3.429 . 0 0 "[ . 1 . ]" 1
1259 1 159 ALA MB 1 171 HIS H . . 4.460 3.278 2.977 3.676 . 0 0 "[ . 1 . ]" 1
1260 1 159 ALA MB 1 198 HIS H . . 4.380 4.215 3.899 4.403 0.023 11 0 "[ . 1 . ]" 1
1261 1 159 ALA MB 1 198 HIS HB2 . . 4.250 2.371 2.184 2.550 . 0 0 "[ . 1 . ]" 1
1262 1 159 ALA MB 1 198 HIS HB3 . . 5.530 3.029 2.692 3.814 . 0 0 "[ . 1 . ]" 1
1263 1 159 ALA MB 1 198 HIS HD2 . . 4.840 3.245 2.518 3.587 . 0 0 "[ . 1 . ]" 1
1264 1 159 ALA MB 1 199 SER H . . 4.310 3.589 3.225 3.769 . 0 0 "[ . 1 . ]" 1
1265 1 160 PHE H 1 160 PHE HB2 . . 3.550 2.595 2.486 2.749 . 0 0 "[ . 1 . ]" 1
1266 1 160 PHE H 1 160 PHE QD . . 3.390 3.573 3.190 3.792 0.402 12 0 "[ . 1 . ]" 1
1267 1 160 PHE H 1 168 GLY H . . 4.990 4.499 4.064 4.691 . 0 0 "[ . 1 . ]" 1
1268 1 160 PHE H 1 168 GLY HA2 . . 4.290 4.458 4.221 4.748 0.458 4 0 "[ . 1 . ]" 1
1269 1 160 PHE H 1 169 ASP H . . 3.860 4.253 3.040 4.625 0.765 4 8 "[** +* * 1 *- * ]" 1
1270 1 160 PHE H 1 170 ALA MB . . 4.800 4.348 4.204 4.666 . 0 0 "[ . 1 . ]" 1
1271 1 160 PHE H 1 198 HIS HB2 . . 5.120 5.017 4.611 5.414 0.294 10 0 "[ . 1 . ]" 1
1272 1 160 PHE HA 1 161 ALA H . . 3.470 2.453 2.331 2.550 . 0 0 "[ . 1 . ]" 1
1273 1 160 PHE QB 1 169 ASP H . . 4.080 2.526 2.312 2.780 . 0 0 "[ . 1 . ]" 1
1274 1 160 PHE HB2 1 168 GLY H . . 3.240 2.407 2.315 2.700 . 0 0 "[ . 1 . ]" 1
1275 1 160 PHE HB2 1 169 ASP H . . 3.070 2.561 2.329 2.823 . 0 0 "[ . 1 . ]" 1
1276 1 160 PHE HB3 1 161 ALA H . . 3.790 2.497 2.385 2.727 . 0 0 "[ . 1 . ]" 1
1277 1 160 PHE QD 1 161 ALA H . . 4.370 4.135 3.807 4.337 . 0 0 "[ . 1 . ]" 1
1278 1 160 PHE QD 1 168 GLY H . . 4.260 3.871 3.575 4.365 0.105 3 0 "[ . 1 . ]" 1
1279 1 160 PHE QD 1 169 ASP H . . 3.520 2.677 2.395 3.150 . 0 0 "[ . 1 . ]" 1
1280 1 160 PHE QE 1 171 HIS HE1 . . 4.160 3.032 2.640 3.982 . 0 0 "[ . 1 . ]" 1
1281 1 161 ALA H 1 161 ALA MB . . 3.240 2.255 2.218 2.329 . 0 0 "[ . 1 . ]" 1
1282 1 161 ALA H 1 163 GLY H . . 5.010 4.807 4.407 5.115 0.105 14 0 "[ . 1 . ]" 1
1283 1 161 ALA H 1 168 GLY H . . 4.000 3.392 3.052 3.678 . 0 0 "[ . 1 . ]" 1
1284 1 161 ALA HA 1 201 GLY H . . 4.250 3.816 3.329 4.257 0.007 11 0 "[ . 1 . ]" 1
1285 1 161 ALA MB 1 162 PRO HA . . 5.300 4.556 4.459 4.630 . 0 0 "[ . 1 . ]" 1
1286 1 161 ALA MB 1 162 PRO QD . . 3.570 2.190 2.143 2.251 . 0 0 "[ . 1 . ]" 1
1287 1 161 ALA MB 1 163 GLY H . . 4.980 4.312 3.944 4.690 . 0 0 "[ . 1 . ]" 1
1288 1 161 ALA MB 1 201 GLY H . . 4.770 4.384 2.593 5.028 0.258 11 0 "[ . 1 . ]" 1
1289 1 161 ALA MB 1 201 GLY QA . . 4.690 3.601 2.948 4.144 . 0 0 "[ . 1 . ]" 1
1290 1 162 PRO HA 1 163 GLY H . . 3.510 2.459 2.373 2.567 . 0 0 "[ . 1 . ]" 1
1291 1 162 PRO HA 1 168 GLY HA2 . . 3.630 2.750 2.458 3.375 . 0 0 "[ . 1 . ]" 1
1292 1 162 PRO QB 1 163 GLY H . . 4.070 4.032 3.930 4.120 0.050 2 0 "[ . 1 . ]" 1
1293 1 162 PRO QD 1 201 GLY H . . 4.430 2.569 2.311 4.163 . 0 0 "[ . 1 . ]" 1
1294 1 163 GLY H 1 167 GLY H . . 4.850 4.464 3.338 4.945 0.095 2 0 "[ . 1 . ]" 1
1295 1 163 GLY H 1 168 GLY H . . 4.090 3.165 2.626 3.433 . 0 0 "[ . 1 . ]" 1
1296 1 165 GLY H 1 167 GLY H . . 4.240 4.001 2.482 4.836 0.596 15 1 "[ . 1 + ]" 1
1297 1 165 GLY QA 1 167 GLY H . . 4.070 4.266 3.718 4.563 0.493 14 0 "[ . 1 . ]" 1
1298 1 166 LEU HB2 1 167 GLY H . . 3.950 3.849 3.632 3.991 0.041 16 0 "[ . 1 . ]" 1
1299 1 166 LEU HB3 1 167 GLY H . . 3.950 2.601 2.424 2.895 . 0 0 "[ . 1 . ]" 1
1300 1 167 GLY QA 1 169 ASP H . . 3.940 2.926 2.743 3.127 . 0 0 "[ . 1 . ]" 1
1301 1 168 GLY H 1 169 ASP H . . 3.150 2.840 2.600 3.189 0.039 11 0 "[ . 1 . ]" 1
1302 1 170 ALA H 1 170 ALA MB . . 3.660 2.460 2.402 2.517 . 0 0 "[ . 1 . ]" 1
1303 1 170 ALA H 1 171 HIS HD2 . . 4.180 4.099 3.324 4.527 0.347 9 0 "[ . 1 . ]" 1
1304 1 170 ALA MB 1 195 ALA MB . . 4.580 2.597 2.286 2.930 . 0 0 "[ . 1 . ]" 1
1305 1 171 HIS H 1 171 HIS HB2 . . 4.010 2.621 2.555 2.746 . 0 0 "[ . 1 . ]" 1
1306 1 171 HIS H 1 171 HIS HB3 . . 4.010 3.791 3.752 3.842 . 0 0 "[ . 1 . ]" 1
1307 1 171 HIS H 1 171 HIS HD2 . . 4.620 4.189 3.666 4.593 . 0 0 "[ . 1 . ]" 1
1308 1 171 HIS H 1 172 PHE QD . . 4.200 4.293 4.154 4.471 0.271 10 0 "[ . 1 . ]" 1
1309 1 171 HIS HA 1 171 HIS HD2 . . 4.230 2.574 2.493 2.667 . 0 0 "[ . 1 . ]" 1
1310 1 171 HIS HA 1 172 PHE H . . 3.430 2.485 2.455 2.520 . 0 0 "[ . 1 . ]" 1
1311 1 171 HIS HA 1 172 PHE QD . . 4.410 2.816 2.708 2.887 . 0 0 "[ . 1 . ]" 1
1312 1 171 HIS QB 1 172 PHE H . . 4.210 2.427 2.364 2.526 . 0 0 "[ . 1 . ]" 1
1313 1 172 PHE H 1 172 PHE QB . . 3.360 2.586 2.525 2.676 . 0 0 "[ . 1 . ]" 1
1314 1 172 PHE H 1 172 PHE HB2 . . 3.830 2.634 2.570 2.731 . 0 0 "[ . 1 . ]" 1
1315 1 172 PHE H 1 172 PHE HB3 . . 3.830 3.764 3.704 3.836 0.006 4 0 "[ . 1 . ]" 1
1316 1 172 PHE H 1 172 PHE QD . . 3.320 2.924 2.819 3.026 . 0 0 "[ . 1 . ]" 1
1317 1 172 PHE H 1 173 ASP H . . 4.420 4.352 4.298 4.425 0.005 16 0 "[ . 1 . ]" 1
1318 1 172 PHE HA 1 178 TRP HZ2 . . 4.780 3.435 3.279 3.686 . 0 0 "[ . 1 . ]" 1
1319 1 172 PHE QB 1 173 ASP H . . 3.390 3.380 3.112 3.480 0.090 1 0 "[ . 1 . ]" 1
1320 1 172 PHE QB 1 178 TRP HZ2 . . 4.010 2.882 2.679 2.956 . 0 0 "[ . 1 . ]" 1
1321 1 172 PHE HB2 1 173 ASP H . . 4.070 4.475 4.263 4.545 0.475 1 0 "[ . 1 . ]" 1
1322 1 172 PHE HB2 1 178 TRP HZ2 . . 4.760 4.567 4.307 4.649 . 0 0 "[ . 1 . ]" 1
1323 1 172 PHE HB3 1 173 ASP H . . 4.070 3.498 3.199 3.613 . 0 0 "[ . 1 . ]" 1
1324 1 172 PHE HB3 1 178 TRP HZ2 . . 4.760 2.913 2.706 2.989 . 0 0 "[ . 1 . ]" 1
1325 1 172 PHE QD 1 173 ASP H . . 3.970 4.554 4.306 4.667 0.697 2 13 "[*+ -****** ****]" 1
1326 1 172 PHE QD 1 178 TRP HH2 . . 4.540 3.009 2.696 3.294 . 0 0 "[ . 1 . ]" 1
1327 1 172 PHE QD 1 178 TRP HZ2 . . 4.370 3.601 3.306 3.841 . 0 0 "[ . 1 . ]" 1
1328 1 172 PHE QD 1 191 ALA MB . . 4.680 3.731 3.218 3.972 . 0 0 "[ . 1 . ]" 1
1329 1 172 PHE QE 1 191 ALA MB . . 4.090 2.700 2.556 2.876 . 0 0 "[ . 1 . ]" 1
1330 1 172 PHE QE 1 192 ALA H . . 4.340 3.823 3.597 4.227 . 0 0 "[ . 1 . ]" 1
1331 1 172 PHE QE 1 192 ALA HA . . 3.480 3.204 2.900 3.476 . 0 0 "[ . 1 . ]" 1
1332 1 172 PHE QE 1 192 ALA MB . . 4.060 3.600 3.490 3.811 . 0 0 "[ . 1 . ]" 1
1333 1 172 PHE QE 1 195 ALA MB . . 3.730 2.985 2.806 3.149 . 0 0 "[ . 1 . ]" 1
1334 1 173 ASP H 1 174 GLU H . . 4.260 4.445 4.324 4.503 0.243 12 0 "[ . 1 . ]" 1
1335 1 173 ASP H 1 175 ASP H . . 5.170 5.714 5.613 5.860 0.690 10 10 "[** ** *-+** * ]" 1
1336 1 173 ASP H 1 176 GLU H . . 5.320 4.909 4.824 4.964 . 0 0 "[ . 1 . ]" 1
1337 1 173 ASP H 1 178 TRP HE1 . . 4.290 4.327 4.133 4.596 0.306 6 0 "[ . 1 . ]" 1
1338 1 173 ASP H 1 178 TRP HZ2 . . 4.290 2.461 2.339 2.526 . 0 0 "[ . 1 . ]" 1
1339 1 174 GLU H 1 174 GLU QB . . 3.430 2.345 2.242 2.510 . 0 0 "[ . 1 . ]" 1
1340 1 174 GLU H 1 174 GLU HB2 . . 3.980 3.102 2.333 3.709 . 0 0 "[ . 1 . ]" 1
1341 1 174 GLU H 1 174 GLU HB3 . . 3.980 2.607 2.416 2.906 . 0 0 "[ . 1 . ]" 1
1342 1 174 GLU H 1 174 GLU QG . . 4.040 3.118 2.393 4.026 . 0 0 "[ . 1 . ]" 1
1343 1 174 GLU H 1 175 ASP H . . 3.140 2.826 2.724 2.941 . 0 0 "[ . 1 . ]" 1
1344 1 174 GLU H 1 176 GLU H . . 4.180 4.412 4.341 4.531 0.351 13 0 "[ . 1 . ]" 1
1345 1 174 GLU HB2 1 175 ASP H . . 4.300 4.090 3.774 4.212 . 0 0 "[ . 1 . ]" 1
1346 1 174 GLU HB3 1 175 ASP H . . 4.300 3.618 2.772 4.195 . 0 0 "[ . 1 . ]" 1
1347 1 175 ASP H 1 175 ASP QB . . 3.580 2.354 2.218 2.675 . 0 0 "[ . 1 . ]" 1
1348 1 175 ASP H 1 176 GLU H . . 2.970 2.824 2.720 2.943 . 0 0 "[ . 1 . ]" 1
1349 1 175 ASP H 1 178 TRP HE1 . . 4.520 4.763 4.594 4.960 0.440 9 0 "[ . 1 . ]" 1
1350 1 175 ASP QB 1 176 GLU H . . 4.350 2.801 2.649 2.981 . 0 0 "[ . 1 . ]" 1
1351 1 176 GLU H 1 176 GLU QB . . 3.620 2.402 2.367 2.443 . 0 0 "[ . 1 . ]" 1
1352 1 176 GLU H 1 176 GLU QG . . 3.470 2.402 2.315 2.446 . 0 0 "[ . 1 . ]" 1
1353 1 176 GLU H 1 177 ARG H . . 4.570 4.697 4.662 4.741 0.171 13 0 "[ . 1 . ]" 1
1354 1 176 GLU H 1 178 TRP HE1 . . 3.360 3.380 3.025 3.522 0.162 3 0 "[ . 1 . ]" 1
1355 1 176 GLU QB 1 178 TRP HZ2 . . 4.440 2.556 2.429 2.766 . 0 0 "[ . 1 . ]" 1
1356 1 177 ARG H 1 177 ARG QB . . 3.500 2.386 2.284 2.804 . 0 0 "[ . 1 . ]" 1
1357 1 177 ARG H 1 177 ARG QG . . 3.480 2.613 2.224 3.592 0.112 6 0 "[ . 1 . ]" 1
1358 1 177 ARG H 1 177 ARG HG2 . . 4.130 3.701 2.242 3.976 . 0 0 "[ . 1 . ]" 1
1359 1 177 ARG H 1 177 ARG HG3 . . 4.130 2.857 2.418 4.499 0.369 6 0 "[ . 1 . ]" 1
1360 1 177 ARG H 1 186 ILE H . . 4.010 4.630 4.336 5.081 1.071 9 10 "[ * ** *+** * -*]" 1
1361 1 177 ARG H 1 186 ILE MD . . 4.560 4.755 4.483 5.148 0.588 13 2 "[ .- 1 + . ]" 1
1362 1 177 ARG H 1 186 ILE QG . . 4.030 3.434 3.210 3.744 . 0 0 "[ . 1 . ]" 1
1363 1 177 ARG QG 1 178 TRP H . . 4.320 3.922 2.498 4.483 0.163 7 0 "[ . 1 . ]" 1
1364 1 177 ARG HG2 1 178 TRP H . . 4.940 4.315 3.747 4.841 . 0 0 "[ . 1 . ]" 1
1365 1 177 ARG HG3 1 178 TRP H . . 4.940 4.720 2.532 5.291 0.351 7 0 "[ . 1 . ]" 1
1366 1 178 TRP H 1 178 TRP QB . . 3.260 2.689 2.572 2.832 . 0 0 "[ . 1 . ]" 1
1367 1 178 TRP H 1 178 TRP HD1 . . 3.800 3.583 2.966 4.042 0.242 11 0 "[ . 1 . ]" 1
1368 1 178 TRP H 1 178 TRP HE1 . . 5.020 5.490 4.938 5.860 0.840 11 8 "[** - * 1+ ***]" 1
1369 1 178 TRP HA 1 186 ILE H . . 4.620 3.296 2.704 3.662 . 0 0 "[ . 1 . ]" 1
1370 1 178 TRP QB 1 178 TRP HE1 . . 4.510 4.397 4.370 4.429 . 0 0 "[ . 1 . ]" 1
1371 1 178 TRP QB 1 179 THR H . . 4.020 3.251 2.730 3.668 . 0 0 "[ . 1 . ]" 1
1372 1 178 TRP HE3 1 179 THR H . . 4.450 3.865 3.566 4.174 . 0 0 "[ . 1 . ]" 1
1373 1 178 TRP HE3 1 186 ILE HB . . 4.770 2.992 2.751 3.149 . 0 0 "[ . 1 . ]" 1
1374 1 178 TRP HE3 1 188 PHE H . . 4.310 4.402 4.062 4.733 0.423 6 0 "[ . 1 . ]" 1
