NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370316 |
1bm6   |
4173 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bm6
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 1052
_Distance_constraint_stats_list.Viol_count 6167
_Distance_constraint_stats_list.Viol_total 21829.404
_Distance_constraint_stats_list.Viol_max 1.772
_Distance_constraint_stats_list.Viol_rms 0.1585
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0519
_Distance_constraint_stats_list.Viol_average_violations_only 0.1770
_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 ARG 0.275 0.161 18 0 "[ . 1 . 2]"
1 3 THR 0.708 0.161 18 0 "[ . 1 . 2]"
1 4 PHE 0.010 0.006 6 0 "[ . 1 . 2]"
1 7 ILE 0.003 0.003 20 0 "[ . 1 . 2]"
1 8 PRO 0.055 0.019 4 0 "[ . 1 . 2]"
1 9 LYS 1.095 0.152 19 0 "[ . 1 . 2]"
1 10 TRP 22.112 1.152 20 19 "[*-*********** *****+]"
1 11 ARG 0.180 0.044 11 0 "[ . 1 . 2]"
1 12 LYS 7.222 0.237 2 0 "[ . 1 . 2]"
1 13 THR 0.077 0.031 1 0 "[ . 1 . 2]"
1 14 HIS 7.335 0.237 2 0 "[ . 1 . 2]"
1 15 LEU 5.598 0.196 20 0 "[ . 1 . 2]"
1 16 THR 8.711 0.181 14 0 "[ . 1 . 2]"
1 17 TYR 9.712 0.218 18 0 "[ . 1 . 2]"
1 18 ARG 58.315 1.239 9 20 [********+***-*******]
1 19 ILE 60.675 1.285 7 20 [*-****+*************]
1 20 VAL 42.473 1.239 9 20 [*-******+***********]
1 21 ASN 12.459 0.377 17 0 "[ . 1 . 2]"
1 22 TYR 8.014 0.290 16 0 "[ . 1 . 2]"
1 23 THR 2.136 0.157 12 0 "[ . 1 . 2]"
1 24 PRO 4.789 0.319 12 0 "[ . 1 . 2]"
1 25 ASP 4.485 0.157 12 0 "[ . 1 . 2]"
1 26 LEU 15.250 0.319 12 0 "[ . 1 . 2]"
1 27 PRO 0.592 0.044 18 0 "[ . 1 . 2]"
1 28 LYS 3.613 0.140 20 0 "[ . 1 . 2]"
1 29 ASP 6.962 0.155 10 0 "[ . 1 . 2]"
1 30 ALA 4.933 0.180 3 0 "[ . 1 . 2]"
1 31 VAL 8.042 0.156 13 0 "[ . 1 . 2]"
1 32 ASP 2.414 0.142 9 0 "[ . 1 . 2]"
1 33 SER 5.589 0.167 6 0 "[ . 1 . 2]"
1 34 ALA 28.485 0.636 11 20 [****-*****+*********]
1 35 VAL 13.549 0.412 10 0 "[ . 1 . 2]"
1 36 GLU 33.812 0.661 10 20 [*******-*+**********]
1 37 LYS 33.576 0.636 11 20 [****-*****+*********]
1 38 ALA 29.196 0.474 10 0 "[ . 1 . 2]"
1 39 LEU 38.306 0.806 12 20 [*******-***+********]
1 40 LYS 18.948 0.389 1 0 "[ . 1 . 2]"
1 41 VAL 5.500 0.216 19 0 "[ . 1 . 2]"
1 42 TRP 41.508 1.226 4 17 "[***+*****- ** .*****]"
1 43 GLU 42.327 1.259 6 20 [*****+**************]
1 44 GLU 13.532 0.238 17 0 "[ . 1 . 2]"
1 45 VAL 10.835 0.228 19 0 "[ . 1 . 2]"
1 46 THR 17.024 0.315 9 0 "[ . 1 . 2]"
1 47 PRO 11.707 0.754 13 15 "[***** *** -+** * **]"
1 48 LEU 20.299 1.259 6 18 "[** **+**-********* *]"
1 49 THR 0.627 0.074 1 0 "[ . 1 . 2]"
1 50 PHE 0.303 0.061 1 0 "[ . 1 . 2]"
1 51 SER 2.994 0.155 13 0 "[ . 1 . 2]"
1 52 ARG 1.292 0.107 12 0 "[ . 1 . 2]"
1 53 LEU 2.832 0.136 3 0 "[ . 1 . 2]"
1 54 TYR 2.683 0.158 18 0 "[ . 1 . 2]"
1 55 GLU 3.629 0.912 3 2 "[ + . 1 . - 2]"
1 56 GLY 0.180 0.076 18 0 "[ . 1 . 2]"
1 57 GLU 11.294 0.700 7 12 "[** ** +- * **. ***2]"
1 58 ALA 32.944 1.218 13 20 [*******-****+*******]
1 59 ASP 8.033 0.218 18 0 "[ . 1 . 2]"
1 60 ILE 44.876 1.218 13 20 [************+***-***]
1 61 MET 14.687 0.837 10 20 [*********+**-*******]
1 62 ILE 51.965 1.285 7 20 [******+*********-***]
1 63 SER 21.117 0.744 16 12 "[* *-* * 1 * *.+****]"
1 64 PHE 2.488 0.102 8 0 "[ . 1 . 2]"
1 65 ALA 16.790 0.933 3 14 "[* +*-* **** *** ** 2]"
1 66 VAL 12.688 0.702 6 8 "[* **.+ *1* - * 2]"
1 67 ARG 24.854 1.292 2 19 "[*+-*** *************]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 HIS 2.440 0.216 2 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 25.076 1.298 7 20 [******+*-***********]
1 75 PHE 29.119 1.292 2 19 "[*+-*** *************]"
1 76 ASP 7.041 0.261 4 0 "[ . 1 . 2]"
1 77 GLY 5.480 0.225 9 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.248 0.071 3 0 "[ . 1 . 2]"
1 81 VAL 0.756 0.090 7 0 "[ . 1 . 2]"
1 82 LEU 12.813 0.965 3 12 "[ *+**** ***- ** 2]"
1 83 ALA 12.970 0.965 3 12 "[ *+**** ***- ** 2]"
1 84 HIS 39.682 1.298 7 20 [****-*+*************]
1 85 ALA 2.421 0.153 4 0 "[ . 1 . 2]"
1 86 TYR 11.619 0.920 11 6 "[ .* *+* .*- 2]"
1 87 ALA 0.429 0.094 16 0 "[ . 1 . 2]"
1 89 GLY 0.017 0.017 9 0 "[ . 1 . 2]"
1 91 GLY 3.467 0.234 2 0 "[ . 1 . 2]"
1 92 ILE 36.265 1.319 8 20 [*******+*-**********]
1 93 ASN 13.615 0.575 6 10 "[ * *+ -* * . ****]"
1 94 GLY 2.507 0.124 16 0 "[ . 1 . 2]"