1375 1 178 TRP HE3 1 188 PHE HB2 . . 4.440 4.149 3.650 4.652 0.212 3 0 "[ . 1 . ]" 1
1376 1 178 TRP HE3 1 188 PHE QD . . 4.360 3.271 2.409 4.076 . 0 0 "[ . 1 . ]" 1
1377 1 178 TRP HE3 1 191 ALA MB . . 4.190 3.587 3.173 3.776 . 0 0 "[ . 1 . ]" 1
1378 1 178 TRP HH2 1 191 ALA MB . . 4.140 3.335 3.139 3.595 . 0 0 "[ . 1 . ]" 1
1379 1 178 TRP HZ2 1 186 ILE HB . . 5.470 5.694 5.558 5.857 0.387 6 0 "[ . 1 . ]" 1
1380 1 178 TRP HZ2 1 186 ILE QG . . 4.970 5.254 5.043 5.466 0.496 6 0 "[ . 1 . ]" 1
1381 1 178 TRP HZ3 1 186 ILE MD . . 4.870 5.213 5.003 5.393 0.523 2 1 "[ + . 1 . ]" 1
1382 1 178 TRP HZ3 1 186 ILE MG . . 4.630 2.418 2.313 2.594 . 0 0 "[ . 1 . ]" 1
1383 1 178 TRP HZ3 1 191 ALA MB . . 3.890 2.158 2.094 2.200 . 0 0 "[ . 1 . ]" 1
1384 1 179 THR H 1 179 THR MG . . 3.930 2.608 2.494 2.792 . 0 0 "[ . 1 . ]" 1
1385 1 179 THR H 1 180 ASP H . . 4.520 4.432 4.402 4.483 . 0 0 "[ . 1 . ]" 1
1386 1 179 THR H 1 188 PHE H . . 3.210 3.186 2.761 3.483 0.273 12 0 "[ . 1 . ]" 1
1387 1 179 THR H 1 188 PHE HA . . 4.660 4.549 4.278 4.924 0.264 14 0 "[ . 1 . ]" 1
1388 1 179 THR HB 1 180 ASP H . . 3.900 3.957 3.671 4.312 0.412 4 0 "[ . 1 . ]" 1
1389 1 179 THR HB 1 185 GLY H . . 4.390 4.498 4.187 4.762 0.372 13 0 "[ . 1 . ]" 1
1390 1 179 THR MG 1 180 ASP H . . 4.970 3.209 2.829 3.592 . 0 0 "[ . 1 . ]" 1
1391 1 179 THR MG 1 181 GLY H . . 5.050 4.841 4.687 5.081 0.031 8 0 "[ . 1 . ]" 1
1392 1 179 THR MG 1 184 LEU QB . . 4.520 2.611 2.398 3.617 . 0 0 "[ . 1 . ]" 1
1393 1 179 THR MG 1 185 GLY H . . 4.390 2.338 2.101 2.663 . 0 0 "[ . 1 . ]" 1
1394 1 179 THR MG 1 186 ILE H . . 4.940 3.502 3.178 3.779 . 0 0 "[ . 1 . ]" 1
1395 1 179 THR MG 1 188 PHE H . . 5.100 4.566 4.140 4.893 . 0 0 "[ . 1 . ]" 1
1396 1 180 ASP H 1 181 GLY H . . 3.500 2.457 2.360 2.576 . 0 0 "[ . 1 . ]" 1
1397 1 180 ASP QB 1 181 GLY H . . 4.000 2.398 2.373 2.459 . 0 0 "[ . 1 . ]" 1
1398 1 180 ASP QB 1 182 SER H . . 3.980 4.587 4.418 4.789 0.809 14 14 "[***** ***1***+*-]" 1
1399 1 181 GLY H 1 182 SER H . . 4.650 2.773 2.689 2.948 . 0 0 "[ . 1 . ]" 1
1400 1 182 SER H 1 183 SER H . . 5.340 2.724 2.558 2.915 . 0 0 "[ . 1 . ]" 1
1401 1 183 SER QB 1 184 LEU H . . 4.060 4.034 3.953 4.127 0.067 8 0 "[ . 1 . ]" 1
1402 1 183 SER HB2 1 184 LEU H . . 4.780 4.495 4.275 4.634 . 0 0 "[ . 1 . ]" 1
1403 1 183 SER HB3 1 184 LEU H . . 4.780 4.581 4.308 4.714 . 0 0 "[ . 1 . ]" 1
1404 1 184 LEU H 1 184 LEU QB . . 3.560 2.457 2.259 2.591 . 0 0 "[ . 1 . ]" 1
1405 1 184 LEU HA 1 185 GLY H . . 3.540 3.709 3.661 3.738 0.198 3 0 "[ . 1 . ]" 1
1406 1 184 LEU QB 1 185 GLY H . . 3.910 2.433 2.287 3.746 . 0 0 "[ . 1 . ]" 1
1407 1 185 GLY H 1 186 ILE H . . 4.510 3.383 3.035 3.839 . 0 0 "[ . 1 . ]" 1
1408 1 186 ILE H 1 186 ILE HB . . 3.950 2.584 2.522 2.624 . 0 0 "[ . 1 . ]" 1
1409 1 186 ILE H 1 186 ILE MD . . 3.920 3.462 3.163 3.776 . 0 0 "[ . 1 . ]" 1
1410 1 186 ILE H 1 186 ILE QG . . 2.930 2.485 2.373 2.550 . 0 0 "[ . 1 . ]" 1
1411 1 186 ILE HA 1 186 ILE MD . . 4.240 2.303 2.253 2.360 . 0 0 "[ . 1 . ]" 1
1412 1 186 ILE HA 1 186 ILE QG . . 3.680 3.151 3.060 3.209 . 0 0 "[ . 1 . ]" 1
1413 1 186 ILE MD 1 187 ASN H . . 4.790 4.228 4.078 4.352 . 0 0 "[ . 1 . ]" 1
1414 1 186 ILE MD 1 216 TYR QD . . 4.630 3.543 3.080 4.576 . 0 0 "[ . 1 . ]" 1
1415 1 186 ILE MG 1 187 ASN H . . 4.510 2.978 2.485 3.230 . 0 0 "[ . 1 . ]" 1
1416 1 186 ILE MG 1 191 ALA MB . . 5.060 2.145 2.067 2.200 . 0 0 "[ . 1 . ]" 1
1417 1 187 ASN H 1 187 ASN QB . . 3.670 2.410 2.244 2.575 . 0 0 "[ . 1 . ]" 1
1418 1 187 ASN H 1 188 PHE H . . 4.600 4.668 4.576 4.730 0.130 6 0 "[ . 1 . ]" 1
1419 1 188 PHE H 1 188 PHE HB2 . . 4.070 2.345 2.259 2.417 . 0 0 "[ . 1 . ]" 1
1420 1 188 PHE H 1 188 PHE QD . . 4.210 4.030 3.726 4.286 0.076 4 0 "[ . 1 . ]" 1
1421 1 188 PHE H 1 189 LEU H . . 3.180 2.648 2.497 2.765 . 0 0 "[ . 1 . ]" 1
1422 1 188 PHE HA 1 192 ALA H . . 4.640 3.746 3.375 4.018 . 0 0 "[ . 1 . ]" 1
1423 1 189 LEU H 1 191 ALA H . . 4.010 4.494 4.258 4.793 0.783 13 8 "[* * - * * +** ]" 1
1424 1 189 LEU HA 1 192 ALA H . . 4.510 3.590 3.274 3.972 . 0 0 "[ . 1 . ]" 1
1425 1 190 TYR QB 1 191 ALA MB . . 4.580 3.890 3.796 4.090 . 0 0 "[ . 1 . ]" 1
1426 1 191 ALA H 1 192 ALA H . . 3.190 2.770 2.688 2.874 . 0 0 "[ . 1 . ]" 1
1427 1 191 ALA MB 1 192 ALA H . . 3.710 2.621 2.446 2.787 . 0 0 "[ . 1 . ]" 1
1428 1 191 ALA MB 1 192 ALA MB . . 4.910 3.893 3.811 4.050 . 0 0 "[ . 1 . ]" 1
1429 1 191 ALA MB 1 195 ALA H . . 4.870 3.847 3.745 4.013 . 0 0 "[ . 1 . ]" 1
1430 1 191 ALA MB 1 195 ALA MB . . 5.230 3.563 3.429 3.745 . 0 0 "[ . 1 . ]" 1
1431 1 192 ALA H 1 193 THR H . . 3.370 2.960 2.844 3.151 . 0 0 "[ . 1 . ]" 1
1432 1 192 ALA H 1 194 HIS H . . 4.240 4.212 3.965 4.394 0.154 6 0 "[ . 1 . ]" 1
1433 1 192 ALA HA 1 195 ALA MB . . 4.020 2.631 2.498 2.851 . 0 0 "[ . 1 . ]" 1
1434 1 192 ALA HA 1 196 LEU H . . 4.300 3.289 3.192 3.396 . 0 0 "[ . 1 . ]" 1
1435 1 192 ALA MB 1 193 THR H . . 4.210 2.581 2.368 2.743 . 0 0 "[ . 1 . ]" 1
1436 1 192 ALA MB 1 196 LEU HG . . 5.370 3.772 3.543 4.001 . 0 0 "[ . 1 . ]" 1
1437 1 193 THR H 1 194 HIS H . . 3.210 2.843 2.675 3.127 . 0 0 "[ . 1 . ]" 1
1438 1 193 THR HA 1 196 LEU H . . 4.510 3.978 3.798 4.101 . 0 0 "[ . 1 . ]" 1
1439 1 193 THR HB 1 194 HIS H . . 4.600 2.873 2.620 3.438 . 0 0 "[ . 1 . ]" 1
1440 1 193 THR MG 1 194 HIS H . . 4.590 4.121 3.557 4.346 . 0 0 "[ . 1 . ]" 1
1441 1 193 THR MG 1 224 PHE QE . . 5.600 2.660 2.255 3.414 . 0 0 "[ . 1 . ]" 1
1442 1 194 HIS H 1 194 HIS QB . . 3.590 2.251 2.225 2.287 . 0 0 "[ . 1 . ]" 1
1443 1 194 HIS H 1 195 ALA H . . 3.260 2.843 2.711 3.004 . 0 0 "[ . 1 . ]" 1
1444 1 194 HIS H 1 196 LEU H . . 4.650 4.369 4.181 4.656 0.006 10 0 "[ . 1 . ]" 1
1445 1 194 HIS HA 1 197 GLY H . . 4.540 3.712 3.474 4.007 . 0 0 "[ . 1 . ]" 1
1446 1 194 HIS QB 1 195 ALA H . . 4.060 2.463 2.387 2.625 . 0 0 "[ . 1 . ]" 1
1447 1 195 ALA H 1 195 ALA MB . . 3.550 2.280 2.263 2.293 . 0 0 "[ . 1 . ]" 1
1448 1 195 ALA H 1 198 HIS H . . 4.950 4.999 4.825 5.178 0.228 9 0 "[ . 1 . ]" 1
1449 1 195 ALA HA 1 198 HIS H . . 3.810 3.590 3.451 3.693 . 0 0 "[ . 1 . ]" 1
1450 1 195 ALA HA 1 198 HIS QB . . 4.970 3.441 3.165 3.868 . 0 0 "[ . 1 . ]" 1
1451 1 195 ALA HA 1 198 HIS HB2 . . 4.320 3.497 3.208 3.961 . 0 0 "[ . 1 . ]" 1
1452 1 195 ALA HA 1 198 HIS HD2 . . 3.930 2.455 2.351 2.588 . 0 0 "[ . 1 . ]" 1
1453 1 195 ALA MB 1 196 LEU H . . 3.390 2.429 2.379 2.479 . 0 0 "[ . 1 . ]" 1
1454 1 196 LEU H 1 196 LEU QB . . 3.140 2.404 2.369 2.430 . 0 0 "[ . 1 . ]" 1
1455 1 196 LEU H 1 196 LEU HG . . 3.840 4.005 3.951 4.087 0.247 15 0 "[ . 1 . ]" 1
1456 1 196 LEU H 1 197 GLY H . . 3.040 2.724 2.653 2.793 . 0 0 "[ . 1 . ]" 1
1457 1 196 LEU H 1 198 HIS H . . 4.120 4.385 4.268 4.506 0.386 4 0 "[ . 1 . ]" 1
1458 1 196 LEU HA 1 199 SER H . . 3.510 3.030 2.851 3.156 . 0 0 "[ . 1 . ]" 1
1459 1 196 LEU HA 1 199 SER QB . . 4.040 2.864 2.401 3.502 . 0 0 "[ . 1 . ]" 1
1460 1 196 LEU HA 1 199 SER HB2 . . 4.650 3.501 2.642 4.621 . 0 0 "[ . 1 . ]" 1
1461 1 196 LEU HA 1 199 SER HB3 . . 4.650 3.364 2.416 4.523 . 0 0 "[ . 1 . ]" 1
1462 1 196 LEU QB 1 197 GLY H . . 3.640 2.777 2.652 2.926 . 0 0 "[ . 1 . ]" 1
1463 1 196 LEU QB 1 198 HIS H . . 5.030 4.889 4.780 5.067 0.037 4 0 "[ . 1 . ]" 1
1464 1 196 LEU HB2 1 197 GLY H . . 4.160 2.885 2.741 3.049 . 0 0 "[ . 1 . ]" 1
1465 1 196 LEU HB3 1 197 GLY H . . 4.160 3.618 3.528 3.769 . 0 0 "[ . 1 . ]" 1
1466 1 197 GLY H 1 198 HIS H . . 3.080 3.001 2.881 3.083 0.003 13 0 "[ . 1 . ]" 1
1467 1 197 GLY H 1 199 SER H . . 4.480 4.334 4.143 4.434 . 0 0 "[ . 1 . ]" 1
1468 1 198 HIS H 1 198 HIS HB2 . . 3.570 2.549 2.461 2.704 . 0 0 "[ . 1 . ]" 1
1469 1 198 HIS H 1 198 HIS HD2 . . 4.150 3.283 2.949 3.595 . 0 0 "[ . 1 . ]" 1
1470 1 198 HIS H 1 199 SER H . . 2.970 2.825 2.703 3.012 0.042 15 0 "[ . 1 . ]" 1
1471 1 198 HIS H 1 200 LEU HG . . 4.200 4.961 4.743 5.120 0.920 4 16 [***+*******-****] 1
1472 1 198 HIS H 1 202 MET QB . . 4.530 4.413 4.037 4.647 0.117 6 0 "[ . 1 . ]" 1
1473 1 198 HIS HE1 1 204 HIS H . . 4.250 4.307 3.834 4.980 0.730 15 3 "[ -. 1 * + ]" 1
1474 1 198 HIS HE1 1 204 HIS HA . . 4.590 4.552 3.764 5.709 1.119 15 4 "[ -*. 1 * + ]" 1
1475 1 198 HIS HE1 1 204 HIS HE1 . . 4.890 4.528 4.347 4.717 . 0 0 "[ . 1 . ]" 1
1476 1 199 SER H 1 199 SER QB . . 3.520 2.440 2.291 2.671 . 0 0 "[ . 1 . ]" 1
1477 1 199 SER H 1 199 SER HB2 . . 4.020 2.888 2.534 3.707 . 0 0 "[ . 1 . ]" 1
1478 1 199 SER H 1 199 SER HB3 . . 4.020 2.868 2.320 3.703 . 0 0 "[ . 1 . ]" 1
1479 1 199 SER H 1 200 LEU H . . 3.270 2.897 2.816 2.982 . 0 0 "[ . 1 . ]" 1
1480 1 199 SER H 1 201 GLY H . . 4.210 4.442 4.208 4.654 0.444 6 0 "[ . 1 . ]" 1
1481 1 200 LEU H 1 200 LEU HB2 . . 3.740 2.755 2.679 2.904 . 0 0 "[ . 1 . ]" 1
1482 1 200 LEU H 1 200 LEU HG . . 3.940 2.304 2.271 2.362 . 0 0 "[ . 1 . ]" 1
1483 1 200 LEU H 1 201 GLY H . . 2.740 2.643 2.464 3.016 0.276 10 0 "[ . 1 . ]" 1
1484 1 200 LEU H 1 201 GLY QA . . 4.370 4.376 4.221 4.579 0.209 10 0 "[ . 1 . ]" 1
1485 1 200 LEU H 1 201 GLY HA2 . . 5.170 4.773 4.560 4.983 . 0 0 "[ . 1 . ]" 1
1486 1 200 LEU H 1 201 GLY HA3 . . 5.170 5.088 4.981 5.339 0.169 10 0 "[ . 1 . ]" 1
1487 1 200 LEU H 1 202 MET H . . 3.620 3.129 2.962 3.342 . 0 0 "[ . 1 . ]" 1
1488 1 200 LEU HB2 1 201 GLY H . . 4.540 3.983 3.659 4.188 . 0 0 "[ . 1 . ]" 1
1489 1 200 LEU HB2 1 202 MET HA . . 4.980 4.734 4.421 4.957 . 0 0 "[ . 1 . ]" 1
1490 1 200 LEU HB2 1 234 ILE MD . . 4.590 3.192 2.792 3.663 . 0 0 "[ . 1 . ]" 1
1491 1 200 LEU HB3 1 234 ILE MD . . 4.390 3.082 2.660 3.760 . 0 0 "[ . 1 . ]" 1
1492 1 200 LEU HG 1 201 GLY H . . 4.870 4.761 4.568 5.070 0.200 10 0 "[ . 1 . ]" 1
1493 1 201 GLY H 1 202 MET QB . . 4.590 4.735 4.391 5.135 0.545 3 1 "[ + . 1 . ]" 1
1494 1 202 MET H 1 202 MET QB . . 3.480 2.338 2.260 2.443 . 0 0 "[ . 1 . ]" 1
1495 1 202 MET H 1 202 MET ME . . 4.560 4.902 4.354 5.135 0.575 2 6 "[ +*-* * .*]" 1
1496 1 202 MET H 1 234 ILE MD . . 4.640 4.815 4.132 5.214 0.574 14 3 "[ . * - +. ]" 1
1497 1 202 MET HA 1 202 MET ME . . 5.200 3.264 2.682 3.592 . 0 0 "[ . 1 . ]" 1
1498 1 202 MET HA 1 203 GLY H . . 3.530 2.361 2.302 2.421 . 0 0 "[ . 1 . ]" 1
1499 1 202 MET HA 1 234 ILE MD . . 4.540 4.576 3.921 4.974 0.434 10 0 "[ . 1 . ]" 1
1500 1 202 MET QB 1 202 MET ME . . 3.250 2.348 2.199 2.593 . 0 0 "[ . 1 . ]" 1
1501 1 202 MET QB 1 203 GLY H . . 4.170 3.305 2.514 3.907 . 0 0 "[ . 1 . ]" 1
1502 1 202 MET QB 1 234 ILE MD . . 4.200 3.606 2.889 4.354 0.154 14 0 "[ . 1 . ]" 1
1503 1 202 MET HB2 1 203 GLY H . . 4.800 4.135 3.870 4.372 . 0 0 "[ . 1 . ]" 1
1504 1 202 MET HB3 1 203 GLY H . . 4.800 3.609 2.547 4.409 . 0 0 "[ . 1 . ]" 1
1505 1 202 MET ME 1 203 GLY H . . 4.640 3.530 2.769 4.274 . 0 0 "[ . 1 . ]" 1
1506 1 202 MET ME 1 233 GLY H . . 4.270 3.938 3.684 4.428 0.158 14 0 "[ . 1 . ]" 1
1507 1 202 MET ME 1 233 GLY HA3 . . 3.870 2.824 2.386 3.505 . 0 0 "[ . 1 . ]" 1
1508 1 202 MET ME 1 234 ILE H . . 3.590 2.555 2.385 2.763 . 0 0 "[ . 1 . ]" 1
1509 1 202 MET ME 1 234 ILE MD . . 4.280 3.211 2.837 3.578 . 0 0 "[ . 1 . ]" 1
1510 1 202 MET ME 1 234 ILE MG . . 4.320 3.266 2.234 3.618 . 0 0 "[ . 1 . ]" 1
1511 1 204 HIS H 1 204 HIS QB . . 3.690 2.429 2.327 2.549 . 0 0 "[ . 1 . ]" 1
1512 1 204 HIS H 1 205 SER H . . 5.060 4.723 4.689 4.750 . 0 0 "[ . 1 . ]" 1
1513 1 204 HIS HA 1 204 HIS HD2 . . 3.900 3.261 2.562 3.962 0.062 2 0 "[ . 1 . ]" 1
1514 1 204 HIS HA 1 205 SER H . . 3.560 2.488 2.421 2.570 . 0 0 "[ . 1 . ]" 1
1515 1 204 HIS HA 1 214 PRO HD3 . . 4.390 4.328 3.930 4.703 0.313 12 0 "[ . 1 . ]" 1
1516 1 204 HIS HE1 1 214 PRO HA . . 4.400 3.634 2.725 4.616 0.216 12 0 "[ . 1 . ]" 1
1517 1 205 SER H 1 205 SER QB . . 3.550 2.451 2.293 2.762 . 0 0 "[ . 1 . ]" 1
1518 1 205 SER H 1 206 SER H . . 4.780 4.534 4.505 4.583 . 0 0 "[ . 1 . ]" 1
1519 1 205 SER H 1 212 MET H . . 4.470 4.617 4.413 4.812 0.342 13 0 "[ . 1 . ]" 1
1520 1 205 SER H 1 213 TYR H . . 4.330 5.245 4.950 5.417 1.087 16 16 [******-********+] 1
1521 1 205 SER H 1 214 PRO HD3 . . 3.980 3.341 2.621 3.971 . 0 0 "[ . 1 . ]" 1
1522 1 205 SER QB 1 207 ASP H . . 3.550 2.803 2.409 3.507 . 0 0 "[ . 1 . ]" 1
1523 1 205 SER QB 1 210 ALA MB . . 4.190 2.084 2.054 2.119 . 0 0 "[ . 1 . ]" 1
1524 1 205 SER HB2 1 207 ASP H . . 4.380 3.858 2.644 4.472 0.092 1 0 "[ . 1 . ]" 1
1525 1 205 SER HB2 1 210 ALA MB . . 4.980 2.641 2.085 3.322 . 0 0 "[ . 1 . ]" 1
1526 1 205 SER HB3 1 207 ASP H . . 4.380 2.920 2.440 3.665 . 0 0 "[ . 1 . ]" 1
1527 1 205 SER HB3 1 210 ALA MB . . 4.980 2.480 2.092 3.339 . 0 0 "[ . 1 . ]" 1
1528 1 206 SER H 1 207 ASP H . . 2.830 2.657 2.485 2.852 0.022 15 0 "[ . 1 . ]" 1
1529 1 207 ASP H 1 207 ASP QB . . 3.510 2.315 2.250 2.496 . 0 0 "[ . 1 . ]" 1
1530 1 207 ASP H 1 213 TYR QE . . 4.400 3.776 2.855 4.738 0.338 11 0 "[ . 1 . ]" 1
1531 1 209 ASN H 1 209 ASN QB . . 3.690 2.886 2.663 3.027 . 0 0 "[ . 1 . ]" 1
1532 1 209 ASN H 1 209 ASN QD . . 3.540 3.210 2.388 3.736 0.196 13 0 "[ . 1 . ]" 1
1533 1 209 ASN H 1 209 ASN HD21 . . 4.210 3.568 2.456 4.331 0.121 13 0 "[ . 1 . ]" 1
1534 1 209 ASN H 1 209 ASN HD22 . . 4.210 3.733 3.263 4.081 . 0 0 "[ . 1 . ]" 1
1535 1 209 ASN H 1 210 ALA H . . 2.690 2.916 2.715 3.059 0.369 8 0 "[ . 1 . ]" 1
1536 1 209 ASN H 1 210 ALA MB . . 4.200 4.149 3.979 4.226 0.026 12 0 "[ . 1 . ]" 1
1537 1 209 ASN HB2 1 210 ALA H . . 5.500 4.599 4.050 4.701 . 0 0 "[ . 1 . ]" 1
1538 1 209 ASN HB3 1 210 ALA H . . 5.500 4.786 4.716 4.810 . 0 0 "[ . 1 . ]" 1
1539 1 209 ASN QD 1 210 ALA MB . . 5.010 4.831 4.325 5.597 0.587 10 2 "[ .- + . ]" 1
1540 1 210 ALA H 1 210 ALA MB . . 3.490 2.384 2.330 2.452 . 0 0 "[ . 1 . ]" 1
1541 1 210 ALA H 1 211 VAL H . . 5.040 4.702 4.660 4.746 . 0 0 "[ . 1 . ]" 1
1542 1 210 ALA H 1 213 TYR HB2 . . 4.450 2.621 2.444 2.818 . 0 0 "[ . 1 . ]" 1
1543 1 210 ALA MB 1 211 VAL H . . 3.990 2.444 2.367 2.585 . 0 0 "[ . 1 . ]" 1
1544 1 210 ALA MB 1 212 MET H . . 4.210 2.686 2.520 2.852 . 0 0 "[ . 1 . ]" 1
1545 1 210 ALA MB 1 213 TYR H . . 4.640 3.076 2.861 3.362 . 0 0 "[ . 1 . ]" 1
1546 1 210 ALA MB 1 213 TYR QB . . 4.300 2.235 2.210 2.276 . 0 0 "[ . 1 . ]" 1
1547 1 210 ALA MB 1 228 GLN H . . 5.500 5.915 5.483 6.597 1.097 11 4 "[ . 1+* -*]" 1
1548 1 210 ALA MB 1 230 ASP HA . . 4.320 4.628 3.919 4.965 0.645 1 6 "[+** . -*1* . ]" 1
1549 1 210 ALA MB 1 230 ASP QB . . 4.950 3.859 2.876 4.503 . 0 0 "[ . 1 . ]" 1
1550 1 211 VAL H 1 211 VAL HB . . 3.930 2.395 2.356 2.460 . 0 0 "[ . 1 . ]" 1
1551 1 211 VAL H 1 212 MET H . . 3.140 2.381 2.320 2.473 . 0 0 "[ . 1 . ]" 1
1552 1 211 VAL H 1 213 TYR H . . 3.850 4.115 3.880 4.467 0.617 16 1 "[ . 1 .+]" 1
1553 1 211 VAL H 1 227 SER H . . 3.990 3.873 3.570 4.120 0.130 12 0 "[ . 1 . ]" 1
1554 1 211 VAL H 1 227 SER HA . . 4.420 5.159 4.942 5.363 0.943 5 16 [*-**+***********] 1
1555 1 211 VAL H 1 227 SER QB . . 5.340 2.434 2.223 2.663 . 0 0 "[ . 1 . ]" 1
1556 1 212 MET H 1 213 TYR H . . 3.180 3.041 2.820 3.271 0.091 8 0 "[ . 1 . ]" 1
1557 1 213 TYR H 1 213 TYR HB2 . . 3.960 2.462 2.348 2.602 . 0 0 "[ . 1 . ]" 1
1558 1 213 TYR H 1 213 TYR HB3 . . 3.960 2.776 2.561 2.966 . 0 0 "[ . 1 . ]" 1
1559 1 213 TYR HA 1 213 TYR QD . . 4.110 2.241 2.216 2.290 . 0 0 "[ . 1 . ]" 1
1560 1 213 TYR QB 1 214 PRO HD2 . . 4.930 3.769 3.608 3.943 . 0 0 "[ . 1 . ]" 1
1561 1 213 TYR QB 1 214 PRO HD3 . . 4.790 4.422 4.296 4.550 . 0 0 "[ . 1 . ]" 1
1562 1 213 TYR QB 1 215 THR H . . 4.350 3.210 2.752 3.741 . 0 0 "[ . 1 . ]" 1
1563 1 213 TYR QD 1 214 PRO QD . . 4.380 2.595 2.390 2.796 . 0 0 "[ . 1 . ]" 1
1564 1 213 TYR QD 1 214 PRO HD2 . . 4.190 2.670 2.424 2.929 . 0 0 "[ . 1 . ]" 1
1565 1 213 TYR QD 1 215 THR H . . 3.600 3.301 2.927 3.686 0.086 4 0 "[ . 1 . ]" 1
1566 1 213 TYR QE 1 215 THR H . . 4.410 4.091 3.806 4.362 . 0 0 "[ . 1 . ]" 1
1567 1 214 PRO QD 1 215 THR H . . 4.410 2.808 2.514 3.112 . 0 0 "[ . 1 . ]" 1
1568 1 214 PRO HD2 1 215 THR H . . 4.210 2.865 2.548 3.193 . 0 0 "[ . 1 . ]" 1
1569 1 214 PRO QG 1 215 THR H . . 4.060 2.928 2.650 3.528 . 0 0 "[ . 1 . ]" 1
1570 1 214 PRO QG 1 215 THR MG . . 5.810 3.531 2.276 4.857 . 0 0 "[ . 1 . ]" 1
1571 1 215 THR H 1 215 THR MG . . 3.920 2.932 2.181 3.869 . 0 0 "[ . 1 . ]" 1
1572 1 215 THR H 1 216 TYR H . . 3.540 3.262 2.406 4.002 0.462 1 0 "[ . 1 . ]" 1
1573 1 215 THR MG 1 216 TYR H . . 5.710 4.217 3.801 4.537 . 0 0 "[ . 1 . ]" 1
1574 1 216 TYR QB 1 217 GLY H . . 4.290 3.569 2.624 4.056 . 0 0 "[ . 1 . ]" 1
1575 1 218 ASN H 1 218 ASN QB . . 3.310 2.542 2.301 3.038 . 0 0 "[ . 1 . ]" 1
1576 1 218 ASN H 1 218 ASN HB2 . . 3.820 2.875 2.423 3.664 . 0 0 "[ . 1 . ]" 1
1577 1 218 ASN H 1 218 ASN HB3 . . 3.820 3.171 2.447 3.812 . 0 0 "[ . 1 . ]" 1
1578 1 218 ASN QB 1 219 GLY H . . 3.600 2.547 2.220 3.129 . 0 0 "[ . 1 . ]" 1
1579 1 218 ASN HB2 1 219 GLY H . . 4.480 3.330 2.321 4.160 . 0 0 "[ . 1 . ]" 1
1580 1 218 ASN HB3 1 219 GLY H . . 4.480 3.015 2.405 3.874 . 0 0 "[ . 1 . ]" 1
1581 1 222 GLN H 1 222 GLN QB . . 3.620 2.395 2.263 2.575 . 0 0 "[ . 1 . ]" 1
1582 1 222 GLN H 1 222 GLN QG . . 3.980 3.285 2.511 4.149 0.169 8 0 "[ . 1 . ]" 1
1583 1 222 GLN H 1 222 GLN HG2 . . 4.590 4.201 3.620 4.720 0.130 8 0 "[ . 1 . ]" 1
1584 1 222 GLN H 1 222 GLN HG3 . . 4.590 3.510 2.547 4.624 0.034 3 0 "[ . 1 . ]" 1
1585 1 222 GLN H 1 223 ASN H . . 3.820 2.689 2.381 3.088 . 0 0 "[ . 1 . ]" 1
1586 1 222 GLN QB 1 223 ASN H . . 3.100 2.551 2.196 3.137 0.037 3 0 "[ . 1 . ]" 1
1587 1 222 GLN HB2 1 223 ASN H . . 3.610 2.993 2.264 3.986 0.376 3 0 "[ . 1 . ]" 1
1588 1 222 GLN HB3 1 223 ASN H . . 3.610 3.117 2.323 3.834 0.224 9 0 "[ . 1 . ]" 1
1589 1 223 ASN H 1 224 PHE QB . . 4.140 4.638 4.059 4.915 0.775 4 9 "[ * +*- ** ** * ]" 1
1590 1 223 ASN QB 1 224 PHE H . . 3.970 3.280 2.477 4.185 0.215 9 0 "[ . 1 . ]" 1
1591 1 223 ASN HB2 1 224 PHE H . . 4.620 3.776 2.634 4.788 0.168 13 0 "[ . 1 . ]" 1
1592 1 223 ASN HB3 1 224 PHE H . . 4.620 3.857 2.514 4.759 0.139 9 0 "[ . 1 . ]" 1
1593 1 224 PHE QB 1 225 LYS H . . 3.560 3.353 2.553 3.844 0.284 2 0 "[ . 1 . ]" 1
1594 1 224 PHE QE 1 225 LYS H . . 4.400 4.172 3.912 4.588 0.188 13 0 "[ . 1 . ]" 1
1595 1 225 LYS QB 1 225 LYS QD . . 1.800 2.252 2.138 2.391 0.591 12 3 "[ . - 1 + .*]" 1
1596 1 225 LYS QB 1 226 LEU H . . 3.990 2.413 2.318 2.667 . 0 0 "[ . 1 . ]" 1
1597 1 225 LYS QB 1 226 LEU HA . . 4.390 4.556 4.276 4.790 0.400 11 0 "[ . 1 . ]" 1
1598 1 226 LEU H 1 226 LEU QB . . 3.090 2.308 2.226 2.436 . 0 0 "[ . 1 . ]" 1
1599 1 226 LEU HA 1 231 ILE QG . . 4.640 4.583 4.387 4.801 0.161 1 0 "[ . 1 . ]" 1
1600 1 226 LEU HA 1 231 ILE HG12 . . 5.500 5.616 4.754 5.976 0.476 3 0 "[ . 1 . ]" 1
1601 1 226 LEU HA 1 231 ILE HG13 . . 5.500 4.929 4.735 5.794 0.294 15 0 "[ . 1 . ]" 1
1602 1 227 SER H 1 230 ASP H . . 4.610 4.142 3.963 4.345 . 0 0 "[ . 1 . ]" 1
1603 1 227 SER H 1 231 ILE H . . 4.290 4.046 3.835 4.256 . 0 0 "[ . 1 . ]" 1
1604 1 227 SER QB 1 228 GLN H . . 4.430 3.341 3.012 3.754 . 0 0 "[ . 1 . ]" 1
1605 1 228 GLN H 1 230 ASP QB . . 4.390 5.070 4.480 5.520 1.130 1 11 "[+***. ***1* * *-]" 1
1606 1 228 GLN HA 1 230 ASP QB . . 4.770 5.245 4.956 5.492 0.722 1 8 "[+** . **-1* * . ]" 1
1607 1 229 ASP H 1 230 ASP H . . 3.100 2.786 2.679 2.898 . 0 0 "[ . 1 . ]" 1
1608 1 230 ASP H 1 231 ILE H . . 2.940 2.747 2.592 2.903 . 0 0 "[ . 1 . ]" 1