1 95 ASP 34.041 1.319 8 20 [*******+********-***]
1 96 ALA 15.767 0.604 7 3 "[ * . + 1 - 2]"
1 97 HIS 33.130 0.933 3 19 "[* +-****************]"
1 98 PHE 6.145 0.152 1 0 "[ . 1 . 2]"
1 99 ASP 0.200 0.061 5 0 "[ . 1 . 2]"
1 100 ASP 8.171 0.702 6 8 "[* **.+ *1* - * 2]"
1 101 ASP 2.707 0.225 9 0 "[ . 1 . 2]"
1 102 GLU 3.144 0.235 1 0 "[ . 1 . 2]"
1 103 GLN 11.148 1.213 7 5 "[ .*+ -* * . 2]"
1 104 TRP 3.804 0.180 8 0 "[ . 1 . 2]"
1 105 THR 18.058 0.762 12 4 "[- * . 1 + *. 2]"
1 106 LYS 4.382 0.245 2 0 "[ . 1 . 2]"
1 107 ASP 8.650 0.201 13 0 "[ . 1 . 2]"
1 108 THR 28.176 1.279 2 20 [*+***************-**]
1 109 THR 5.241 0.171 14 0 "[ . 1 . 2]"
1 110 GLY 8.054 0.279 3 0 "[ . 1 . 2]"
1 111 THR 17.001 1.213 7 5 "[ .*+ -* * . 2]"
1 112 ASN 11.350 0.380 14 0 "[ . 1 . 2]"
1 113 LEU 19.200 0.762 12 4 "[- * . 1 + *. 2]"
1 114 PHE 15.821 0.313 3 0 "[ . 1 . 2]"
1 115 LEU 12.659 0.380 14 0 "[ . 1 . 2]"
1 116 VAL 10.918 0.403 5 0 "[ . 1 . 2]"
1 117 ALA 5.722 0.287 13 0 "[ . 1 . 2]"
1 118 ALA 37.888 0.559 8 6 "[*** . + 1 * . -2]"
1 119 HIS 13.571 0.403 5 0 "[ . 1 . 2]"
1 120 GLU 21.058 0.559 8 4 "[* . + 1 * . -2]"
1 121 ILE 29.666 0.570 16 7 "[ ** . **1 .+* -2]"
1 122 GLY 17.254 0.273 2 0 "[ . 1 . 2]"
1 123 HIS 18.729 0.570 16 3 "[ . *1 .+- 2]"
1 124 SER 2.957 0.131 14 0 "[ . 1 . 2]"
1 125 LEU 11.347 0.276 10 0 "[ . 1 . 2]"
1 126 GLY 1.455 0.241 12 0 "[ . 1 . 2]"
1 127 LEU 8.402 0.194 15 0 "[ . 1 . 2]"
1 128 PHE 1.791 0.100 17 0 "[ . 1 . 2]"
1 130 SER 9.400 0.470 19 0 "[ . 1 . 2]"
1 131 ALA 17.978 0.546 13 2 "[ . 1 + . -]"
1 132 ASN 11.769 0.435 15 0 "[ . 1 . 2]"
1 133 THR 10.057 0.546 13 2 "[ . 1 + . -]"
1 134 GLU 6.114 0.180 3 0 "[ . 1 . 2]"
1 135 ALA 18.815 0.415 9 0 "[ . 1 . 2]"
1 136 LEU 16.867 0.378 4 0 "[ . 1 . 2]"
1 137 MET 9.555 0.445 15 0 "[ . 1 . 2]"
1 138 TYR 2.272 0.242 20 0 "[ . 1 . 2]"
1 139 PRO 3.226 0.200 15 0 "[ . 1 . 2]"
1 140 LEU 8.165 0.445 15 0 "[ . 1 . 2]"
1 141 TYR 1.567 0.103 14 0 "[ . 1 . 2]"
1 142 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 SER 0.156 0.061 17 0 "[ . 1 . 2]"
1 144 LEU 36.518 1.772 5 20 [****+************-**]
1 145 THR 22.961 1.306 17 19 "[* **************+*-*]"
1 147 LEU 33.288 1.358 19 20 [*-****************+*]
1 148 THR 0.081 0.029 7 0 "[ . 1 . 2]"
1 149 ARG 28.774 1.358 19 20 [*-****************+*]
1 150 PHE 13.770 0.775 19 13 "[ * .* **-* **** *+*]"
1 151 ARG 52.809 1.772 5 20 [****+****-**********]
1 152 LEU 19.712 1.226 4 8 "[ **+* *- * . *2]"
1 153 SER 14.871 0.435 15 0 "[ . 1 . 2]"
1 154 GLN 5.470 0.180 3 0 "[ . 1 . 2]"
1 155 ASP 11.143 0.470 19 0 "[ . 1 . 2]"
1 156 ASP 14.864 0.415 9 0 "[ . 1 . 2]"
1 157 ILE 0.417 0.056 4 0 "[ . 1 . 2]"
1 158 ASN 4.947 0.211 5 0 "[ . 1 . 2]"
1 159 GLY 2.585 0.120 19 0 "[ . 1 . 2]"
1 160 ILE 9.202 0.228 19 0 "[ . 1 . 2]"
1 161 GLN 4.369 0.168 19 0 "[ . 1 . 2]"
1 162 SER 0.412 0.064 10 0 "[ . 1 . 2]"
1 163 LEU 43.002 1.152 20 19 "[*-*********** *****+]"
1 164 TYR 18.670 1.081 5 19 "[*-**+******** ******]"
1 165 GLY 12.024 0.754 13 15 "[***** *** -+** * **]"
1 168 PRO 11.634 0.794 20 15 "[****** *** **-**+]"
1 169 ASP 11.736 0.794 20 15 "[****** *** **-**+]"
1 170 SER 0.121 0.053 17 0 "[ . 1 . 2]"
1 171 PRO 13.931 0.786 4 20 [***+*************-**]
1 172 GLU 13.955 0.786 4 20 [***+*************-**]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG HB3 1 3 THR H 3.060 . 3.800 3.455 2.336 3.815 0.015 14 0 "[ . 1 . 2]" 1
2 1 2 ARG HG3 1 3 THR H 2.940 . 3.800 2.866 1.884 3.961 0.161 18 0 "[ . 1 . 2]" 1
3 1 3 THR HB 1 4 PHE H 3.400 . 3.800 3.202 1.895 3.806 0.006 6 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 PHE H 3.290 . 3.800 2.761 2.199 3.584 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 128 PHE H 2.780 . 2.800 2.679 2.280 2.813 0.013 20 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR HG1 2.940 . 5.000 3.656 1.960 4.540 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 3 THR HA 2.520 . 2.800 2.809 2.764 2.961 0.161 12 0 "[ . 1 . 2]" 1
8 1 7 ILE H 1 7 ILE HG12 3.190 . 3.800 3.146 1.995 3.803 0.003 20 0 "[ . 1 . 2]" 1
9 1 7 ILE H 1 7 ILE HA 2.920 . 3.800 2.915 2.750 2.992 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HA 1 9 LYS H 2.390 . 2.800 2.561 2.222 2.819 0.019 4 0 "[ . 1 . 2]" 1