1609 1 230 ASP H 1 231 ILE HB . . 4.800 5.023 4.804 5.338 0.538 15 1 "[ . 1 + ]" 1
1610 1 230 ASP H 1 231 ILE MD . . 4.530 5.248 4.986 5.544 1.014 11 14 [-********1+***.*] 1
1611 1 230 ASP H 1 231 ILE QG . . 4.740 4.571 4.348 4.800 0.060 3 0 "[ . 1 . ]" 1
1612 1 230 ASP H 1 232 LYS H . . 3.970 4.487 4.161 4.674 0.704 15 9 "[ *.* **1-** +*]" 1
1613 1 230 ASP H 1 232 LYS QG . . 4.330 4.817 4.573 5.202 0.872 3 5 "[ *+ - 1* *. ]" 1
1614 1 230 ASP HA 1 233 GLY H . . 4.920 3.490 3.166 4.045 . 0 0 "[ . 1 . ]" 1
1615 1 231 ILE H 1 231 ILE HB . . 3.550 2.507 2.432 2.615 . 0 0 "[ . 1 . ]" 1
1616 1 231 ILE H 1 231 ILE MD . . 3.970 3.466 3.074 3.754 . 0 0 "[ . 1 . ]" 1
1617 1 231 ILE H 1 231 ILE QG . . 3.330 2.385 2.295 2.453 . 0 0 "[ . 1 . ]" 1
1618 1 231 ILE H 1 231 ILE MG . . 4.490 3.847 3.793 3.890 . 0 0 "[ . 1 . ]" 1
1619 1 231 ILE H 1 232 LYS H . . 3.110 2.848 2.707 2.978 . 0 0 "[ . 1 . ]" 1
1620 1 231 ILE H 1 232 LYS HB3 . . 4.860 5.288 5.078 5.511 0.651 9 5 "[ .* *+1 - * ]" 1
1621 1 231 ILE HA 1 234 ILE MG . . 4.020 2.364 2.237 2.590 . 0 0 "[ . 1 . ]" 1
1622 1 231 ILE HA 1 235 GLN H . . 4.410 4.082 3.827 4.376 . 0 0 "[ . 1 . ]" 1
1623 1 231 ILE HB 1 231 ILE MD . . 3.260 2.490 2.312 3.344 0.084 5 0 "[ . 1 . ]" 1
1624 1 231 ILE HB 1 232 LYS H . . 3.570 2.656 2.547 2.967 . 0 0 "[ . 1 . ]" 1
1625 1 231 ILE HB 1 232 LYS HA . . 4.660 4.396 4.188 4.532 . 0 0 "[ . 1 . ]" 1
1626 1 231 ILE MD 1 232 LYS H . . 5.010 4.585 4.402 4.903 . 0 0 "[ . 1 . ]" 1
1627 1 231 ILE MD 1 232 LYS HB3 . . 6.000 6.051 5.734 6.882 0.882 5 2 "[ + 1 - ]" 1
1628 1 231 ILE QG 1 232 LYS H . . 4.660 4.288 4.164 4.375 . 0 0 "[ . 1 . ]" 1
1629 1 231 ILE MD 1 231 ILE MG . . 3.990 2.232 2.166 2.331 . 0 0 "[ . 1 . ]" 1
1630 1 231 ILE MG 1 232 LYS H . . 4.510 3.256 2.980 3.503 . 0 0 "[ . 1 . ]" 1
1631 1 231 ILE MG 1 232 LYS HA . . 4.050 3.132 2.941 3.370 . 0 0 "[ . 1 . ]" 1
1632 1 231 ILE MG 1 233 GLY H . . 5.240 4.864 4.744 5.030 . 0 0 "[ . 1 . ]" 1
1633 1 231 ILE MG 1 234 ILE H . . 4.810 4.692 4.179 5.050 0.240 13 0 "[ . 1 . ]" 1
1634 1 231 ILE MG 1 235 GLN H . . 4.770 3.809 3.379 4.157 . 0 0 "[ . 1 . ]" 1
1635 1 231 ILE MG 1 235 GLN QG . . 4.630 3.379 2.456 4.232 . 0 0 "[ . 1 . ]" 1
1636 1 232 LYS H 1 232 LYS HB3 . . 3.570 2.521 2.374 2.603 . 0 0 "[ . 1 . ]" 1
1637 1 232 LYS H 1 232 LYS QG . . 3.890 2.553 2.349 3.021 . 0 0 "[ . 1 . ]" 1
1638 1 232 LYS H 1 233 GLY H . . 3.100 2.783 2.648 2.902 . 0 0 "[ . 1 . ]" 1
1639 1 232 LYS HA 1 232 LYS QG . . 3.700 3.355 3.308 3.549 . 0 0 "[ . 1 . ]" 1
1640 1 232 LYS HB3 1 233 GLY H . . 3.670 4.088 3.891 4.187 0.517 12 1 "[ . 1 + . ]" 1
1641 1 232 LYS QG 1 233 GLY H . . 3.760 2.366 2.298 2.608 . 0 0 "[ . 1 . ]" 1
1642 1 232 LYS QG 1 233 GLY HA2 . . 4.810 3.109 2.858 4.055 . 0 0 "[ . 1 . ]" 1
1643 1 232 LYS QG 1 233 GLY HA3 . . 4.550 3.737 3.598 4.329 . 0 0 "[ . 1 . ]" 1
1644 1 233 GLY H 1 234 ILE H . . 2.800 2.854 2.770 2.959 0.159 12 0 "[ . 1 . ]" 1
1645 1 233 GLY H 1 234 ILE MG . . 5.070 4.373 4.246 4.531 . 0 0 "[ . 1 . ]" 1
1646 1 233 GLY H 1 235 GLN H . . 4.400 4.192 4.005 4.419 0.019 7 0 "[ . 1 . ]" 1
1647 1 233 GLY HA2 1 235 GLN H . . 4.430 4.688 4.548 4.917 0.487 7 0 "[ . 1 . ]" 1
1648 1 233 GLY HA2 1 236 LYS QB . . 4.080 3.604 2.965 4.323 0.243 5 0 "[ . 1 . ]" 1
1649 1 233 GLY HA3 1 235 GLN H . . 4.790 4.814 4.640 5.072 0.282 7 0 "[ . 1 . ]" 1
1650 1 234 ILE H 1 234 ILE HB . . 3.370 2.607 2.456 3.013 . 0 0 "[ . 1 . ]" 1
1651 1 234 ILE H 1 234 ILE MD . . 4.810 4.529 4.454 4.715 . 0 0 "[ . 1 . ]" 1
1652 1 234 ILE H 1 234 ILE HG12 . . 4.760 4.662 4.567 4.722 . 0 0 "[ . 1 . ]" 1
1653 1 234 ILE H 1 234 ILE MG . . 3.550 2.326 2.200 2.460 . 0 0 "[ . 1 . ]" 1
1654 1 234 ILE H 1 235 GLN H . . 2.950 2.683 2.576 2.833 . 0 0 "[ . 1 . ]" 1
1655 1 234 ILE H 1 236 LYS H . . 4.460 4.181 4.067 4.334 . 0 0 "[ . 1 . ]" 1
1656 1 234 ILE H 1 237 LEU H . . 5.470 5.369 5.162 5.590 0.120 1 0 "[ . 1 . ]" 1
1657 1 234 ILE HB 1 235 GLN H . . 4.360 4.115 3.979 4.316 . 0 0 "[ . 1 . ]" 1
1658 1 234 ILE HB 1 238 TYR QD . . 4.560 4.961 4.823 5.144 0.584 16 2 "[ . 1 - .+]" 1
1659 1 234 ILE MD 1 238 TYR QD . . 4.020 3.648 3.399 3.854 . 0 0 "[ . 1 . ]" 1
1660 1 234 ILE QG 1 238 TYR QD . . 3.980 2.259 2.181 2.392 . 0 0 "[ . 1 . ]" 1
1661 1 234 ILE HG12 1 238 TYR QD . . 4.240 2.400 2.294 2.524 . 0 0 "[ . 1 . ]" 1
1662 1 234 ILE HG12 1 238 TYR QE . . 4.050 2.962 2.639 3.447 . 0 0 "[ . 1 . ]" 1
1663 1 234 ILE HG13 1 238 TYR QD . . 3.750 2.845 2.411 3.381 . 0 0 "[ . 1 . ]" 1
1664 1 234 ILE MD 1 234 ILE MG . . 2.920 2.204 2.166 2.289 . 0 0 "[ . 1 . ]" 1
1665 1 234 ILE MG 1 235 GLN H . . 3.710 2.384 2.297 2.483 . 0 0 "[ . 1 . ]" 1
1666 1 234 ILE MG 1 235 GLN QG . . 4.220 3.855 2.439 4.576 0.356 4 0 "[ . 1 . ]" 1
1667 1 234 ILE MG 1 236 LYS H . . 5.440 4.549 4.463 4.650 . 0 0 "[ . 1 . ]" 1
1668 1 234 ILE MG 1 238 TYR QD . . 4.780 4.036 3.815 4.376 . 0 0 "[ . 1 . ]" 1
1669 1 235 GLN H 1 235 GLN QG . . 3.390 2.724 2.380 2.972 . 0 0 "[ . 1 . ]" 1
1670 1 235 GLN H 1 235 GLN HG2 . . 4.080 3.543 2.794 4.007 . 0 0 "[ . 1 . ]" 1
1671 1 235 GLN H 1 235 GLN HG3 . . 4.080 3.100 2.407 4.227 0.147 8 0 "[ . 1 . ]" 1
1672 1 235 GLN H 1 236 LYS H . . 3.060 2.789 2.727 2.866 . 0 0 "[ . 1 . ]" 1
1673 1 235 GLN H 1 237 LEU H . . 4.170 4.430 4.260 4.542 0.372 10 0 "[ . 1 . ]" 1
1674 1 236 LYS H 1 236 LYS QB . . 3.200 2.378 2.272 2.629 . 0 0 "[ . 1 . ]" 1
1675 1 236 LYS H 1 236 LYS HB2 . . 3.650 3.639 3.409 3.744 0.094 5 0 "[ . 1 . ]" 1
1676 1 236 LYS H 1 236 LYS HB3 . . 3.650 2.411 2.307 2.686 . 0 0 "[ . 1 . ]" 1
1677 1 236 LYS H 1 236 LYS QG . . 3.720 2.834 2.372 4.064 0.344 16 0 "[ . 1 . ]" 1
1678 1 236 LYS H 1 237 LEU H . . 3.030 2.739 2.650 2.826 . 0 0 "[ . 1 . ]" 1
1679 1 236 LYS H 1 238 TYR H . . 4.170 4.386 4.245 4.625 0.455 13 0 "[ . 1 . ]" 1
1680 1 236 LYS HA 1 236 LYS QD . . 3.620 3.695 3.436 4.413 0.793 5 1 "[ + 1 . ]" 1
1681 1 236 LYS HA 1 236 LYS QG . . 3.570 3.497 3.167 3.567 . 0 0 "[ . 1 . ]" 1
1682 1 236 LYS QE 1 237 LEU QB . . 1.800 2.289 2.208 2.422 0.622 16 6 "[ **-. * * .+]" 1
1683 1 236 LYS QG 1 237 LEU H . . 3.310 2.470 2.337 3.727 0.417 16 0 "[ . 1 . ]" 1
1684 1 237 LEU H 1 237 LEU QB . . 3.110 2.293 2.238 2.324 . 0 0 "[ . 1 . ]" 1
1685 1 237 LEU H 1 237 LEU HB2 . . 3.590 2.535 2.362 2.703 . 0 0 "[ . 1 . ]" 1
1686 1 237 LEU H 1 237 LEU HB3 . . 3.590 2.645 2.473 2.839 . 0 0 "[ . 1 . ]" 1
1687 1 237 LEU H 1 237 LEU HG . . 4.880 4.514 4.393 4.722 . 0 0 "[ . 1 . ]" 1
1688 1 237 LEU H 1 238 TYR H . . 2.910 2.487 2.392 2.643 . 0 0 "[ . 1 . ]" 1
1689 1 237 LEU H 1 238 TYR QD . . 4.330 4.023 3.752 4.594 0.264 13 0 "[ . 1 . ]" 1
1690 1 237 LEU QB 1 238 TYR H . . 3.670 2.650 2.557 3.022 . 0 0 "[ . 1 . ]" 1
1691 1 237 LEU QB 1 238 TYR QD . . 4.330 3.034 2.613 3.622 . 0 0 "[ . 1 . ]" 1
1692 1 237 LEU QB 1 238 TYR QE . . 4.790 3.982 3.351 4.779 . 0 0 "[ . 1 . ]" 1
1693 1 237 LEU HB2 1 238 TYR H . . 4.240 3.858 3.712 4.079 . 0 0 "[ . 1 . ]" 1
1694 1 237 LEU HB2 1 238 TYR QD . . 5.050 4.668 4.295 5.159 0.109 11 0 "[ . 1 . ]" 1
1695 1 237 LEU HB3 1 238 TYR H . . 4.240 2.701 2.595 3.115 . 0 0 "[ . 1 . ]" 1
1696 1 237 LEU HB3 1 238 TYR QD . . 5.050 3.077 2.636 3.700 . 0 0 "[ . 1 . ]" 1
1697 1 237 LEU HG 1 238 TYR H . . 4.920 4.782 4.495 5.073 0.153 15 0 "[ . 1 . ]" 1
1698 1 238 TYR H 1 238 TYR HB2 . . 4.090 2.445 2.396 2.505 . 0 0 "[ . 1 . ]" 1
1699 1 238 TYR H 1 238 TYR HB3 . . 4.090 3.654 3.628 3.693 . 0 0 "[ . 1 . ]" 1
1700 1 10 LEU H 1 10 LEU QD . . 3.630 3.003 2.175 3.765 0.135 9 0 "[ . 1 . ]" 1
1701 1 12 TRP HE1 1 54 LEU QD . . 5.480 3.871 2.142 5.426 . 0 0 "[ . 1 . ]" 1
1702 1 12 TRP HH2 1 39 LEU MD1 . . 5.550 5.411 3.975 6.509 0.959 14 2 "[ . - +. ]" 1
1703 1 15 ALA MB 1 54 LEU QD . . 4.220 2.166 1.888 2.559 . 0 0 "[ . 1 . ]" 1
1704 1 16 GLN H 1 54 LEU QD . . 5.220 4.123 3.359 4.508 . 0 0 "[ . 1 . ]" 1
1705 1 19 LEU H 1 19 LEU MD2 . . 4.670 4.173 3.769 4.438 . 0 0 "[ . 1 . ]" 1
1706 1 19 LEU HB2 1 19 LEU MD1 . . 3.520 3.099 2.329 3.304 . 0 0 "[ . 1 . ]" 1
1707 1 19 LEU HB3 1 19 LEU MD1 . . 3.520 2.382 2.321 2.476 . 0 0 "[ . 1 . ]" 1
1708 1 19 LEU MD1 1 42 MET ME . . 5.260 4.632 2.108 5.441 0.181 7 0 "[ . 1 . ]" 1
1709 1 19 LEU MD1 1 62 MET ME . . 5.860 4.092 2.492 5.021 . 0 0 "[ . 1 . ]" 1
1710 1 19 LEU MD1 1 42 MET HG2 . . 5.490 5.227 3.815 5.899 0.409 7 0 "[ . 1 . ]" 1
1711 1 19 LEU MD1 1 42 MET HG3 . . 5.490 4.192 2.431 4.779 . 0 0 "[ . 1 . ]" 1
1712 1 19 LEU MD2 1 42 MET ME . . 6.500 3.500 2.015 4.694 . 0 0 "[ . 1 . ]" 1
1713 1 19 LEU MD2 1 46 PHE QE . . 5.180 3.900 2.867 5.491 0.311 12 0 "[ . 1 . ]" 1
1714 1 23 TYR H 1 72 VAL MG2 . . 4.700 4.803 4.499 5.296 0.596 13 1 "[ . 1 + . ]" 1
1715 1 23 TYR QB 1 72 VAL MG2 . . 4.540 2.519 2.252 2.916 . 0 0 "[ . 1 . ]" 1
1716 1 24 LEU H 1 24 LEU QD . . 3.920 3.105 2.365 4.074 0.154 9 0 "[ . 1 . ]" 1
1717 1 24 LEU H 1 72 VAL MG2 . . 3.930 3.964 3.697 4.679 0.749 13 1 "[ . 1 + . ]" 1
1718 1 24 LEU HA 1 24 LEU QD . . 3.560 2.324 2.209 3.134 . 0 0 "[ . 1 . ]" 1
1719 1 24 LEU QD 1 72 VAL HB . . 4.670 3.803 2.867 4.382 . 0 0 "[ . 1 . ]" 1
1720 1 24 LEU QD 1 70 PRO QG . . 3.220 2.531 2.039 3.157 . 0 0 "[ . 1 . ]" 1
1721 1 24 LEU QD 1 25 TYR H . . 4.800 3.867 3.559 4.608 . 0 0 "[ . 1 . ]" 1
1722 1 24 LEU HG 1 72 VAL MG1 . . 4.170 4.608 4.214 4.904 0.734 14 3 "[ * . - +. ]" 1
1723 1 24 LEU HG 1 72 VAL MG2 . . 4.140 2.274 2.178 2.367 . 0 0 "[ . 1 . ]" 1
1724 1 35 LEU H 1 39 LEU MD2 . . 6.000 6.024 5.036 6.796 0.796 9 3 "[- . +1 * ]" 1
1725 1 35 LEU HA 1 39 LEU MD1 . . 4.840 3.928 2.615 5.399 0.559 14 1 "[ . 1 +. ]" 1
1726 1 39 LEU H 1 39 LEU MD2 . . 4.420 3.277 2.366 3.817 . 0 0 "[ . 1 . ]" 1
1727 1 39 LEU MD1 1 54 LEU QD . . 3.710 2.469 1.953 3.340 . 0 0 "[ . 1 . ]" 1
1728 1 42 MET ME 1 48 LEU MD2 . . 4.180 3.078 2.407 3.640 . 0 0 "[ . 1 . ]" 1
1729 1 42 MET ME 1 58 VAL MG2 . . 4.710 3.826 3.155 4.249 . 0 0 "[ . 1 . ]" 1
1730 1 43 GLN H 1 48 LEU MD1 . . 4.640 4.563 4.237 4.975 0.335 11 0 "[ . 1 . ]" 1
1731 1 43 GLN HA 1 48 LEU MD2 . . 4.460 3.049 2.730 3.353 . 0 0 "[ . 1 . ]" 1
1732 1 43 GLN HA 1 48 LEU MD1 . . 5.020 2.696 2.394 2.959 . 0 0 "[ . 1 . ]" 1
1733 1 43 GLN HB3 1 48 LEU MD2 . . 3.980 4.178 3.973 4.416 0.436 1 0 "[ . 1 . ]" 1
1734 1 43 GLN HB3 1 48 LEU MD1 . . 5.520 2.346 2.175 2.441 . 0 0 "[ . 1 . ]" 1
1735 1 43 GLN QE 1 58 VAL MG2 . . 3.960 2.421 2.108 2.716 . 0 0 "[ . 1 . ]" 1
1736 1 43 GLN QG 1 48 LEU MD1 . . 4.650 3.009 2.211 3.583 . 0 0 "[ . 1 . ]" 1
1737 1 46 PHE H 1 48 LEU MD2 . . 4.800 4.365 4.064 4.518 . 0 0 "[ . 1 . ]" 1
1738 1 46 PHE QB 1 48 LEU MD1 . . 4.930 3.863 3.579 4.282 . 0 0 "[ . 1 . ]" 1
1739 1 47 GLY H 1 48 LEU MD1 . . 5.120 4.695 4.299 5.085 . 0 0 "[ . 1 . ]" 1
1740 1 47 GLY H 1 48 LEU MD2 . . 5.310 4.297 3.919 4.645 . 0 0 "[ . 1 . ]" 1
1741 1 48 LEU H 1 48 LEU MD1 . . 4.720 3.929 3.865 3.977 . 0 0 "[ . 1 . ]" 1
1742 1 48 LEU H 1 48 LEU MD2 . . 3.900 3.038 2.909 3.189 . 0 0 "[ . 1 . ]" 1
1743 1 48 LEU QB 1 48 LEU QD . . 1.570 1.966 1.942 1.985 0.415 11 0 "[ . 1 . ]" 1
1744 1 48 LEU HB2 1 48 LEU MD2 . . 3.520 2.772 2.689 2.829 . 0 0 "[ . 1 . ]" 1
1745 1 48 LEU HB2 1 48 LEU MD1 . . 3.520 2.318 2.278 2.353 . 0 0 "[ . 1 . ]" 1
1746 1 48 LEU HB3 1 48 LEU MD1 . . 3.520 3.214 3.185 3.241 . 0 0 "[ . 1 . ]" 1
1747 1 48 LEU MD1 1 58 VAL MG2 . . 3.670 2.163 2.050 2.378 . 0 0 "[ . 1 . ]" 1
1748 1 48 LEU MD1 1 58 VAL HB . . 4.400 4.738 4.573 4.978 0.578 9 2 "[ . +1 - . ]" 1
1749 1 48 LEU MD2 1 58 VAL HA . . 4.040 2.736 2.357 3.210 . 0 0 "[ . 1 . ]" 1
1750 1 48 LEU MD2 1 61 ILE HB . . 5.150 4.868 4.305 5.212 0.062 7 0 "[ . 1 . ]" 1
1751 1 48 LEU MD2 1 61 ILE MD . . 4.840 2.679 1.985 4.433 . 0 0 "[ . 1 . ]" 1
1752 1 48 LEU MD2 1 58 VAL MG2 . . 4.190 2.328 2.022 2.704 . 0 0 "[ . 1 . ]" 1
1753 1 48 LEU MD2 1 58 VAL H . . 4.530 4.177 3.814 4.669 0.139 9 0 "[ . 1 . ]" 1
1754 1 54 LEU H 1 58 VAL MG2 . . 4.790 4.622 4.264 4.990 0.200 8 0 "[ . 1 . ]" 1
1755 1 54 LEU HA 1 58 VAL MG2 . . 4.340 2.716 2.243 3.275 . 0 0 "[ . 1 . ]" 1
1756 1 54 LEU QD 1 58 VAL H . . 5.940 5.242 4.600 5.648 . 0 0 "[ . 1 . ]" 1
1757 1 54 LEU QD 1 62 MET ME . . 4.590 2.666 2.099 3.668 . 0 0 "[ . 1 . ]" 1
1758 1 54 LEU QD 1 59 ILE MD . . 4.880 2.739 2.043 3.613 . 0 0 "[ . 1 . ]" 1
1759 1 54 LEU QD 1 58 VAL MG1 . . 3.750 2.728 2.023 3.172 . 0 0 "[ . 1 . ]" 1
1760 1 54 LEU QD 1 59 ILE QG . . 3.220 2.334 2.202 2.639 . 0 0 "[ . 1 . ]" 1
1761 1 54 LEU QD 1 55 ASN H . . 4.440 3.397 3.093 3.614 . 0 0 "[ . 1 . ]" 1
1762 1 54 LEU QD 1 56 SER H . . 4.870 5.221 4.922 5.549 0.679 15 3 "[ - . * + ]" 1
1763 1 54 LEU QD 1 59 ILE MG . . 5.910 4.087 3.618 4.440 . 0 0 "[ . 1 . ]" 1
1764 1 55 ASN H 1 58 VAL MG2 . . 4.340 3.409 2.998 3.987 . 0 0 "[ . 1 . ]" 1
1765 1 55 ASN H 1 58 VAL MG1 . . 4.340 4.100 3.893 4.272 . 0 0 "[ . 1 . ]" 1
1766 1 56 SER H 1 58 VAL MG2 . . 4.230 4.007 3.759 4.430 0.200 14 0 "[ . 1 . ]" 1
1767 1 57 ARG H 1 58 VAL MG2 . . 4.830 3.941 3.588 4.293 . 0 0 "[ . 1 . ]" 1
1768 1 57 ARG QB 1 58 VAL MG2 . . 4.170 3.415 2.938 4.742 0.572 14 1 "[ . 1 +. ]" 1
1769 1 58 VAL H 1 58 VAL MG2 . . 3.160 2.220 2.125 2.388 . 0 0 "[ . 1 . ]" 1
1770 1 58 VAL HA 1 58 VAL MG2 . . 3.690 2.485 2.427 2.542 . 0 0 "[ . 1 . ]" 1
1771 1 48 LEU MD1 1 58 VAL HA . . 4.080 4.159 3.791 4.585 0.505 9 1 "[ . +1 . ]" 1
1772 1 58 VAL QG 1 59 ILE H . . 4.200 3.326 3.159 3.489 . 0 0 "[ . 1 . ]" 1
1773 1 58 VAL MG1 1 62 MET ME . . 4.050 2.783 2.371 3.710 . 0 0 "[ . 1 . ]" 1
1774 1 58 VAL MG2 1 59 ILE H . . 4.240 3.884 3.738 4.104 . 0 0 "[ . 1 . ]" 1
1775 1 65 PRO QB 1 156 LEU QD . . 3.820 2.601 2.250 3.024 . 0 0 "[ . 1 . ]" 1
1776 1 65 PRO HB2 1 156 LEU QD . . 4.340 2.648 2.291 3.091 . 0 0 "[ . 1 . ]" 1
1777 1 65 PRO HB3 1 156 LEU QD . . 4.340 3.808 3.294 4.292 . 0 0 "[ . 1 . ]" 1
1778 1 66 ARG H 1 156 LEU QD . . 4.450 3.334 2.946 4.024 . 0 0 "[ . 1 . ]" 1
1779 1 68 GLY H 1 69 VAL QG . . 5.310 2.702 2.459 4.193 . 0 0 "[ . 1 . ]" 1
1780 1 68 GLY H 1 156 LEU QD . . 5.310 5.097 4.907 5.280 . 0 0 "[ . 1 . ]" 1
1781 1 69 VAL H 1 69 VAL QG . . 3.920 2.315 2.152 2.900 . 0 0 "[ . 1 . ]" 1
1782 1 69 VAL QG 1 160 PHE QE . . 4.870 4.916 2.433 5.468 0.598 11 2 "[ . - 1+ . ]" 1
1783 1 69 VAL QG 1 70 PRO QD . . 2.740 2.228 1.985 2.298 . 0 0 "[ . 1 . ]" 1
1784 1 69 VAL QG 1 159 ALA H . . 4.580 2.143 2.002 2.378 . 0 0 "[ . 1 . ]" 1
1785 1 69 VAL QG 1 198 HIS HD2 . . 4.740 2.646 2.336 3.854 . 0 0 "[ . 1 . ]" 1
1786 1 69 VAL QG 1 158 HIS HB2 . . 4.900 3.469 2.423 3.851 . 0 0 "[ . 1 . ]" 1
1787 1 69 VAL QG 1 158 HIS HA . . 4.170 2.394 2.255 2.626 . 0 0 "[ . 1 . ]" 1
1788 1 69 VAL QG 1 158 HIS HB3 . . 4.680 4.096 3.564 4.393 . 0 0 "[ . 1 . ]" 1
1789 1 69 VAL QG 1 158 HIS H . . 5.120 4.642 4.525 4.917 . 0 0 "[ . 1 . ]" 1
1790 1 71 ASP H 1 72 VAL MG2 . . 3.730 3.113 2.460 4.298 0.568 5 1 "[ + 1 . ]" 1
1791 1 71 ASP H 1 72 VAL MG1 . . 4.930 3.856 3.231 5.073 0.143 14 0 "[ . 1 . ]" 1
1792 1 72 VAL H 1 72 VAL MG2 . . 3.410 2.383 2.241 2.506 . 0 0 "[ . 1 . ]" 1
1793 1 72 VAL H 1 72 VAL MG1 . . 3.720 3.351 2.359 3.904 0.184 2 0 "[ . 1 . ]" 1
1794 1 72 VAL MG1 1 73 ALA H . . 4.260 3.658 3.207 4.107 . 0 0 "[ . 1 . ]" 1
1795 1 72 VAL MG2 1 73 ALA HA . . 4.870 3.926 3.167 4.579 . 0 0 "[ . 1 . ]" 1
1796 1 72 VAL MG2 1 73 ALA H . . 4.260 3.781 3.064 4.298 0.038 2 0 "[ . 1 . ]" 1
1797 1 82 PRO HG2 1 237 LEU QD . . 4.050 2.761 2.274 3.704 . 0 0 "[ . 1 . ]" 1
1798 1 82 PRO HG3 1 237 LEU QD . . 4.050 3.248 2.235 4.528 0.478 14 0 "[ . 1 . ]" 1
1799 1 83 LYS HB2 1 237 LEU QD . . 4.020 2.989 2.244 4.308 0.288 11 0 "[ . 1 . ]" 1
1800 1 83 LYS HB3 1 237 LEU QD . . 4.020 3.878 3.364 4.908 0.888 11 1 "[ . 1+ . ]" 1
1801 1 83 LYS QD 1 237 LEU QD . . 3.530 2.127 2.004 2.229 . 0 0 "[ . 1 . ]" 1
1802 1 84 TRP H 1 122 LEU MD1 . . 4.470 3.844 3.624 4.082 . 0 0 "[ . 1 . ]" 1
1803 1 84 TRP QB 1 89 VAL MG2 . . 3.460 2.436 2.163 2.715 . 0 0 "[ . 1 . ]" 1
1804 1 84 TRP HB2 1 89 VAL MG2 . . 4.020 3.220 2.805 3.766 . 0 0 "[ . 1 . ]" 1
1805 1 84 TRP HB2 1 122 LEU MD1 . . 3.520 2.239 2.128 2.374 . 0 0 "[ . 1 . ]" 1
1806 1 84 TRP HB3 1 122 LEU MD1 . . 3.520 2.992 2.619 3.341 . 0 0 "[ . 1 . ]" 1
1807 1 84 TRP HB3 1 89 VAL MG2 . . 4.170 2.551 2.187 2.907 . 0 0 "[ . 1 . ]" 1
1808 1 84 TRP HB3 1 122 LEU MD2 . . 4.020 3.523 3.154 4.007 . 0 0 "[ . 1 . ]" 1
1809 1 84 TRP HD1 1 122 LEU MD1 . . 5.040 4.008 3.273 5.218 0.178 8 0 "[ . 1 . ]" 1
1810 1 84 TRP HD1 1 89 VAL MG2 . . 5.320 3.455 2.814 4.587 . 0 0 "[ . 1 . ]" 1
1811 1 84 TRP HD1 1 200 LEU MD2 . . 3.750 2.750 2.106 4.051 0.301 8 0 "[ . 1 . ]" 1
1812 1 84 TRP HD1 1 89 VAL MG1 . . 5.320 4.037 3.206 5.094 . 0 0 "[ . 1 . ]" 1
1813 1 84 TRP HE1 1 200 LEU MD2 . . 3.900 2.624 2.347 3.312 . 0 0 "[ . 1 . ]" 1
1814 1 84 TRP HE1 1 89 VAL MG1 . . 4.440 3.410 2.632 4.397 . 0 0 "[ . 1 . ]" 1
1815 1 84 TRP HZ2 1 89 VAL MG1 . . 5.040 3.617 3.080 4.007 . 0 0 "[ . 1 . ]" 1
1816 1 86 SER H 1 89 VAL MG2 . . 4.570 3.856 3.395 4.574 0.004 1 0 "[ . 1 . ]" 1
1817 1 86 SER HB2 1 89 VAL MG2 . . 4.030 2.780 2.178 4.355 0.325 14 0 "[ . 1 . ]" 1
1818 1 86 SER HB3 1 89 VAL MG2 . . 4.030 3.955 3.348 4.578 0.548 7 3 "[ * . + 1 - . ]" 1
1819 1 88 VAL H 1 88 VAL MG1 . . 3.580 2.545 2.351 2.917 . 0 0 "[ . 1 . ]" 1
1820 1 88 VAL H 1 88 VAL MG2 . . 4.220 4.036 3.924 4.091 . 0 0 "[ . 1 . ]" 1
1821 1 88 VAL H 1 88 VAL QG . . 3.580 2.518 2.335 2.856 . 0 0 "[ . 1 . ]" 1
1822 1 88 VAL H 1 89 VAL MG2 . . 4.190 4.096 3.709 4.434 0.244 7 0 "[ . 1 . ]" 1
1823 1 88 VAL QG 1 123 HIS HD2 . . 5.280 2.263 2.155 2.535 . 0 0 "[ . 1 . ]" 1
1824 1 88 VAL QG 1 125 ARG QB . . 2.750 2.047 1.957 2.164 . 0 0 "[ . 1 . ]" 1
1825 1 88 VAL QG 1 125 ARG QD . . 4.340 2.957 2.546 3.248 . 0 0 "[ . 1 . ]" 1
1826 1 88 VAL QG 1 90 THR MG . . 4.500 2.578 2.168 3.181 . 0 0 "[ . 1 . ]" 1
1827 1 88 VAL QG 1 89 VAL HA . . 4.980 3.269 3.102 3.452 . 0 0 "[ . 1 . ]" 1
1828 1 88 VAL QG 1 125 ARG H . . 4.090 2.949 2.675 3.461 . 0 0 "[ . 1 . ]" 1
1829 1 88 VAL QG 1 89 VAL H . . 3.460 2.253 2.184 2.325 . 0 0 "[ . 1 . ]" 1
1830 1 88 VAL QG 1 90 THR H . . 4.990 4.204 3.980 4.436 . 0 0 "[ . 1 . ]" 1
1831 1 88 VAL MG1 1 123 HIS HD2 . . 5.280 4.716 4.368 5.139 . 0 0 "[ . 1 . ]" 1
1832 1 88 VAL MG1 1 125 ARG QB . . 2.750 2.987 2.650 3.220 0.470 9 0 "[ . 1 . ]" 1
1833 1 88 VAL MG1 1 125 ARG HD3 . . 4.940 4.848 4.537 5.261 0.321 9 0 "[ . 1 . ]" 1
1834 1 88 VAL MG1 1 125 ARG HD2 . . 4.940 3.895 3.529 4.279 . 0 0 "[ . 1 . ]" 1
1835 1 88 VAL MG1 1 90 THR MG . . 4.500 2.730 2.269 3.515 . 0 0 "[ . 1 . ]" 1
1836 1 88 VAL MG1 1 89 VAL HA . . 4.980 3.435 3.158 3.818 . 0 0 "[ . 1 . ]" 1
1837 1 88 VAL MG1 1 125 ARG H . . 4.090 4.537 4.325 4.806 0.716 1 7 "[+ * .- *1 ** * ]" 1
1838 1 88 VAL MG1 1 125 ARG HB2 . . 4.690 3.252 2.885 3.552 . 0 0 "[ . 1 . ]" 1
1839 1 88 VAL MG1 1 125 ARG HB3 . . 4.690 3.612 2.859 4.470 . 0 0 "[ . 1 . ]" 1
1840 1 88 VAL MG1 1 89 VAL H . . 3.460 3.281 2.863 3.716 0.256 13 0 "[ . 1 . ]" 1
1841 1 88 VAL MG1 1 90 THR H . . 4.990 4.507 4.109 4.971 . 0 0 "[ . 1 . ]" 1
1842 1 88 VAL MG2 1 123 HIS HD2 . . 5.280 2.268 2.159 2.541 . 0 0 "[ . 1 . ]" 1
1843 1 88 VAL MG2 1 125 ARG QB . . 2.750 2.087 1.985 2.204 . 0 0 "[ . 1 . ]" 1
1844 1 88 VAL MG2 1 125 ARG HD2 . . 4.340 3.168 2.654 3.502 . 0 0 "[ . 1 . ]" 1