11 1 9 LYS HG2 1 10 TRP H 3.420 . 3.800 3.540 2.484 3.952 0.152 19 0 "[ . 1 . 2]" 1
12 1 9 LYS HA 1 10 TRP H 2.930 . 3.800 3.550 3.498 3.585 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS H 1 9 LYS HB2 2.960 . 3.800 2.405 2.080 3.119 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 9 LYS HG2 2.950 . 5.000 4.632 4.188 4.794 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS HD3 1 125 LEU H 2.850 . 5.000 4.819 4.368 5.067 0.067 15 0 "[ . 1 . 2]" 1
16 1 9 LYS H 1 9 LYS HG3 2.810 . 5.000 4.124 3.297 4.468 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS H 1 163 LEU HG 2.880 . 5.000 3.248 2.090 4.718 . 0 0 "[ . 1 . 2]" 1
18 1 10 TRP HB3 1 12 LYS H 3.040 . 3.800 3.456 3.272 3.804 0.004 1 0 "[ . 1 . 2]" 1
19 1 10 TRP HB2 1 12 LYS H 3.120 . 5.000 4.984 4.740 5.067 0.067 12 0 "[ . 1 . 2]" 1
20 1 10 TRP HZ2 1 94 GLY H 3.580 . 5.000 4.711 3.098 5.087 0.087 16 0 "[ . 1 . 2]" 1
21 1 10 TRP H 1 125 LEU HA 3.140 . 3.800 3.862 3.783 3.940 0.140 14 0 "[ . 1 . 2]" 1
22 1 10 TRP HD1 1 125 LEU H 3.590 . 5.000 4.859 4.329 5.103 0.103 10 0 "[ . 1 . 2]" 1
23 1 10 TRP HE1 1 125 LEU MD2 3.540 . 4.800 3.140 1.803 3.891 0.097 19 0 "[ . 1 . 2]" 1
24 1 10 TRP H 1 10 TRP HB2 3.260 . 3.800 2.354 2.135 2.603 . 0 0 "[ . 1 . 2]" 1
25 1 10 TRP H 1 10 TRP HD1 2.970 . 3.800 3.166 2.237 3.832 0.032 19 0 "[ . 1 . 2]" 1
26 1 10 TRP H 1 10 TRP HB3 3.300 . 3.800 3.595 3.464 3.703 . 0 0 "[ . 1 . 2]" 1
27 1 10 TRP H 1 163 LEU QB 2.910 . 3.800 4.738 3.905 4.952 1.152 20 19 "[*-*********** *****+]" 1
28 1 11 ARG HG3 1 12 LYS H 3.000 . 3.800 1.926 1.885 2.098 0.015 13 0 "[ . 1 . 2]" 1
29 1 11 ARG HD3 1 12 LYS H 3.120 . 3.800 3.343 2.668 3.761 . 0 0 "[ . 1 . 2]" 1
30 1 11 ARG HB2 1 12 LYS H 3.000 . 3.800 3.651 3.012 3.844 0.044 11 0 "[ . 1 . 2]" 1
31 1 11 ARG HG2 1 12 LYS H 3.050 . 3.800 3.607 3.488 3.806 0.006 11 0 "[ . 1 . 2]" 1
32 1 11 ARG HB3 1 12 LYS H 3.220 . 5.000 4.028 3.889 4.158 . 0 0 "[ . 1 . 2]" 1
33 1 12 LYS HE3 1 15 LEU H 3.010 . 3.800 3.797 3.353 3.883 0.083 13 0 "[ . 1 . 2]" 1
34 1 12 LYS HE3 1 14 HIS H 2.690 . 2.800 2.825 2.552 2.869 0.069 11 0 "[ . 1 . 2]" 1
35 1 12 LYS HG3 1 14 HIS H 3.630 . 3.800 2.731 2.221 3.020 . 0 0 "[ . 1 . 2]" 1
36 1 12 LYS HB3 1 13 THR H 3.080 . 3.800 3.448 3.350 3.612 . 0 0 "[ . 1 . 2]" 1
37 1 12 LYS HB3 1 14 HIS H 2.800 . 3.800 3.959 3.918 4.037 0.237 2 0 "[ . 1 . 2]" 1
38 1 12 LYS H 1 12 LYS HG3 2.810 . 3.800 3.350 3.200 3.432 . 0 0 "[ . 1 . 2]" 1
39 1 12 LYS H 1 12 LYS HD3 3.000 . 3.800 3.777 3.566 3.894 0.094 6 0 "[ . 1 . 2]" 1
40 1 12 LYS H 1 12 LYS HD2 3.050 . 5.000 3.546 3.194 4.028 . 0 0 "[ . 1 . 2]" 1
41 1 12 LYS H 1 12 LYS HE3 3.270 . 5.000 4.969 4.873 5.020 0.020 8 0 "[ . 1 . 2]" 1
42 1 12 LYS H 1 12 LYS HG2 2.970 . 3.800 1.833 1.804 1.861 0.096 7 0 "[ . 1 . 2]" 1
43 1 12 LYS H 1 12 LYS HB3 2.770 . 2.800 2.719 2.660 2.772 . 0 0 "[ . 1 . 2]" 1
44 1 13 THR HA 1 14 HIS H 3.100 . 3.800 3.312 3.255 3.413 . 0 0 "[ . 1 . 2]" 1
45 1 13 THR HG1 1 14 HIS H 3.100 . 3.800 3.523 2.776 3.831 0.031 1 0 "[ . 1 . 2]" 1
46 1 13 THR H 1 13 THR HG1 3.240 . 3.800 2.456 1.899 3.775 0.001 11 0 "[ . 1 . 2]" 1
47 1 14 HIS HB3 1 15 LEU H 3.010 . 3.800 3.936 3.850 3.996 0.196 20 0 "[ . 1 . 2]" 1
48 1 14 HIS HA 1 49 THR H 3.140 . 3.800 3.083 2.818 3.559 . 0 0 "[ . 1 . 2]" 1
49 1 14 HIS HA 1 15 LEU H 2.690 . 3.800 2.251 2.228 2.273 . 0 0 "[ . 1 . 2]" 1
50 1 14 HIS H 1 15 LEU H 3.540 . 3.800 3.749 3.617 3.825 0.025 11 0 "[ . 1 . 2]" 1
51 1 14 HIS H 1 14 HIS HB2 2.760 . 2.800 2.722 2.610 2.813 0.013 2 0 "[ . 1 . 2]" 1
52 1 14 HIS H 1 14 HIS HB3 2.690 . 3.800 3.820 3.737 3.895 0.095 2 0 "[ . 1 . 2]" 1
53 1 15 LEU HB3 1 16 THR H 3.380 . 3.800 2.387 2.012 2.712 . 0 0 "[ . 1 . 2]" 1
54 1 15 LEU MD1 1 16 THR H 3.100 . 4.800 3.429 2.840 4.011 . 0 0 "[ . 1 . 2]" 1
55 1 15 LEU HB2 1 16 THR H 2.950 . 3.800 3.309 2.079 3.762 . 0 0 "[ . 1 . 2]" 1
56 1 15 LEU H 1 50 PHE HA 3.380 . 4.600 2.804 2.484 2.981 . 0 0 "[ . 1 . 2]" 1
57 1 15 LEU H 1 50 PHE QD 3.320 . 5.000 3.802 1.876 4.374 0.024 17 0 "[ . 1 . 2]" 1
58 1 15 LEU H 1 51 SER H 3.280 . 4.800 4.661 4.357 4.826 0.026 20 0 "[ . 1 . 2]" 1
59 1 15 LEU HB2 1 51 SER H 3.450 . 5.000 4.620 4.396 4.869 . 0 0 "[ . 1 . 2]" 1