1845 1 88 VAL MG2 1 125 ARG HD3 . . 4.340 4.576 4.221 4.873 0.533 3 2 "[ + . -1 . ]" 1
1846 1 88 VAL MG2 1 90 THR MG . . 4.500 3.285 2.533 3.834 . 0 0 "[ . 1 . ]" 1
1847 1 88 VAL MG2 1 89 VAL HA . . 4.980 4.199 3.937 4.538 . 0 0 "[ . 1 . ]" 1
1848 1 88 VAL MG2 1 125 ARG H . . 4.090 2.995 2.698 3.549 . 0 0 "[ . 1 . ]" 1
1849 1 88 VAL MG2 1 125 ARG HB2 . . 4.690 2.135 2.064 2.228 . 0 0 "[ . 1 . ]" 1
1850 1 88 VAL MG2 1 125 ARG HB3 . . 4.690 3.003 2.552 3.539 . 0 0 "[ . 1 . ]" 1
1851 1 88 VAL MG2 1 89 VAL H . . 3.460 2.301 2.210 2.397 . 0 0 "[ . 1 . ]" 1
1852 1 88 VAL MG2 1 90 THR H . . 4.990 5.132 4.763 5.666 0.676 4 2 "[ +. 1- . ]" 1
1853 1 89 VAL H 1 89 VAL MG2 . . 3.710 2.856 2.705 2.994 . 0 0 "[ . 1 . ]" 1
1854 1 89 VAL H 1 89 VAL MG1 . . 3.980 3.876 3.762 3.961 . 0 0 "[ . 1 . ]" 1
1855 1 89 VAL MG1 1 124 PHE QD . . 4.880 3.860 3.142 5.013 0.133 4 0 "[ . 1 . ]" 1
1856 1 89 VAL MG1 1 124 PHE QE . . 4.510 3.549 2.283 5.106 0.596 4 1 "[ +. 1 . ]" 1
1857 1 89 VAL MG1 1 134 ILE MD . . 4.020 2.071 1.899 2.385 . 0 0 "[ . 1 . ]" 1
1858 1 89 VAL MG1 1 133 ASP QB . . 3.250 2.661 2.280 3.168 . 0 0 "[ . 1 . ]" 1
1859 1 89 VAL MG1 1 90 THR H . . 3.390 2.350 2.197 2.518 . 0 0 "[ . 1 . ]" 1
1860 1 89 VAL MG1 1 134 ILE H . . 4.350 3.785 3.329 4.102 . 0 0 "[ . 1 . ]" 1
1861 1 89 VAL MG2 1 122 LEU MD1 . . 3.650 2.871 2.349 3.630 . 0 0 "[ . 1 . ]" 1
1862 1 89 VAL MG2 1 124 PHE QD . . 4.880 4.184 3.292 5.319 0.439 10 0 "[ . 1 . ]" 1
1863 1 89 VAL MG2 1 200 LEU MD2 . . 4.860 3.857 3.239 4.642 . 0 0 "[ . 1 . ]" 1
1864 1 89 VAL MG2 1 90 THR H . . 4.640 4.057 3.954 4.176 . 0 0 "[ . 1 . ]" 1
1865 1 89 VAL MG2 1 124 PHE QE . . 4.320 3.677 2.643 5.043 0.723 10 2 "[ . + - ]" 1
1866 1 90 THR HA 1 127 VAL MG1 . . 4.670 3.456 3.211 3.603 . 0 0 "[ . 1 . ]" 1
1867 1 90 THR HB 1 127 VAL MG1 . . 3.640 2.302 2.178 2.623 . 0 0 "[ . 1 . ]" 1
1868 1 90 THR MG 1 127 VAL MG1 . . 4.380 3.021 2.285 3.557 . 0 0 "[ . 1 . ]" 1
1869 1 91 TYR H 1 127 VAL MG1 . . 4.230 2.199 2.113 2.285 . 0 0 "[ . 1 . ]" 1
1870 1 91 TYR H 1 127 VAL MG2 . . 4.230 3.721 3.329 3.894 . 0 0 "[ . 1 . ]" 1
1871 1 91 TYR HA 1 127 VAL MG2 . . 4.540 4.890 4.548 5.072 0.532 14 2 "[ - . 1 +. ]" 1
1872 1 91 TYR HB2 1 113 LEU MD2 . . 4.820 3.682 3.223 4.106 . 0 0 "[ . 1 . ]" 1
1873 1 91 TYR HB2 1 113 LEU MD1 . . 4.820 3.964 3.254 4.529 . 0 0 "[ . 1 . ]" 1
1874 1 91 TYR HB2 1 109 VAL QG . . 4.390 3.371 2.840 3.668 . 0 0 "[ . 1 . ]" 1
1875 1 91 TYR HB3 1 113 LEU MD1 . . 5.620 3.289 2.640 3.766 . 0 0 "[ . 1 . ]" 1
1876 1 91 TYR QD 1 109 VAL QG . . 4.390 2.281 2.182 2.367 . 0 0 "[ . 1 . ]" 1
1877 1 91 TYR QD 1 113 LEU MD1 . . 5.150 3.784 3.377 4.255 . 0 0 "[ . 1 . ]" 1
1878 1 91 TYR QD 1 113 LEU MD2 . . 5.150 2.434 2.294 2.570 . 0 0 "[ . 1 . ]" 1
1879 1 91 TYR QE 1 109 VAL QG . . 4.300 2.558 2.329 2.761 . 0 0 "[ . 1 . ]" 1
1880 1 91 TYR QE 1 113 LEU MD1 . . 4.740 4.724 4.295 5.168 0.428 9 0 "[ . 1 . ]" 1
1881 1 92 ARG H 1 127 VAL MG1 . . 4.470 4.034 3.667 4.566 0.096 2 0 "[ . 1 . ]" 1
1882 1 92 ARG QB 1 127 VAL MG2 . . 3.520 2.362 2.255 2.568 . 0 0 "[ . 1 . ]" 1
1883 1 92 ARG HB2 1 127 VAL MG2 . . 3.520 2.385 2.275 2.599 . 0 0 "[ . 1 . ]" 1
1884 1 92 ARG HB3 1 127 VAL MG2 . . 3.520 3.824 3.702 4.003 0.483 2 0 "[ . 1 . ]" 1
1885 1 92 ARG HD3 1 127 VAL MG2 . . 3.530 3.556 2.367 4.078 0.548 11 4 "[ *- 1+ *. ]" 1
1886 1 92 ARG HD2 1 127 VAL MG2 . . 3.530 2.592 2.196 3.237 . 0 0 "[ . 1 . ]" 1
1887 1 92 ARG HD2 1 127 VAL MG1 . . 4.030 3.919 3.544 5.001 0.971 8 3 "[ * . + 1 .-]" 1
1888 1 93 ILE MD 1 105 VAL MG1 . . 4.040 3.078 2.540 3.816 . 0 0 "[ . 1 . ]" 1
1889 1 93 ILE MD 1 109 VAL QG . . 3.990 1.974 1.871 2.074 . 0 0 "[ . 1 . ]" 1
1890 1 93 ILE MG 1 105 VAL MG1 . . 3.880 2.472 2.219 2.798 . 0 0 "[ . 1 . ]" 1
1891 1 94 VAL H 1 94 VAL QG . . 3.350 2.312 2.260 2.348 . 0 0 "[ . 1 . ]" 1
1892 1 94 VAL QG 1 95 SER QB . . 3.200 2.692 2.534 2.924 . 0 0 "[ . 1 . ]" 1
1893 1 94 VAL QG 1 95 SER H . . 3.600 3.202 3.180 3.234 . 0 0 "[ . 1 . ]" 1
1894 1 94 VAL QG 1 137 GLY QA . . 3.250 2.661 2.495 2.805 . 0 0 "[ . 1 . ]" 1
1895 1 94 VAL QG 1 135 MET ME . . 2.850 2.256 2.185 2.758 . 0 0 "[ . 1 . ]" 1
1896 1 94 VAL QG 1 135 MET QG . . 2.690 3.473 3.363 3.609 0.919 10 16 [-********+******] 1
1897 1 94 VAL QG 1 136 ILE H . . 4.420 2.683 2.551 2.844 . 0 0 "[ . 1 . ]" 1
1898 1 94 VAL QG 1 135 MET QB . . 2.750 2.094 2.024 2.138 . 0 0 "[ . 1 . ]" 1
1899 1 94 VAL QG 1 138 PHE H . . 5.030 4.223 4.122 4.429 . 0 0 "[ . 1 . ]" 1
1900 1 97 THR MG 1 105 VAL MG2 . . 4.520 2.797 2.617 3.847 . 0 0 "[ . 1 . ]" 1
1901 1 100 LEU H 1 105 VAL MG2 . . 4.880 4.046 3.860 4.236 . 0 0 "[ . 1 . ]" 1
1902 1 100 LEU HA 1 100 LEU MD2 . . 3.900 2.509 2.259 3.652 . 0 0 "[ . 1 . ]" 1
1903 1 100 LEU HB2 1 100 LEU MD1 . . 3.520 2.291 2.223 2.328 . 0 0 "[ . 1 . ]" 1
1904 1 100 LEU HB2 1 105 VAL MG2 . . 4.780 2.359 2.266 2.520 . 0 0 "[ . 1 . ]" 1
1905 1 100 LEU HB2 1 105 VAL MG1 . . 4.780 4.935 4.794 5.225 0.445 12 0 "[ . 1 . ]" 1
1906 1 100 LEU HB3 1 100 LEU MD1 . . 3.520 2.649 2.416 3.207 . 0 0 "[ . 1 . ]" 1
1907 1 100 LEU HB3 1 105 VAL MG2 . . 4.270 2.780 2.491 3.595 . 0 0 "[ . 1 . ]" 1
1908 1 100 LEU MD1 1 105 VAL MG2 . . 2.670 2.545 2.330 2.773 0.103 9 0 "[ . 1 . ]" 1
1909 1 100 LEU MD1 1 104 THR MG . . 3.700 3.120 2.550 4.007 0.307 9 0 "[ . 1 . ]" 1
1910 1 100 LEU MD1 1 178 TRP HB3 . . 5.410 2.815 2.426 3.195 . 0 0 "[ . 1 . ]" 1
1911 1 100 LEU MD1 1 178 TRP HB2 . . 5.410 3.165 2.691 3.894 . 0 0 "[ . 1 . ]" 1
1912 1 100 LEU MD1 1 178 TRP QB . . 4.720 2.604 2.275 3.056 . 0 0 "[ . 1 . ]" 1
1913 1 100 LEU MD1 1 105 VAL H . . 5.680 4.354 3.867 5.025 . 0 0 "[ . 1 . ]" 1
1914 1 100 LEU MD1 1 188 PHE H . . 5.170 4.047 3.472 4.911 . 0 0 "[ . 1 . ]" 1
1915 1 100 LEU MD2 1 104 THR MG . . 3.700 2.106 2.044 2.208 . 0 0 "[ . 1 . ]" 1
1916 1 100 LEU MD2 1 104 THR HB . . 5.550 3.332 3.105 3.795 . 0 0 "[ . 1 . ]" 1
1917 1 100 LEU MD2 1 179 THR HA . . 3.910 2.306 2.228 2.462 . 0 0 "[ . 1 . ]" 1
1918 1 100 LEU MD2 1 180 ASP H . . 4.550 2.586 2.224 3.222 . 0 0 "[ . 1 . ]" 1
1919 1 100 LEU MD2 1 188 PHE H . . 4.960 4.821 3.944 5.150 0.190 6 0 "[ . 1 . ]" 1
1920 1 102 HIS HA 1 105 VAL MG1 . . 4.420 4.515 4.314 4.719 0.299 15 0 "[ . 1 . ]" 1
1921 1 102 HIS HD2 1 105 VAL MG1 . . 3.780 3.952 3.619 4.202 0.422 15 0 "[ . 1 . ]" 1
1922 1 102 HIS HD2 1 105 VAL MG2 . . 4.230 4.263 4.014 4.479 0.249 15 0 "[ . 1 . ]" 1
1923 1 104 THR H 1 105 VAL MG2 . . 4.140 4.436 4.328 4.597 0.457 1 0 "[ . 1 . ]" 1
1924 1 104 THR HA 1 108 LEU QD . . 4.960 3.323 3.123 3.610 . 0 0 "[ . 1 . ]" 1
1925 1 104 THR MG 1 105 VAL MG2 . . 5.370 3.808 3.680 4.005 . 0 0 "[ . 1 . ]" 1
1926 1 104 THR MG 1 105 VAL MG1 . . 5.370 5.075 4.964 5.264 . 0 0 "[ . 1 . ]" 1
1927 1 104 THR MG 1 108 LEU QD . . 4.530 1.907 1.852 1.961 . 0 0 "[ . 1 . ]" 1
1928 1 105 VAL H 1 105 VAL MG2 . . 2.930 2.304 2.253 2.367 . 0 0 "[ . 1 . ]" 1
1929 1 105 VAL H 1 105 VAL MG1 . . 4.580 3.892 3.862 3.914 . 0 0 "[ . 1 . ]" 1
1930 1 105 VAL HA 1 108 LEU QD . . 4.630 2.515 2.200 2.790 . 0 0 "[ . 1 . ]" 1
1931 1 105 VAL MG1 1 109 VAL QG . . 5.580 2.397 2.125 2.607 . 0 0 "[ . 1 . ]" 1
1932 1 105 VAL MG1 1 109 VAL H . . 4.680 3.894 3.585 4.060 . 0 0 "[ . 1 . ]" 1
1933 1 105 VAL MG1 1 188 PHE QE . . 4.310 2.983 2.692 3.226 . 0 0 "[ . 1 . ]" 1
1934 1 105 VAL MG1 1 106 ASP H . . 4.030 3.259 3.094 3.466 . 0 0 "[ . 1 . ]" 1
1935 1 105 VAL MG1 1 138 PHE H . . 5.900 6.240 5.807 6.444 0.544 6 3 "[ .+ * 1 - ]" 1
1936 1 105 VAL MG2 1 106 ASP H . . 4.030 3.943 3.900 4.003 . 0 0 "[ . 1 . ]" 1
1937 1 107 ARG HG2 1 108 LEU QD . . 4.030 2.954 2.343 3.623 . 0 0 "[ . 1 . ]" 1
1938 1 108 LEU H 1 108 LEU QD . . 4.030 2.369 2.262 2.476 . 0 0 "[ . 1 . ]" 1
1939 1 108 LEU HA 1 108 LEU QD . . 4.270 2.157 2.105 2.199 . 0 0 "[ . 1 . ]" 1
1940 1 108 LEU QD 1 188 PHE QD . . 4.080 3.249 2.862 3.558 . 0 0 "[ . 1 . ]" 1
1941 1 108 LEU QD 1 111 LYS QE . . 3.250 4.087 3.596 4.417 1.167 13 15 "[*** **-*****+***]" 1
1942 1 108 LEU QD 1 111 LYS QB . . 3.250 3.238 2.952 3.525 0.275 16 0 "[ . 1 . ]" 1
1943 1 108 LEU QD 1 180 ASP QB . . 3.230 2.428 2.036 3.097 . 0 0 "[ . 1 . ]" 1
1944 1 108 LEU QD 1 188 PHE H . . 4.870 3.886 3.276 4.273 . 0 0 "[ . 1 . ]" 1
1945 1 109 VAL H 1 109 VAL QG . . 3.160 2.125 2.091 2.194 . 0 0 "[ . 1 . ]" 1
1946 1 109 VAL QG 1 136 ILE MD . . 3.220 2.957 2.775 3.159 . 0 0 "[ . 1 . ]" 1
1947 1 109 VAL QG 1 188 PHE QE . . 4.130 2.417 2.303 2.573 . 0 0 "[ . 1 . ]" 1
1948 1 109 VAL QG 1 188 PHE QD . . 4.370 3.562 3.062 4.004 . 0 0 "[ . 1 . ]" 1
1949 1 109 VAL QG 1 136 ILE HG12 . . 4.340 3.274 3.157 3.365 . 0 0 "[ . 1 . ]" 1
1950 1 109 VAL QG 1 136 ILE HG13 . . 4.340 2.091 2.024 2.149 . 0 0 "[ . 1 . ]" 1
1951 1 109 VAL QG 1 136 ILE QG . . 2.750 2.068 2.004 2.123 . 0 0 "[ . 1 . ]" 1
1952 1 109 VAL QG 1 110 SER H . . 3.790 2.267 2.236 2.321 . 0 0 "[ . 1 . ]" 1
1953 1 109 VAL QG 1 111 LYS H . . 4.960 4.221 4.177 4.267 . 0 0 "[ . 1 . ]" 1
1954 1 109 VAL QG 1 192 ALA MB . . 5.030 3.465 2.829 3.706 . 0 0 "[ . 1 . ]" 1
1955 1 109 VAL QG 1 196 LEU QD . . 4.740 2.989 2.581 3.187 . 0 0 "[ . 1 . ]" 1
1956 1 109 VAL QG 1 113 LEU MD1 . . 4.450 3.968 3.575 4.276 . 0 0 "[ . 1 . ]" 1
1957 1 109 VAL QG 1 136 ILE MG . . 4.580 2.148 2.090 2.218 . 0 0 "[ . 1 . ]" 1
1958 1 109 VAL QG 1 113 LEU QB . . 3.240 3.115 2.941 3.256 0.016 9 0 "[ . 1 . ]" 1
1959 1 109 VAL QG 1 113 LEU MD2 . . 3.450 3.141 2.736 3.538 0.088 13 0 "[ . 1 . ]" 1
1960 1 109 VAL QG 1 113 LEU H . . 4.290 4.169 4.061 4.345 0.055 1 0 "[ . 1 . ]" 1
1961 1 111 LYS H 1 189 LEU QD . . 4.420 3.969 3.709 4.196 . 0 0 "[ . 1 . ]" 1