60 1 15 LEU H 1 15 LEU HG 2.870 . 3.800 3.485 2.214 3.971 0.171 2 0 "[ . 1 . 2]" 1
61 1 15 LEU H 1 15 LEU HB3 3.050 . 3.800 3.656 3.552 3.848 0.048 13 0 "[ . 1 . 2]" 1
62 1 15 LEU H 1 15 LEU MD2 3.380 . 4.800 2.465 1.745 3.988 0.155 20 0 "[ . 1 . 2]" 1
63 1 16 THR H 1 59 ASP H 3.390 . 3.800 2.955 2.852 3.063 . 0 0 "[ . 1 . 2]" 1
64 1 16 THR HB 1 51 SER H 3.630 . 3.800 3.259 1.889 3.809 0.011 13 0 "[ . 1 . 2]" 1
65 1 16 THR H 1 58 ALA HA 2.550 . 5.000 5.104 5.025 5.171 0.171 18 0 "[ . 1 . 2]" 1
66 1 16 THR H 1 58 ALA MB 2.950 . 4.800 3.820 3.734 3.902 . 0 0 "[ . 1 . 2]" 1
67 1 16 THR HG1 1 59 ASP H 3.200 . 5.000 3.768 3.632 3.847 . 0 0 "[ . 1 . 2]" 1
68 1 16 THR HG1 1 60 ILE H 3.260 . 5.000 5.099 5.070 5.181 0.181 14 0 "[ . 1 . 2]" 1
69 1 16 THR HA 1 51 SER H 2.330 . 3.800 1.859 1.813 1.895 0.087 11 0 "[ . 1 . 2]" 1
70 1 16 THR HA 1 17 TYR H 2.550 . 2.800 2.404 2.361 2.574 . 0 0 "[ . 1 . 2]" 1
71 1 16 THR HG1 1 17 TYR H 2.840 . 5.000 1.832 1.801 1.876 0.099 14 0 "[ . 1 . 2]" 1
72 1 16 THR HB 1 17 TYR H 2.850 . 3.800 3.756 3.104 3.864 0.064 17 0 "[ . 1 . 2]" 1
73 1 16 THR HG1 1 51 SER H 2.990 . 3.800 3.896 3.866 3.955 0.155 13 0 "[ . 1 . 2]" 1
74 1 16 THR H 1 16 THR HG1 2.890 . 5.000 4.288 4.227 4.383 . 0 0 "[ . 1 . 2]" 1
75 1 17 TYR HA 1 18 ARG H 2.910 . 3.800 2.462 2.403 2.577 . 0 0 "[ . 1 . 2]" 1
76 1 17 TYR HB2 1 18 ARG H 2.970 . 3.800 2.468 2.139 2.700 . 0 0 "[ . 1 . 2]" 1
77 1 17 TYR H 1 52 ARG HA 3.530 . 3.800 2.351 1.961 2.689 . 0 0 "[ . 1 . 2]" 1
78 1 17 TYR H 1 58 ALA MB 2.870 . 4.800 2.739 2.616 2.866 . 0 0 "[ . 1 . 2]" 1
79 1 17 TYR HB2 1 59 ASP H 3.060 . 5.000 5.067 4.701 5.182 0.182 11 0 "[ . 1 . 2]" 1
80 1 17 TYR HB2 1 60 ILE H 2.850 . 5.000 3.668 2.957 4.095 . 0 0 "[ . 1 . 2]" 1
81 1 17 TYR HB3 1 60 ILE H 3.300 . 5.000 3.371 2.908 3.921 . 0 0 "[ . 1 . 2]" 1
82 1 17 TYR HA 1 60 ILE H 3.270 . 5.000 1.900 1.844 2.000 0.056 10 0 "[ . 1 . 2]" 1
83 1 17 TYR H 1 52 ARG HB3 2.840 . 3.800 3.747 2.966 3.907 0.107 12 0 "[ . 1 . 2]" 1
84 1 17 TYR HB3 1 18 ARG H 3.110 . 3.800 3.791 3.459 3.946 0.146 17 0 "[ . 1 . 2]" 1
85 1 17 TYR H 1 17 TYR HB3 3.480 . 3.800 3.207 2.917 3.652 . 0 0 "[ . 1 . 2]" 1
86 1 17 TYR H 1 17 TYR HB2 3.160 . 3.800 3.836 3.603 3.918 0.118 5 0 "[ . 1 . 2]" 1
87 1 17 TYR H 1 18 ARG H 3.420 . 5.000 4.450 4.412 4.482 . 0 0 "[ . 1 . 2]" 1
88 1 17 TYR H 1 59 ASP H 3.220 . 3.800 3.949 3.890 4.018 0.218 18 0 "[ . 1 . 2]" 1
89 1 18 ARG H 1 61 MET H 3.500 . 5.000 4.396 4.289 4.572 . 0 0 "[ . 1 . 2]" 1
90 1 18 ARG QB 1 61 MET H 2.960 . 3.800 4.507 4.306 4.637 0.837 10 20 [*********+**-*******] 1
91 1 18 ARG H 1 62 ILE QG 2.660 . 5.000 2.735 2.513 2.885 . 0 0 "[ . 1 . 2]" 1
92 1 18 ARG H 1 58 ALA MB 2.660 . 3.800 2.769 2.571 2.941 . 0 0 "[ . 1 . 2]" 1
93 1 18 ARG H 1 60 ILE H 3.420 . 3.800 3.738 3.597 3.854 0.054 13 0 "[ . 1 . 2]" 1
94 1 18 ARG QB 1 58 ALA H 2.830 . 3.800 2.330 2.255 2.464 . 0 0 "[ . 1 . 2]" 1
95 1 18 ARG HG2 1 55 GLU H 3.290 . 3.800 3.766 3.356 3.848 0.048 1 0 "[ . 1 . 2]" 1
96 1 18 ARG HG2 1 53 LEU H 3.020 . 3.800 3.687 2.920 3.883 0.083 13 0 "[ . 1 . 2]" 1
97 1 18 ARG HG2 1 19 ILE H 2.730 . 2.800 2.818 2.452 2.915 0.115 18 0 "[ . 1 . 2]" 1
98 1 18 ARG HA 1 19 ILE H 2.850 . 3.800 2.225 2.187 2.298 . 0 0 "[ . 1 . 2]" 1
99 1 18 ARG QB 1 19 ILE H 2.700 . 2.800 3.611 3.283 3.770 0.970 6 19 "[*-***+****** *******]" 1
100 1 18 ARG H 1 62 ILE MD 2.930 . 4.800 3.855 3.575 3.968 . 0 0 "[ . 1 . 2]" 1
101 1 18 ARG H 1 61 MET HA 3.250 . 3.800 2.532 2.370 2.886 . 0 0 "[ . 1 . 2]" 1
102 1 18 ARG H 1 60 ILE HB 2.480 . 3.800 3.781 3.373 3.884 0.084 15 0 "[ . 1 . 2]" 1
103 1 18 ARG HA 1 20 VAL H 2.980 . 3.800 4.930 4.595 5.039 1.239 9 20 [********+********-**] 1
104 1 18 ARG QB 1 62 ILE H 3.450 . 5.000 3.104 2.895 3.266 . 0 0 "[ . 1 . 2]" 1
105 1 18 ARG H 1 62 ILE H 3.620 . 3.800 2.571 2.496 2.721 . 0 0 "[ . 1 . 2]" 1
106 1 18 ARG HA 1 62 ILE H 3.310 . 5.000 4.565 4.477 4.706 . 0 0 "[ . 1 . 2]" 1
107 1 18 ARG H 1 18 ARG QB 2.860 . 3.800 2.565 2.491 2.623 . 0 0 "[ . 1 . 2]" 1
108 1 18 ARG HA 1 58 ALA H 2.530 . 5.000 4.745 4.551 5.009 0.009 12 0 "[ . 1 . 2]" 1
109 1 18 ARG HG3 1 54 TYR H 2.760 . 5.000 3.563 3.178 4.191 . 0 0 "[ . 1 . 2]" 1
110 1 18 ARG HG2 1 20 VAL H 3.390 . 5.000 4.974 4.805 5.049 0.049 13 0 "[ . 1 . 2]" 1
111 1 18 ARG HA 1 54 TYR H 2.820 . 5.000 5.104 5.046 5.158 0.158 18 0 "[ . 1 . 2]" 1
112 1 19 ILE HA 1 20 VAL H 2.980 . 3.800 2.408 2.337 2.600 . 0 0 "[ . 1 . 2]" 1
113 1 19 ILE H 1 62 ILE HB 3.110 . 3.800 4.997 4.748 5.085 1.285 7 20 [******+**-**********] 1
114 1 19 ILE HA 1 62 ILE H 3.310 . 3.800 3.882 3.835 3.970 0.170 17 0 "[ . 1 . 2]" 1
115 1 19 ILE HG13 1 36 GLU H 2.820 . 5.000 5.107 5.027 5.189 0.189 12 0 "[ . 1 . 2]" 1
116 1 19 ILE HA 1 21 ASN H 3.210 . 3.800 3.124 2.952 3.227 . 0 0 "[ . 1 . 2]" 1
117 1 19 ILE MD 1 20 VAL H 3.260 . 4.800 4.436 4.249 4.605 . 0 0 "[ . 1 . 2]" 1
118 1 19 ILE MG 1 20 VAL H 2.730 . 5.000 3.533 3.397 3.790 . 0 0 "[ . 1 . 2]" 1
119 1 19 ILE HB 1 20 VAL H 3.390 . 3.800 4.497 4.422 4.548 0.748 5 20 [*-**+***************] 1
120 1 19 ILE H 1 19 ILE HG13 3.220 . 3.800 3.704 3.431 3.878 0.078 3 0 "[ . 1 . 2]" 1
121 1 19 ILE H 1 19 ILE HA 2.850 . 3.800 2.945 2.919 2.979 . 0 0 "[ . 1 . 2]" 1
122 1 19 ILE H 1 19 ILE MD 3.480 . 4.800 1.815 1.737 1.908 0.163 12 0 "[ . 1 . 2]" 1
123 1 19 ILE H 1 19 ILE HB 2.730 . 2.800 2.419 2.339 2.595 . 0 0 "[ . 1 . 2]" 1
124 1 19 ILE H 1 62 ILE QG 3.030 . 5.000 4.722 4.268 4.785 . 0 0 "[ . 1 . 2]" 1
125 1 19 ILE H 1 35 VAL MG1 3.220 . 5.000 4.118 3.981 4.343 . 0 0 "[ . 1 . 2]" 1
126 1 20 VAL MG2 1 21 ASN H 2.610 . 3.800 4.020 3.795 4.177 0.377 17 0 "[ . 1 . 2]" 1
127 1 20 VAL H 1 62 ILE QG 2.730 . 5.000 4.004 3.792 4.133 . 0 0 "[ . 1 . 2]" 1
128 1 20 VAL H 1 62 ILE MG 3.300 . 5.500 4.130 3.927 4.449 . 0 0 "[ . 1 . 2]" 1
129 1 20 VAL MG2 1 64 PHE H 3.640 . 5.000 5.045 4.802 5.102 0.102 8 0 "[ . 1 . 2]" 1
130 1 20 VAL H 1 62 ILE H 3.550 . 3.800 3.374 3.193 3.576 . 0 0 "[ . 1 . 2]" 1
131 1 20 VAL H 1 21 ASN H 2.820 . 3.800 2.510 2.397 2.701 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL HB 1 21 ASN H 2.760 . 3.800 3.694 3.589 3.806 0.006 5 0 "[ . 1 . 2]" 1
133 1 20 VAL H 1 20 VAL HB 3.060 . 3.800 2.697 2.504 3.066 . 0 0 "[ . 1 . 2]" 1
134 1 20 VAL HA 1 21 ASN H 3.310 . 3.800 3.238 3.149 3.286 . 0 0 "[ . 1 . 2]" 1
135 1 21 ASN H 1 63 SER HB3 3.260 . 5.000 5.085 5.056 5.127 0.127 9 0 "[ . 1 . 2]" 1
136 1 21 ASN H 1 64 PHE H 3.070 . 5.000 4.296 4.049 4.674 . 0 0 "[ . 1 . 2]" 1
137 1 21 ASN H 1 62 ILE MG 3.390 . 4.800 3.849 3.786 3.979 . 0 0 "[ . 1 . 2]" 1
138 1 21 ASN H 1 63 SER HA 3.020 . 3.800 3.087 3.006 3.267 . 0 0 "[ . 1 . 2]" 1
139 1 21 ASN HB3 1 22 TYR H 2.700 . 2.800 2.794 2.560 3.041 0.241 6 0 "[ . 1 . 2]" 1
140 1 21 ASN HA 1 22 TYR H 2.500 . 2.800 2.380 2.291 2.487 . 0 0 "[ . 1 . 2]" 1
141 1 21 ASN H 1 21 ASN HB2 3.270 . 3.800 2.656 2.188 3.486 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASN HB2 1 22 TYR H 2.630 . 3.800 3.533 2.237 4.055 0.255 20 0 "[ . 1 . 2]" 1
143 1 21 ASN H 1 21 ASN HA 2.760 . 2.800 2.957 2.936 2.970 0.170 10 0 "[ . 1 . 2]" 1
144 1 21 ASN H 1 21 ASN HB3 3.330 . 3.800 3.524 3.071 3.697 . 0 0 "[ . 1 . 2]" 1
145 1 22 TYR H 1 31 VAL MG1 3.250 . 4.800 3.797 3.763 3.828 . 0 0 "[ . 1 . 2]" 1
146 1 22 TYR HB2 1 31 VAL H 2.940 . 5.000 5.115 5.052 5.150 0.150 6 0 "[ . 1 . 2]" 1
147 1 22 TYR H 1 22 TYR HB2 2.770 . 3.800 3.923 3.771 4.090 0.290 16 0 "[ . 1 . 2]" 1
148 1 22 TYR H 1 22 TYR HB3 2.630 . 3.800 3.250 3.120 3.486 . 0 0 "[ . 1 . 2]" 1
149 1 22 TYR H 1 31 VAL MG2 3.250 . 5.000 2.499 2.407 2.886 . 0 0 "[ . 1 . 2]" 1
150 1 23 THR HB 1 25 ASP H 3.280 . 3.800 2.586 2.193 3.863 0.063 1 0 "[ . 1 . 2]" 1
151 1 23 THR HG1 1 26 LEU H 2.710 . 2.800 2.500 1.984 2.859 0.059 1 0 "[ . 1 . 2]" 1
152 1 23 THR HA 1 25 ASP H 3.350 . 3.800 3.898 3.871 3.957 0.157 12 0 "[ . 1 . 2]" 1
153 1 23 THR HG1 1 25 ASP H 2.890 . 3.800 2.663 1.852 3.391 0.048 1 0 "[ . 1 . 2]" 1
154 1 24 PRO HB3 1 26 LEU H 3.670 . 5.000 5.239 5.216 5.319 0.319 12 0 "[ . 1 . 2]" 1
155 1 24 PRO HA 1 25 ASP H 3.000 . 3.800 3.459 3.428 3.509 . 0 0 "[ . 1 . 2]" 1
156 1 24 PRO HA 1 26 LEU H 3.370 . 3.800 3.374 3.269 3.595 . 0 0 "[ . 1 . 2]" 1
157 1 25 ASP HB2 1 26 LEU H 3.140 . 3.800 3.707 3.187 3.882 0.082 6 0 "[ . 1 . 2]" 1
158 1 25 ASP HB3 1 104 TRP H 3.370 . 3.800 2.305 1.888 3.284 0.012 14 0 "[ . 1 . 2]" 1
159 1 25 ASP H 1 26 LEU H 2.840 . 3.800 2.486 2.406 2.536 . 0 0 "[ . 1 . 2]" 1
160 1 25 ASP HB3 1 26 LEU H 3.180 . 3.800 3.665 3.357 3.846 0.046 13 0 "[ . 1 . 2]" 1