1962 1 111 LYS QB 1 189 LEU QD . . 2.060 2.281 2.174 2.399 0.339 13 0 "[ . 1 . ]" 1
1963 1 111 LYS QE 1 189 LEU QD . . 2.070 2.403 2.088 2.653 0.583 1 2 "[+ . 1 .-]" 1
1964 1 111 LYS HE2 1 189 LEU QD . . 4.030 2.447 2.137 2.703 . 0 0 "[ . 1 . ]" 1
1965 1 111 LYS HE3 1 189 LEU QD . . 4.030 3.527 2.814 3.854 . 0 0 "[ . 1 . ]" 1
1966 1 111 LYS QG 1 189 LEU QD . . 2.070 2.191 2.091 2.278 0.208 13 0 "[ . 1 . ]" 1
1967 1 111 LYS HG2 1 189 LEU QD . . 4.030 2.213 2.112 2.303 . 0 0 "[ . 1 . ]" 1
1968 1 111 LYS HG3 1 189 LEU QD . . 4.030 3.497 3.358 3.612 . 0 0 "[ . 1 . ]" 1
1969 1 112 ALA H 1 189 LEU QD . . 3.790 3.080 2.716 3.375 . 0 0 "[ . 1 . ]" 1
1970 1 112 ALA HA 1 189 LEU QD . . 4.490 2.887 2.572 3.119 . 0 0 "[ . 1 . ]" 1
1971 1 112 ALA MB 1 189 LEU QD . . 4.650 2.161 2.026 2.245 . 0 0 "[ . 1 . ]" 1
1972 1 112 ALA MB 1 196 LEU QD . . 4.430 3.307 2.930 3.510 . 0 0 "[ . 1 . ]" 1
1973 1 113 LEU H 1 113 LEU MD2 . . 4.310 4.276 4.217 4.369 0.059 5 0 "[ . 1 . ]" 1
1974 1 113 LEU H 1 113 LEU MD1 . . 4.600 4.156 3.968 4.265 . 0 0 "[ . 1 . ]" 1
1975 1 113 LEU H 1 196 LEU QD . . 4.480 3.924 3.704 4.112 . 0 0 "[ . 1 . ]" 1
1976 1 113 LEU HA 1 113 LEU MD2 . . 3.760 4.021 3.951 4.099 0.339 4 0 "[ . 1 . ]" 1
1977 1 113 LEU HA 1 113 LEU MD1 . . 4.170 2.595 2.288 2.917 . 0 0 "[ . 1 . ]" 1
1978 1 113 LEU QB 1 196 LEU QD . . 3.440 2.973 2.708 3.165 . 0 0 "[ . 1 . ]" 1
1979 1 113 LEU QD 1 196 LEU QD . . 3.380 2.117 1.984 2.308 . 0 0 "[ . 1 . ]" 1
1980 1 109 VAL QG 1 113 LEU QD . . 3.450 3.021 2.685 3.377 . 0 0 "[ . 1 . ]" 1
1981 1 113 LEU QD 1 196 LEU QB . . 3.250 2.686 2.322 3.096 . 0 0 "[ . 1 . ]" 1
1982 1 113 LEU QD 1 136 ILE MD . . 5.580 3.762 3.403 4.231 . 0 0 "[ . 1 . ]" 1
1983 1 113 LEU QD 1 134 ILE HG13 . . 5.370 4.279 2.969 5.365 . 0 0 "[ . 1 . ]" 1
1984 1 113 LEU QD 1 124 PHE QB . . 3.220 3.045 2.514 3.426 0.206 15 0 "[ . 1 . ]" 1
1985 1 113 LEU MD1 1 196 LEU QD . . 3.380 2.131 1.992 2.330 . 0 0 "[ . 1 . ]" 1
1986 1 113 LEU MD1 1 196 LEU QB . . 3.250 2.698 2.327 3.121 . 0 0 "[ . 1 . ]" 1
1987 1 113 LEU MD1 1 124 PHE QD . . 4.470 3.454 2.821 4.026 . 0 0 "[ . 1 . ]" 1
1988 1 113 LEU MD1 1 124 PHE QE . . 4.960 2.638 2.292 3.334 . 0 0 "[ . 1 . ]" 1
1989 1 113 LEU MD2 1 196 LEU QD . . 3.380 3.677 3.284 3.888 0.508 12 1 "[ . 1 + . ]" 1
1990 1 113 LEU MD2 1 124 PHE QD . . 4.000 2.534 2.269 2.983 . 0 0 "[ . 1 . ]" 1
1991 1 113 LEU MD2 1 134 ILE MD . . 5.090 4.474 3.567 5.833 0.743 15 1 "[ . 1 + ]" 1
1992 1 113 LEU MD2 1 124 PHE QE . . 4.960 3.333 2.387 3.803 . 0 0 "[ . 1 . ]" 1
1993 1 115 MET ME 1 226 LEU MD2 . . 5.270 3.865 2.318 5.208 . 0 0 "[ . 1 . ]" 1
1994 1 115 MET ME 1 226 LEU MD1 . . 5.270 4.660 3.558 5.604 0.334 14 0 "[ . 1 . ]" 1
1995 1 116 TRP H 1 200 LEU MD1 . . 4.610 4.677 4.488 4.906 0.296 6 0 "[ . 1 . ]" 1
1996 1 116 TRP H 1 226 LEU MD2 . . 5.030 3.500 2.969 4.282 . 0 0 "[ . 1 . ]" 1
1997 1 116 TRP HA 1 226 LEU MD1 . . 4.600 2.987 2.378 3.569 . 0 0 "[ . 1 . ]" 1
1998 1 116 TRP HB2 1 226 LEU MD1 . . 5.420 5.213 4.769 5.537 0.117 11 0 "[ . 1 . ]" 1
1999 1 116 TRP HB3 1 200 LEU MD1 . . 4.410 2.162 2.060 2.247 . 0 0 "[ . 1 . ]" 1
2000 1 116 TRP HB3 1 226 LEU MD1 . . 5.010 4.844 4.641 5.159 0.149 5 0 "[ . 1 . ]" 1
2001 1 116 TRP HE1 1 211 VAL MG1 . . 4.830 3.727 3.232 4.111 . 0 0 "[ . 1 . ]" 1
2002 1 116 TRP HE1 1 200 LEU MD1 . . 5.230 4.146 3.920 4.411 . 0 0 "[ . 1 . ]" 1
2003 1 116 TRP HE1 1 226 LEU MD2 . . 5.360 4.044 3.622 4.666 . 0 0 "[ . 1 . ]" 1
2004 1 116 TRP HE3 1 226 LEU MD1 . . 4.940 3.683 3.128 4.350 . 0 0 "[ . 1 . ]" 1
2005 1 116 TRP HZ2 1 226 LEU MD2 . . 4.900 4.185 3.344 5.035 0.135 3 0 "[ . 1 . ]" 1
2006 1 117 GLY H 1 200 LEU MD1 . . 4.820 4.385 4.122 4.535 . 0 0 "[ . 1 . ]" 1
2007 1 119 GLU H 1 226 LEU MD2 . . 5.150 5.402 5.008 5.752 0.602 10 1 "[ . + . ]" 1
2008 1 120 ILE MD 1 122 LEU MD1 . . 4.220 2.136 2.089 2.241 . 0 0 "[ . 1 . ]" 1
2009 1 120 ILE MD 1 200 LEU MD2 . . 4.380 3.998 3.567 4.324 . 0 0 "[ . 1 . ]" 1
2010 1 122 LEU H 1 122 LEU MD1 . . 4.890 3.839 3.660 3.939 . 0 0 "[ . 1 . ]" 1
2011 1 122 LEU HA 1 122 LEU MD2 . . 4.250 2.214 2.186 2.267 . 0 0 "[ . 1 . ]" 1
2012 1 122 LEU HA 1 122 LEU MD1 . . 4.250 3.931 3.900 3.976 . 0 0 "[ . 1 . ]" 1
2013 1 122 LEU QB 1 123 HIS QB . . 4.560 4.233 4.145 4.314 . 0 0 "[ . 1 . ]" 1
2014 1 122 LEU HB2 1 122 LEU MD1 . . 3.520 2.378 2.334 2.472 . 0 0 "[ . 1 . ]" 1
2015 1 122 LEU HB3 1 123 HIS HB2 . . 4.560 5.044 4.950 5.116 0.556 2 6 "[*+ .* *1 -.*]" 1
2016 1 122 LEU HB3 1 123 HIS HB3 . . 4.560 4.888 4.721 4.998 0.438 6 0 "[ . 1 . ]" 1
2017 1 122 LEU MD1 1 124 PHE QE . . 5.100 2.962 2.176 3.562 . 0 0 "[ . 1 . ]" 1
2018 1 122 LEU MD1 1 238 TYR QD . . 4.390 4.261 3.777 4.696 0.306 14 0 "[ . 1 . ]" 1
2019 1 122 LEU MD2 1 124 PHE QE . . 4.720 4.465 3.929 4.877 0.157 13 0 "[ . 1 . ]" 1
2020 1 122 LEU MD2 1 123 HIS H . . 4.460 2.954 2.417 3.308 . 0 0 "[ . 1 . ]" 1
2021 1 122 LEU MD2 1 238 TYR QD . . 4.390 3.960 3.411 4.549 0.159 9 0 "[ . 1 . ]" 1
2022 1 124 PHE QE 1 200 LEU MD2 . . 3.770 3.465 2.999 3.945 0.175 4 0 "[ . 1 . ]" 1
2023 1 124 PHE QE 1 200 LEU MD1 . . 4.040 4.057 3.902 4.283 0.243 6 0 "[ . 1 . ]" 1
2024 1 126 LYS HA 1 127 VAL MG2 . . 4.640 3.990 3.771 4.184 . 0 0 "[ . 1 . ]" 1
2025 1 126 LYS HA 1 128 VAL QG . . 4.900 4.780 4.666 4.867 . 0 0 "[ . 1 . ]" 1
2026 1 126 LYS QB 1 128 VAL QG . . 4.690 3.563 3.057 4.256 . 0 0 "[ . 1 . ]" 1
2027 1 126 LYS HB2 1 128 VAL QG . . 4.660 4.716 4.486 4.885 0.225 14 0 "[ . 1 . ]" 1
2028 1 126 LYS HB3 1 128 VAL QG . . 4.660 3.744 3.111 4.830 0.170 6 0 "[ . 1 . ]" 1
2029 1 126 LYS QD 1 128 VAL QG . . 4.260 2.228 2.067 2.493 . 0 0 "[ . 1 . ]" 1
2030 1 126 LYS HD2 1 128 VAL QG . . 3.530 2.301 2.142 2.526 . 0 0 "[ . 1 . ]" 1
2031 1 126 LYS HD3 1 128 VAL QG . . 3.530 3.026 2.592 3.832 0.302 2 0 "[ . 1 . ]" 1
2032 1 126 LYS QE 1 128 VAL QG . . 3.840 2.536 2.168 3.369 . 0 0 "[ . 1 . ]" 1
2033 1 126 LYS HE2 1 128 VAL QG . . 4.310 3.320 2.189 4.213 . 0 0 "[ . 1 . ]" 1
2034 1 126 LYS HE3 1 128 VAL QG . . 4.310 2.892 2.241 3.976 . 0 0 "[ . 1 . ]" 1
2035 1 127 VAL H 1 127 VAL MG2 . . 3.760 2.196 2.137 2.251 . 0 0 "[ . 1 . ]" 1
2036 1 127 VAL H 1 127 VAL MG1 . . 3.610 2.572 2.399 2.848 . 0 0 "[ . 1 . ]" 1
2037 1 127 VAL HA 1 128 VAL QG . . 4.940 3.302 2.934 3.468 . 0 0 "[ . 1 . ]" 1
2038 1 127 VAL MG1 1 129 TRP H . . 4.990 4.937 4.547 5.528 0.538 16 1 "[ . 1 .+]" 1
2039 1 127 VAL MG1 1 128 VAL H . . 4.780 3.993 3.740 4.184 . 0 0 "[ . 1 . ]" 1
2040 1 127 VAL MG1 1 132 ALA H . . 5.460 4.763 4.359 4.995 . 0 0 "[ . 1 . ]" 1
2041 1 127 VAL MG1 1 133 ASP H . . 4.800 4.454 4.258 4.609 . 0 0 "[ . 1 . ]" 1
2042 1 127 VAL MG2 1 132 ALA MB . . 4.830 3.419 2.751 3.706 . 0 0 "[ . 1 . ]" 1
2043 1 127 VAL MG2 1 128 VAL H . . 4.780 4.142 3.501 4.445 . 0 0 "[ . 1 . ]" 1
2044 1 127 VAL MG2 1 135 MET ME . . 6.320 5.167 5.029 5.261 . 0 0 "[ . 1 . ]" 1
2045 1 128 VAL H 1 128 VAL QG . . 3.530 2.355 2.217 2.652 . 0 0 "[ . 1 . ]" 1
2046 1 127 VAL MG2 1 128 VAL HA . . 3.890 3.975 3.566 4.239 0.349 15 0 "[ . 1 . ]" 1
2047 1 128 VAL QG 1 129 TRP H . . 4.310 3.218 2.332 3.676 . 0 0 "[ . 1 . ]" 1
2048 1 128 VAL QG 1 129 TRP HD1 . . 4.700 3.590 3.388 3.715 . 0 0 "[ . 1 . ]" 1
2049 1 128 VAL QG 1 129 TRP HE1 . . 4.660 2.641 2.544 2.827 . 0 0 "[ . 1 . ]" 1
2050 1 128 VAL QG 1 129 TRP HB3 . . 4.740 4.774 4.625 4.926 0.186 2 0 "[ . 1 . ]" 1
2051 1 128 VAL QG 1 129 TRP HB2 . . 4.740 5.017 4.753 5.169 0.429 14 0 "[ . 1 . ]" 1
2052 1 128 VAL QG 1 129 TRP QB . . 4.150 4.352 4.182 4.467 0.317 2 0 "[ . 1 . ]" 1
2053 1 134 ILE MG 1 196 LEU QD . . 4.730 2.264 2.035 2.637 . 0 0 "[ . 1 . ]" 1
2054 1 136 ILE H 1 136 ILE HG12 . . 3.560 2.481 2.357 2.558 . 0 0 "[ . 1 . ]" 1
2055 1 136 ILE H 1 136 ILE HG13 . . 3.560 3.967 3.864 4.028 0.468 1 0 "[ . 1 . ]" 1
2056 1 156 LEU H 1 156 LEU QD . . 4.980 3.890 3.845 3.956 . 0 0 "[ . 1 . ]" 1
2057 1 156 LEU QD 1 216 TYR QD . . 5.160 3.313 2.521 3.784 . 0 0 "[ . 1 . ]" 1
2058 1 156 LEU QD 1 186 ILE HB . . 5.220 3.197 3.108 3.327 . 0 0 "[ . 1 . ]" 1
2059 1 156 LEU QD 1 186 ILE QG . . 4.420 2.098 1.991 2.221 . 0 0 "[ . 1 . ]" 1
2060 1 156 LEU QD 1 186 ILE MG . . 4.840 1.976 1.928 2.060 . 0 0 "[ . 1 . ]" 1
2061 1 156 LEU QD 1 186 ILE MD . . 4.130 2.565 2.332 2.883 . 0 0 "[ . 1 . ]" 1
2062 1 156 LEU QD 1 191 ALA MB . . 6.190 2.706 2.487 3.212 . 0 0 "[ . 1 . ]" 1
2063 1 156 LEU QD 1 177 ARG H . . 5.050 4.415 4.160 4.720 . 0 0 "[ . 1 . ]" 1
2064 1 156 LEU QD 1 186 ILE H . . 4.680 4.884 4.757 5.034 0.354 10 0 "[ . 1 . ]" 1
2065 1 156 LEU QD 1 176 GLU QG . . 4.790 2.197 2.132 2.262 . 0 0 "[ . 1 . ]" 1
2066 1 156 LEU QD 1 173 ASP QB . . 5.460 3.268 3.144 3.418 . 0 0 "[ . 1 . ]" 1
2067 1 166 LEU HA 1 166 LEU MD2 . . 4.320 3.084 2.463 3.420 . 0 0 "[ . 1 . ]" 1
2068 1 166 LEU MD1 1 167 GLY H . . 5.740 4.640 4.375 4.966 . 0 0 "[ . 1 . ]" 1
2069 1 166 LEU MD2 1 167 GLY H . . 5.740 3.419 2.965 3.989 . 0 0 "[ . 1 . ]" 1
2070 1 166 LEU MD2 1 169 ASP H . . 4.890 4.357 4.081 4.981 0.091 10 0 "[ . 1 . ]" 1
2071 1 170 ALA H 1 196 LEU QD . . 5.660 4.446 4.254 4.734 . 0 0 "[ . 1 . ]" 1
2072 1 179 THR MG 1 184 LEU H . . 5.440 2.143 2.093 2.316 . 0 0 "[ . 1 . ]" 1
2073 1 189 LEU H 1 189 LEU QD . . 4.000 3.467 3.124 3.773 . 0 0 "[ . 1 . ]" 1
2074 1 189 LEU QB 1 189 LEU QD . . 2.070 2.064 1.969 2.113 0.043 8 0 "[ . 1 . ]" 1
2075 1 189 LEU QD 1 190 TYR HA . . 4.700 3.836 3.433 4.088 . 0 0 "[ . 1 . ]" 1
2076 1 189 LEU QD 1 192 ALA MB . . 4.740 2.978 2.650 3.267 . 0 0 "[ . 1 . ]" 1
2077 1 189 LEU QD 1 224 PHE QE . . 4.730 2.435 2.131 3.412 . 0 0 "[ . 1 . ]" 1