161 1 25 ASP H 1 25 ASP HB2 2.890 . 3.800 2.133 2.079 2.211 . 0 0 "[ . 1 . 2]" 1
162 1 25 ASP H 1 25 ASP HA 2.690 . 2.800 2.895 2.872 2.924 0.124 13 0 "[ . 1 . 2]" 1
163 1 25 ASP H 1 25 ASP HB3 2.910 . 3.800 3.223 2.940 3.523 . 0 0 "[ . 1 . 2]" 1
164 1 25 ASP HA 1 26 LEU H 2.970 . 3.800 3.348 3.268 3.429 . 0 0 "[ . 1 . 2]" 1
165 1 26 LEU MD1 1 113 LEU H 3.360 . 4.800 3.794 3.684 3.896 . 0 0 "[ . 1 . 2]" 1
166 1 26 LEU MD1 1 34 ALA H 3.220 . 4.800 4.066 3.827 4.306 . 0 0 "[ . 1 . 2]" 1
167 1 26 LEU MD1 1 114 PHE H 3.360 . 5.500 4.590 4.403 4.676 . 0 0 "[ . 1 . 2]" 1
168 1 26 LEU HG 1 31 VAL H 2.600 . 5.000 5.094 4.785 5.156 0.156 13 0 "[ . 1 . 2]" 1
169 1 26 LEU MD2 1 106 LYS H 3.490 . 4.800 2.652 2.438 3.463 . 0 0 "[ . 1 . 2]" 1
170 1 26 LEU HB3 1 30 ALA H 3.020 . 3.800 3.932 3.902 3.980 0.180 3 0 "[ . 1 . 2]" 1
171 1 26 LEU H 1 26 LEU MD1 2.760 . 5.000 4.277 4.204 4.348 . 0 0 "[ . 1 . 2]" 1
172 1 26 LEU H 1 26 LEU HA 2.780 . 2.800 2.952 2.937 2.978 0.178 12 0 "[ . 1 . 2]" 1
173 1 26 LEU H 1 26 LEU MD2 2.960 . 5.000 3.789 2.470 3.982 . 0 0 "[ . 1 . 2]" 1
174 1 26 LEU HB3 1 33 SER H 3.140 . 5.000 5.107 5.010 5.167 0.167 6 0 "[ . 1 . 2]" 1
175 1 27 PRO HB2 1 28 LYS H 3.310 . 3.800 2.561 2.349 2.750 . 0 0 "[ . 1 . 2]" 1
176 1 27 PRO HA 1 31 VAL H 3.090 . 5.000 4.850 4.786 4.944 . 0 0 "[ . 1 . 2]" 1
177 1 27 PRO HB2 1 30 ALA H 3.310 . 3.800 3.540 3.437 3.665 . 0 0 "[ . 1 . 2]" 1
178 1 27 PRO HB2 1 29 ASP H 3.100 . 3.800 3.277 3.258 3.296 . 0 0 "[ . 1 . 2]" 1
179 1 27 PRO HB3 1 28 LYS H 3.050 . 3.800 3.458 3.345 3.553 . 0 0 "[ . 1 . 2]" 1
180 1 27 PRO HB3 1 29 ASP H 2.910 . 5.000 5.030 5.008 5.044 0.044 18 0 "[ . 1 . 2]" 1
181 1 27 PRO HB3 1 30 ALA H 2.740 . 5.000 4.788 4.728 4.854 . 0 0 "[ . 1 . 2]" 1
182 1 28 LYS HB3 1 29 ASP H 2.690 . 2.800 2.083 1.976 2.893 0.093 12 0 "[ . 1 . 2]" 1
183 1 28 LYS HB2 1 29 ASP H 2.710 . 2.800 2.878 2.071 2.940 0.140 20 0 "[ . 1 . 2]" 1
184 1 28 LYS HA 1 29 ASP H 3.490 . 3.800 3.546 3.538 3.551 . 0 0 "[ . 1 . 2]" 1
185 1 28 LYS H 1 29 ASP H 3.290 . 3.800 3.236 3.193 3.273 . 0 0 "[ . 1 . 2]" 1
186 1 28 LYS HE2 1 29 ASP H 2.280 . 2.800 2.862 2.844 2.908 0.108 12 0 "[ . 1 . 2]" 1
187 1 28 LYS H 1 28 LYS HB3 2.780 . 3.800 3.298 3.229 3.648 . 0 0 "[ . 1 . 2]" 1
188 1 28 LYS H 1 28 LYS HB2 2.790 . 2.800 2.116 2.077 2.554 . 0 0 "[ . 1 . 2]" 1
189 1 28 LYS HB3 1 30 ALA H 3.020 . 5.000 4.603 4.411 4.820 . 0 0 "[ . 1 . 2]" 1
190 1 28 LYS HE2 1 30 ALA H 2.930 . 5.000 4.789 4.554 4.932 . 0 0 "[ . 1 . 2]" 1
191 1 29 ASP H 1 30 ALA H 2.860 . 3.800 2.897 2.837 2.968 . 0 0 "[ . 1 . 2]" 1
192 1 29 ASP HB3 1 30 ALA H 2.930 . 3.800 3.424 2.914 3.878 0.078 11 0 "[ . 1 . 2]" 1
193 1 29 ASP HA 1 31 VAL H 3.120 . 5.000 5.118 5.066 5.155 0.155 10 0 "[ . 1 . 2]" 1
194 1 29 ASP H 1 29 ASP HA 2.530 . 2.800 2.812 2.797 2.832 0.032 4 0 "[ . 1 . 2]" 1
195 1 29 ASP H 1 29 ASP HB3 2.280 . 3.800 3.180 2.251 3.573 . 0 0 "[ . 1 . 2]" 1
196 1 30 ALA MB 1 31 VAL H 2.600 . 3.800 2.222 2.166 2.253 . 0 0 "[ . 1 . 2]" 1
197 1 30 ALA H 1 31 VAL H 2.720 . 2.800 2.777 2.570 2.854 0.054 11 0 "[ . 1 . 2]" 1
198 1 30 ALA HA 1 31 VAL H 3.120 . 3.800 3.608 3.597 3.618 . 0 0 "[ . 1 . 2]" 1
199 1 30 ALA HA 1 32 ASP H 2.880 . 5.000 4.320 4.209 4.473 . 0 0 "[ . 1 . 2]" 1
200 1 30 ALA MB 1 32 ASP H 3.410 . 5.000 4.163 4.137 4.203 . 0 0 "[ . 1 . 2]" 1
201 1 30 ALA H 1 30 ALA HA 2.520 . 2.800 2.893 2.875 2.929 0.129 12 0 "[ . 1 . 2]" 1
202 1 30 ALA H 1 30 ALA MB 2.300 . 3.800 2.208 2.184 2.224 . 0 0 "[ . 1 . 2]" 1
203 1 31 VAL MG2 1 32 ASP H 2.610 . 3.800 3.705 3.543 3.801 0.001 18 0 "[ . 1 . 2]" 1
204 1 31 VAL MG1 1 32 ASP H 2.610 . 3.800 1.855 1.758 1.949 0.142 9 0 "[ . 1 . 2]" 1
205 1 31 VAL HA 1 34 ALA H 3.430 . 3.800 3.351 3.236 3.521 . 0 0 "[ . 1 . 2]" 1
206 1 31 VAL H 1 32 ASP H 2.870 . 3.800 2.672 2.587 2.745 . 0 0 "[ . 1 . 2]" 1
207 1 31 VAL MG2 1 34 ALA H 3.220 . 5.000 4.443 4.282 4.720 . 0 0 "[ . 1 . 2]" 1
208 1 31 VAL H 1 31 VAL HB 2.940 . 3.800 2.406 2.351 2.549 . 0 0 "[ . 1 . 2]" 1
209 1 31 VAL H 1 31 VAL HA 2.900 . 3.800 2.841 2.818 2.868 . 0 0 "[ . 1 . 2]" 1
210 1 31 VAL H 1 31 VAL MG2 2.420 . 5.000 3.752 3.734 3.779 . 0 0 "[ . 1 . 2]" 1