2078 1 192 ALA MB 1 196 LEU QD . . 4.040 2.289 2.224 2.379 . 0 0 "[ . 1 . ]" 1
2079 1 193 THR MG 1 226 LEU MD2 . . 4.710 2.228 2.031 2.718 . 0 0 "[ . 1 . ]" 1
2080 1 194 HIS H 1 211 VAL MG1 . . 4.360 4.629 4.303 4.881 0.521 16 2 "[- . 1 .+]" 1
2081 1 195 ALA H 1 211 VAL MG1 . . 5.940 6.434 6.082 6.812 0.872 1 6 "[+- . * 1* * .*]" 1
2082 1 195 ALA MB 1 196 LEU QD . . 5.060 2.504 2.384 2.603 . 0 0 "[ . 1 . ]" 1
2083 1 196 LEU H 1 196 LEU QD . . 3.790 2.251 2.208 2.294 . 0 0 "[ . 1 . ]" 1
2084 1 196 LEU HA 1 196 LEU QD . . 3.620 2.147 2.125 2.169 . 0 0 "[ . 1 . ]" 1
2085 1 196 LEU QD 1 198 HIS H . . 5.400 5.110 4.979 5.260 . 0 0 "[ . 1 . ]" 1
2086 1 196 LEU QD 1 197 GLY H . . 4.870 4.037 3.969 4.074 . 0 0 "[ . 1 . ]" 1
2087 1 196 LEU QD 1 199 SER H . . 5.360 4.229 4.082 4.391 . 0 0 "[ . 1 . ]" 1
2088 1 197 GLY H 1 200 LEU MD1 . . 4.970 4.724 4.515 4.898 . 0 0 "[ . 1 . ]" 1
2089 1 199 SER H 1 200 LEU MD2 . . 4.810 4.360 4.195 4.544 . 0 0 "[ . 1 . ]" 1
2090 1 200 LEU H 1 200 LEU MD1 . . 4.150 3.840 3.781 3.889 . 0 0 "[ . 1 . ]" 1
2091 1 200 LEU H 1 200 LEU MD2 . . 4.120 3.043 2.889 3.162 . 0 0 "[ . 1 . ]" 1
2092 1 200 LEU HB3 1 200 LEU MD2 . . 3.430 2.582 2.531 2.643 . 0 0 "[ . 1 . ]" 1
2093 1 200 LEU HB3 1 200 LEU MD1 . . 3.520 2.435 2.400 2.473 . 0 0 "[ . 1 . ]" 1
2094 1 200 LEU MD1 1 202 MET ME . . 5.240 4.785 4.173 5.178 . 0 0 "[ . 1 . ]" 1
2095 1 200 LEU MD1 1 201 GLY H . . 5.420 5.545 5.385 5.746 0.326 10 0 "[ . 1 . ]" 1
2096 1 200 LEU MD1 1 202 MET H . . 4.490 4.716 4.501 5.067 0.577 10 1 "[ . + . ]" 1
2097 1 200 LEU MD2 1 202 MET H . . 4.990 5.254 5.049 5.394 0.404 12 0 "[ . 1 . ]" 1
2098 1 200 LEU MD2 1 201 GLY H . . 4.610 4.619 4.528 4.708 0.098 1 0 "[ . 1 . ]" 1
2099 1 202 MET ME 1 226 LEU MD1 . . 6.190 5.272 3.893 6.804 0.614 5 1 "[ + 1 . ]" 1
2100 1 210 ALA MB 1 211 VAL MG1 . . 4.080 4.076 3.960 4.230 0.150 7 0 "[ . 1 . ]" 1
2101 1 211 VAL H 1 211 VAL MG2 . . 3.670 3.754 3.701 3.819 0.149 13 0 "[ . 1 . ]" 1
2102 1 211 VAL MG1 1 212 MET H . . 4.630 2.440 2.296 2.588 . 0 0 "[ . 1 . ]" 1
2103 1 211 VAL MG1 1 227 SER H . . 5.560 3.593 3.225 3.925 . 0 0 "[ . 1 . ]" 1
2104 1 211 VAL MG2 1 226 LEU MD2 . . 2.750 2.540 2.290 2.859 0.109 12 0 "[ . 1 . ]" 1
2105 1 211 VAL MG2 1 227 SER H . . 4.050 3.598 3.322 3.935 . 0 0 "[ . 1 . ]" 1
2106 1 224 PHE QE 1 226 LEU MD2 . . 5.410 3.982 3.013 5.024 . 0 0 "[ . 1 . ]" 1
2107 1 224 PHE QE 1 226 LEU MD1 . . 5.410 5.308 4.382 5.886 0.476 8 0 "[ . 1 . ]" 1
2108 1 226 LEU H 1 226 LEU MD1 . . 4.170 3.808 3.036 4.356 0.186 13 0 "[ . 1 . ]" 1
2109 1 226 LEU H 1 226 LEU MD2 . . 4.820 3.272 2.395 4.148 . 0 0 "[ . 1 . ]" 1
2110 1 226 LEU HA 1 226 LEU MD2 . . 4.360 2.315 2.215 2.500 . 0 0 "[ . 1 . ]" 1
2111 1 226 LEU HB2 1 226 LEU MD1 . . 3.520 2.761 2.244 3.276 . 0 0 "[ . 1 . ]" 1
2112 1 226 LEU HB3 1 226 LEU MD1 . . 3.520 2.475 2.281 2.849 . 0 0 "[ . 1 . ]" 1
2113 1 226 LEU MD1 1 231 ILE QG . . 2.740 2.698 2.498 3.177 0.437 5 0 "[ . 1 . ]" 1
2114 1 226 LEU MD1 1 231 ILE MD . . 4.400 3.298 2.185 3.921 . 0 0 "[ . 1 . ]" 1
2115 1 226 LEU MD1 1 234 ILE MG . . 5.280 4.364 3.605 5.058 . 0 0 "[ . 1 . ]" 1
2116 1 226 LEU MD2 1 227 SER H . . 5.400 3.610 2.810 4.223 . 0 0 "[ . 1 . ]" 1
2117 1 237 LEU H 1 237 LEU QD . . 5.100 3.860 3.827 3.920 . 0 0 "[ . 1 . ]" 1
2118 1 237 LEU HA 1 237 LEU QD . . 3.470 2.962 2.095 3.131 . 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 25
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 1711.430
_Distance_constraint_stats_list.Viol_max 0.645
_Distance_constraint_stats_list.Viol_rms 0.1615
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2674
_Distance_constraint_stats_list.Viol_average_violations_only 0.2947
_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 67 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 133 ASP 3.319 0.217 3 0 "[ . 1 . ]"
1 143 HIS 8.069 0.315 8 0 "[ . 1 . ]"
1 145 ASP 5.711 0.362 6 0 "[ . 1 . ]"
1 150 ASP 8.047 0.509 8 12 "[**-*.**+** ** * ]"
1 151 GLY 10.067 0.645 15 16 [*********-****+*]
1 153 GLY 8.359 0.529 5 16 [****+*-*********]
1 155 THR 3.635 0.241 5 0 "[ . 1 . ]"
1 158 HIS 7.923 0.324 10 0 "[ . 1 . ]"
1 165 GLY 3.387 0.222 15 0 "[ . 1 . ]"
1 167 GLY 6.376 0.418 6 0 "[ . 1 . ]"
1 169 ASP 2.364 0.550 4 1 "[ +. 1 . ]"
1 171 HIS 8.166 0.515 6 16 [*****+***-******]
1 173 ASP 3.798 0.249 13 0 "[ . 1 . ]"
1 176 GLU 3.504 0.226 4 0 "[ . 1 . ]"
1 194 HIS 7.832 0.342 7 0 "[ . 1 . ]"
1 198 HIS 8.214 0.317 12 0 "[ . 1 . ]"
1 204 HIS 8.193 0.333 1 0 "[ . 1 . ]"
2 1 CA 15.446 0.550 4 1 "[ +. 1 . ]"
3 1 CA 37.410 0.645 15 16 [**-***********+*]
4 1 ZN 29.870 0.515 6 16 [*****+***-******]
5 1 ZN 24.239 0.342 7 0 "[ . 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 1 167 GLY O 2 1 CA CA . . 2.200 2.598 2.588 2.618 0.418 6 0 "[ . 1 . ]" 2
2 1 133 ASP O 2 1 CA CA . . 2.200 2.407 2.398 2.417 0.217 3 0 "[ . 1 . ]" 2
3 1 169 ASP OD1 2 1 CA CA . . 2.400 2.410 2.405 2.416 0.016 8 0 "[ . 1 . ]" 2
4 1 169 ASP OD2 2 1 CA CA . . 3.600 3.707 3.384 4.150 0.550 4 1 "[ +. 1 . ]" 2
5 1 165 GLY O 2 1 CA CA . . 2.200 2.412 2.406 2.422 0.222 15 0 "[ . 1 . ]" 2
6 1 155 THR O 3 1 CA CA . . 2.200 2.427 2.413 2.441 0.241 5 0 "[ . 1 . ]" 2
7 1 176 GLU OE2 3 1 CA CA . . 2.200 2.419 2.416 2.426 0.226 4 0 "[ . 1 . ]" 2
8 1 173 ASP OD2 3 1 CA CA . . 2.200 2.437 2.426 2.449 0.249 13 0 "[ . 1 . ]" 2
9 1 151 GLY O 3 1 CA CA . . 1.800 2.429 2.414 2.445 0.645 15 16 [*********-****+*] 2
10 1 150 ASP OD1 3 1 CA CA . . 2.200 2.703 2.689 2.709 0.509 8 12 "[**-*.**+** ** * ]" 2
11 1 153 GLY O 3 1 CA CA . . 2.200 2.722 2.708 2.729 0.529 5 16 [****+*-*********] 2
12 1 158 HIS NE2 4 1 ZN ZN . . 1.944 2.262 2.257 2.268 0.324 10 0 "[ . 1 . ]" 2
13 1 158 HIS CG 4 1 ZN ZN . . 4.010 4.187 4.169 4.213 0.203 16 0 "[ . 1 . ]" 2
14 1 171 HIS ND1 4 1 ZN ZN . . 1.944 2.454 2.450 2.459 0.515 6 16 [*****+***-******] 2
15 1 171 HIS CG 4 1 ZN ZN . . 4.010 3.888 3.880 3.893 . 0 0 "[ . 1 . ]" 2
16 1 145 ASP OD2 4 1 ZN ZN . . 1.900 2.257 2.249 2.262 0.362 6 0 "[ . 1 . ]" 2
17 1 143 HIS NE2 4 1 ZN ZN . . 1.944 2.250 2.238 2.259 0.315 8 0 "[ . 1 . ]" 2
18 1 143 HIS CG 4 1 ZN ZN . . 4.010 4.209 4.190 4.231 0.221 10 0 "[ . 1 . ]" 2
19 1 204 HIS NE2 5 1 ZN ZN . . 1.944 2.260 2.240 2.277 0.333 1 0 "[ . 1 . ]" 2
20 1 204 HIS CG 5 1 ZN ZN . . 4.010 4.206 4.179 4.247 0.237 5 0 "[ . 1 . ]" 2
21 1 198 HIS NE2 5 1 ZN ZN . . 1.944 2.236 2.209 2.261 0.317 12 0 "[ . 1 . ]" 2
22 1 198 HIS CG 5 1 ZN ZN . . 4.010 4.231 4.197 4.299 0.289 3 0 "[ . 1 . ]" 2
23 1 194 HIS NE2 5 1 ZN ZN . . 1.944 2.267 2.247 2.286 0.342 7 0 "[ . 1 . ]" 2
24 1 194 HIS CG 5 1 ZN ZN . . 4.010 4.177 4.150 4.208 0.198 12 0 "[ . 1 . ]" 2
25 1 67 CYS SG 5 1 ZN ZN . . 3.500 2.502 2.492 2.513 . 0 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 232.774
_Distance_constraint_stats_list.Viol_max 1.158
_Distance_constraint_stats_list.Viol_rms 0.2732
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1010
_Distance_constraint_stats_list.Viol_average_violations_only 0.5596
_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 87 LYS 0.795 0.285 5 0 "[ . 1 . ]"
1 96 TYR 13.471 1.158 9 15 "[*-******+****** ]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 114 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 124 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 128 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 129 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 241 ARG 0.282 0.140 16 0 "[ . 1 . ]"
6 1 SGN 14.548 1.158 9 15 "[*-******+****** ]"
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 87 LYS N 6 1 SGN C1 . . 16.680 16.290 14.841 16.965 0.285 5 0 "[ . 1 . ]" 3
2 1 96 TYR N 6 1 SGN C1 . . 18.860 19.702 19.333 20.018 1.158 9 15 "[*-******+****** ]" 3
3 1 107 ARG N 6 1 SGN C1 . . 18.630 9.958 9.051 10.677 . 0 0 "[ . 1 . ]" 3
4 1 114 ASN N 6 1 SGN C1 . . 18.630 6.686 5.594 7.569 . 0 0 "[ . 1 . ]" 3
5 1 124 PHE N 6 1 SGN C1 . . 16.450 7.587 6.084 8.235 . 0 0 "[ . 1 . ]" 3
6 1 126 LYS N 6 1 SGN C1 . . 16.000 6.337 5.950 6.794 . 0 0 "[ . 1 . ]" 3
7 1 128 VAL N 6 1 SGN C1 . . 14.950 11.457 11.028 12.169 . 0 0 "[ . 1 . ]" 3
8 1 129 TRP HE1 6 1 SGN C1 . . 17.800 13.273 12.716 14.063 . 0 0 "[ . 1 . ]" 3
9 1 241 ARG N 6 1 SGN C1 . . 19.320 19.117 17.613 19.460 0.140 16 0 "[ . 1 . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 5
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 139.489
_Distance_constraint_stats_list.Viol_max 0.978
_Distance_constraint_stats_list.Viol_rms 0.2261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1090
_Distance_constraint_stats_list.Viol_average_violations_only 0.3487
_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 66 ARG 4.625 0.978 16 3 "[ . -1* .+]"
1 71 ASP 4.625 0.978 16 3 "[ . -1* .+]"
1 84 TRP 0.657 0.657 5 1 "[ + 1 . ]"
1 90 THR 1.685 0.732 6 2 "[ .+ 1 .-]"
1 133 ASP 1.685 0.732 6 2 "[ .+ 1 .-]"
1 154 ASN 1.751 0.487 11 0 "[ . 1 . ]"
1 155 THR 1.751 0.487 11 0 "[ . 1 . ]"
1 238 TYR 0.657 0.657 5 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 66 ARG NH1 1 71 ASP OD2 . . 4.000 4.002 2.884 4.978 0.978 16 2 "[ . 1- .+]" 4
2 1 66 ARG NH2 1 71 ASP OD1 . . 4.000 3.841 3.086 4.533 0.533 9 1 "[ . +1 . ]" 4
3 1 154 ASN OD1 1 155 THR HG1 . . 2.400 2.386 1.957 2.887 0.487 11 0 "[ . 1 . ]" 4
4 1 90 THR HG1 1 133 ASP OD2 . . 2.400 2.279 1.947 3.132 0.732 6 2 "[ .+ 1 .-]" 4
5 1 84 TRP O 1 238 TYR HH . . 2.400 2.053 1.810 3.057 0.657 5 1 "[ + 1 . ]" 4
stop_
save_
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