211 1 32 ASP H 1 33 SER H 2.930 . 3.800 2.490 2.457 2.524 . 0 0 "[ . 1 . 2]" 1
212 1 32 ASP H 1 35 VAL H 2.930 . 5.000 4.803 4.774 4.852 . 0 0 "[ . 1 . 2]" 1
213 1 32 ASP HA 1 35 VAL H 2.900 . 3.800 3.249 3.154 3.462 . 0 0 "[ . 1 . 2]" 1
214 1 32 ASP HB2 1 33 SER H 2.740 . 2.800 2.867 2.833 2.896 0.096 5 0 "[ . 1 . 2]" 1
215 1 32 ASP HB3 1 33 SER H 2.850 . 3.800 3.769 3.668 3.820 0.020 6 0 "[ . 1 . 2]" 1
216 1 32 ASP H 1 32 ASP HB2 2.650 . 2.800 2.352 2.313 2.394 . 0 0 "[ . 1 . 2]" 1
217 1 32 ASP H 1 32 ASP HB3 2.760 . 3.800 3.581 3.571 3.590 . 0 0 "[ . 1 . 2]" 1
218 1 33 SER H 1 36 GLU H 2.640 . 5.000 4.497 4.442 4.569 . 0 0 "[ . 1 . 2]" 1
219 1 33 SER HA 1 36 GLU H 2.850 . 3.800 3.343 3.178 3.520 . 0 0 "[ . 1 . 2]" 1
220 1 33 SER H 1 34 ALA H 2.800 . 3.800 2.743 2.625 2.998 . 0 0 "[ . 1 . 2]" 1
221 1 33 SER H 1 33 SER HA 2.440 . 2.800 2.856 2.831 2.872 0.072 5 0 "[ . 1 . 2]" 1
222 1 33 SER HB2 1 37 LYS H 2.660 . 5.000 5.046 5.008 5.112 0.112 16 0 "[ . 1 . 2]" 1
223 1 33 SER H 1 33 SER HB3 2.450 . 2.800 2.247 2.127 2.345 . 0 0 "[ . 1 . 2]" 1
224 1 34 ALA H 1 36 GLU H 3.490 . 3.800 3.749 3.607 3.921 0.121 1 0 "[ . 1 . 2]" 1
225 1 34 ALA HA 1 37 LYS H 2.960 . 3.800 3.106 3.053 3.145 . 0 0 "[ . 1 . 2]" 1
226 1 34 ALA HA 1 36 GLU H 2.850 . 3.800 3.905 3.866 3.941 0.141 3 0 "[ . 1 . 2]" 1
227 1 34 ALA H 1 37 LYS H 3.560 . 3.800 4.387 4.319 4.436 0.636 11 20 [****-*****+*********] 1
228 1 34 ALA MB 1 113 LEU H 2.860 . 5.800 4.819 4.761 4.870 . 0 0 "[ . 1 . 2]" 1
229 1 34 ALA HA 1 114 PHE H 3.260 . 3.800 3.365 3.199 3.462 . 0 0 "[ . 1 . 2]" 1
230 1 34 ALA H 1 113 LEU HB2 2.250 . 5.000 5.250 5.194 5.305 0.305 3 0 "[ . 1 . 2]" 1
231 1 34 ALA H 1 35 VAL H 2.830 . 3.800 2.551 2.385 2.797 . 0 0 "[ . 1 . 2]" 1
232 1 34 ALA MB 1 35 VAL H 2.550 . 3.800 2.698 2.597 2.750 . 0 0 "[ . 1 . 2]" 1
233 1 34 ALA HA 1 35 VAL H 2.900 . 3.800 3.479 3.464 3.496 . 0 0 "[ . 1 . 2]" 1
234 1 34 ALA MB 1 114 PHE H 2.640 . 3.800 2.765 2.510 2.904 . 0 0 "[ . 1 . 2]" 1
235 1 34 ALA H 1 38 ALA H 2.800 . 5.000 5.445 5.393 5.474 0.474 10 0 "[ . 1 . 2]" 1
236 1 34 ALA H 1 34 ALA MB 2.250 . 3.800 2.039 1.996 2.114 . 0 0 "[ . 1 . 2]" 1
237 1 34 ALA H 1 113 LEU MD1 2.960 . 4.800 2.240 1.842 3.236 0.058 2 0 "[ . 1 . 2]" 1
238 1 34 ALA MB 1 37 LYS H 2.680 . 5.000 4.369 4.345 4.390 . 0 0 "[ . 1 . 2]" 1
239 1 34 ALA MB 1 36 GLU H 3.130 . 5.000 4.198 4.175 4.223 . 0 0 "[ . 1 . 2]" 1
240 1 34 ALA H 1 34 ALA HA 2.450 . 3.800 2.859 2.769 2.903 . 0 0 "[ . 1 . 2]" 1
241 1 35 VAL MG1 1 62 ILE H 2.810 . 4.800 3.919 3.799 4.109 . 0 0 "[ . 1 . 2]" 1
242 1 35 VAL H 1 121 ILE MD 2.800 . 4.800 4.391 4.350 4.438 . 0 0 "[ . 1 . 2]" 1
243 1 35 VAL MG1 1 36 GLU H 2.820 . 4.800 3.938 3.663 4.075 . 0 0 "[ . 1 . 2]" 1
244 1 35 VAL HB 1 36 GLU H 2.390 . 2.800 2.899 2.868 2.945 0.145 17 0 "[ . 1 . 2]" 1
245 1 35 VAL H 1 36 GLU H 2.640 . 2.800 2.305 2.269 2.359 . 0 0 "[ . 1 . 2]" 1
246 1 35 VAL MG2 1 36 GLU H 2.850 . 4.800 3.659 3.445 3.955 . 0 0 "[ . 1 . 2]" 1
247 1 35 VAL H 1 113 LEU HG 3.400 . 5.000 4.850 4.587 4.946 . 0 0 "[ . 1 . 2]" 1
248 1 35 VAL H 1 117 ALA MB 3.400 . 4.800 3.571 3.482 3.656 . 0 0 "[ . 1 . 2]" 1
249 1 35 VAL H 1 39 LEU H 2.830 . 5.000 5.345 5.292 5.412 0.412 10 0 "[ . 1 . 2]" 1
250 1 35 VAL H 1 37 LYS H 3.520 . 3.800 3.829 3.797 3.855 0.055 12 0 "[ . 1 . 2]" 1
251 1 35 VAL HA 1 38 ALA H 3.170 . 3.800 3.660 3.543 3.763 . 0 0 "[ . 1 . 2]" 1
252 1 35 VAL H 1 35 VAL MG1 2.370 . 5.000 3.733 3.675 3.760 . 0 0 "[ . 1 . 2]" 1
253 1 35 VAL H 1 35 VAL HB 2.520 . 2.800 2.630 2.359 2.815 0.015 17 0 "[ . 1 . 2]" 1
254 1 35 VAL HA 1 36 GLU H 3.230 . 3.800 3.427 3.412 3.440 . 0 0 "[ . 1 . 2]" 1
255 1 35 VAL H 1 35 VAL HA 2.830 . 3.800 2.893 2.877 2.903 . 0 0 "[ . 1 . 2]" 1
256 1 35 VAL H 1 35 VAL MG2 2.800 . 4.800 2.051 1.816 2.488 0.084 5 0 "[ . 1 . 2]" 1
257 1 35 VAL H 1 114 PHE HB2 2.830 . 5.000 5.191 5.140 5.234 0.234 2 0 "[ . 1 . 2]" 1
258 1 36 GLU HG3 1 37 LYS H 3.370 . 3.800 3.827 3.820 3.835 0.035 16 0 "[ . 1 . 2]" 1
259 1 36 GLU HB2 1 37 LYS H 2.680 . 5.000 4.155 4.138 4.183 . 0 0 "[ . 1 . 2]" 1
260 1 36 GLU H 1 37 LYS H 2.730 . 2.800 2.268 2.217 2.342 . 0 0 "[ . 1 . 2]" 1
261 1 36 GLU H 1 39 LEU H 3.490 . 3.800 4.392 4.302 4.461 0.661 10 20 [*******-*+**********] 1
262 1 36 GLU H 1 38 ALA H 2.640 . 3.800 3.626 3.545 3.693 . 0 0 "[ . 1 . 2]" 1
263 1 36 GLU HA 1 40 LYS H 3.060 . 3.800 3.444 3.137 3.812 0.012 10 0 "[ . 1 . 2]" 1
264 1 36 GLU HA 1 39 LEU H 2.740 . 3.800 3.823 3.670 3.869 0.069 13 0 "[ . 1 . 2]" 1
265 1 36 GLU HG2 1 37 LYS H 2.770 . 2.800 3.200 3.081 3.349 0.549 20 1 "[ . 1 . +]" 1
266 1 36 GLU HB3 1 37 LYS H 2.770 . 2.800 2.907 2.883 2.950 0.150 20 0 "[ . 1 . 2]" 1
267 1 36 GLU H 1 121 ILE MD 2.850 . 5.000 4.477 4.388 4.553 . 0 0 "[ . 1 . 2]" 1
268 1 36 GLU H 1 36 GLU HB3 2.330 . 2.800 2.121 2.105 2.145 . 0 0 "[ . 1 . 2]" 1
269 1 36 GLU H 1 114 PHE HB2 3.230 . 5.000 5.091 5.034 5.133 0.133 8 0 "[ . 1 . 2]" 1
270 1 36 GLU HA 1 37 LYS H 3.250 . 3.800 3.532 3.509 3.550 . 0 0 "[ . 1 . 2]" 1
271 1 36 GLU H 1 36 GLU HA 2.630 . 3.800 2.944 2.925 2.959 . 0 0 "[ . 1 . 2]" 1
272 1 36 GLU H 1 36 GLU HG3 2.680 . 5.000 4.319 4.293 4.349 . 0 0 "[ . 1 . 2]" 1
273 1 36 GLU H 1 36 GLU HG2 2.330 . 3.800 3.911 3.900 3.927 0.127 16 0 "[ . 1 . 2]" 1
274 1 37 LYS HB2 1 38 ALA H 2.840 . 3.800 3.361 3.061 3.671 . 0 0 "[ . 1 . 2]" 1
275 1 37 LYS HB3 1 38 ALA H 2.780 . 2.800 2.782 2.599 2.926 0.126 6 0 "[ . 1 . 2]" 1
276 1 37 LYS HB3 1 114 PHE H 3.210 . 5.000 4.770 4.667 4.884 . 0 0 "[ . 1 . 2]" 1
277 1 37 LYS H 1 117 ALA MB 3.070 . 4.800 4.156 4.116 4.211 . 0 0 "[ . 1 . 2]" 1
278 1 37 LYS H 1 38 ALA H 2.590 . 2.800 2.310 2.216 2.368 . 0 0 "[ . 1 . 2]" 1
279 1 37 LYS HA 1 40 LYS H 2.870 . 3.800 3.638 3.514 3.826 0.026 20 0 "[ . 1 . 2]" 1
280 1 37 LYS H 1 39 LEU H 3.560 . 3.800 4.130 4.053 4.194 0.394 14 0 "[ . 1 . 2]" 1
281 1 37 LYS HA 1 41 VAL H 3.160 . 3.800 3.670 3.586 3.770 . 0 0 "[ . 1 . 2]" 1
282 1 37 LYS H 1 37 LYS HB3 2.460 . 3.800 2.996 2.758 3.239 . 0 0 "[ . 1 . 2]" 1
283 1 37 LYS H 1 37 LYS HE2 3.370 . 5.000 4.301 2.686 5.011 0.011 20 0 "[ . 1 . 2]" 1
284 1 37 LYS H 1 37 LYS HB2 2.610 . 2.800 2.234 2.108 2.429 . 0 0 "[ . 1 . 2]" 1
285 1 37 LYS H 1 37 LYS HG2 3.070 . 5.000 4.610 4.053 4.718 . 0 0 "[ . 1 . 2]" 1
286 1 37 LYS H 1 37 LYS HA 2.660 . 2.800 2.921 2.911 2.934 0.134 13 0 "[ . 1 . 2]" 1
287 1 38 ALA H 1 40 LYS H 2.930 . 3.800 3.932 3.869 4.001 0.201 5 0 "[ . 1 . 2]" 1
288 1 38 ALA HA 1 119 HIS H 2.490 . 4.990 4.812 4.766 4.880 . 0 0 "[ . 1 . 2]" 1
289 1 38 ALA MB 1 118 ALA H 2.550 . 3.800 2.443 2.322 2.542 . 0 0 "[ . 1 . 2]" 1
290 1 38 ALA H 1 121 ILE HB 3.130 . 5.000 5.140 5.107 5.175 0.175 13 0 "[ . 1 . 2]" 1
291 1 38 ALA HA 1 121 ILE H 2.790 . 5.000 5.163 5.132 5.214 0.214 19 0 "[ . 1 . 2]" 1
292 1 38 ALA MB 1 39 LEU H 2.510 . 3.800 1.853 1.807 1.896 0.093 20 0 "[ . 1 . 2]" 1
293 1 38 ALA H 1 39 LEU H 2.830 . 3.800 2.735 2.668 2.786 . 0 0 "[ . 1 . 2]" 1
294 1 38 ALA H 1 118 ALA HA 2.620 . 5.000 4.640 4.611 4.688 . 0 0 "[ . 1 . 2]" 1
295 1 38 ALA H 1 114 PHE HA 2.620 . 3.800 3.912 3.862 3.958 0.158 13 0 "[ . 1 . 2]" 1
296 1 38 ALA MB 1 117 ALA H 3.070 . 4.800 3.895 3.866 3.939 . 0 0 "[ . 1 . 2]" 1
297 1 38 ALA H 1 114 PHE HB2 3.170 . 3.800 3.345 2.947 3.593 . 0 0 "[ . 1 . 2]" 1
298 1 38 ALA HA 1 118 ALA H 2.460 . 2.800 2.971 2.895 3.019 0.219 8 0 "[ . 1 . 2]" 1
299 1 38 ALA MB 1 40 LYS H 2.910 . 5.000 4.183 4.154 4.235 . 0 0 "[ . 1 . 2]" 1
300 1 38 ALA HA 1 122 GLY H 2.630 . 5.000 5.125 5.101 5.165 0.165 13 0 "[ . 1 . 2]" 1
301 1 38 ALA H 1 41 VAL HB 3.130 . 5.000 4.548 4.400 4.721 . 0 0 "[ . 1 . 2]" 1
302 1 38 ALA MB 1 41 VAL H 3.460 . 5.000 4.383 4.351 4.407 . 0 0 "[ . 1 . 2]" 1
303 1 38 ALA H 1 38 ALA HA 2.620 . 2.800 2.893 2.882 2.907 0.107 20 0 "[ . 1 . 2]" 1
304 1 38 ALA H 1 38 ALA MB 2.280 . 3.800 2.177 2.164 2.190 . 0 0 "[ . 1 . 2]" 1
305 1 38 ALA HA 1 39 LEU H 3.080 . 3.800 3.551 3.536 3.566 . 0 0 "[ . 1 . 2]" 1
306 1 39 LEU H 1 40 LYS H 2.740 . 2.800 2.861 2.815 2.920 0.120 8 0 "[ . 1 . 2]" 1
307 1 39 LEU MD1 1 40 LYS H 3.220 . 4.800 3.204 2.321 4.160 . 0 0 "[ . 1 . 2]" 1
308 1 39 LEU HB2 1 40 LYS H 2.910 . 3.800 3.834 3.466 3.931 0.131 10 0 "[ . 1 . 2]" 1
309 1 39 LEU H 1 121 ILE HB 2.920 . 3.800 3.780 3.617 3.848 0.048 6 0 "[ . 1 . 2]" 1
310 1 39 LEU H 1 121 ILE MG 2.730 . 3.800 2.968 2.818 3.151 . 0 0 "[ . 1 . 2]" 1
311 1 39 LEU H 1 118 ALA HA 3.080 . 5.000 4.542 4.418 4.645 . 0 0 "[ . 1 . 2]" 1
312 1 39 LEU H 1 117 ALA MB 2.550 . 5.000 4.149 4.060 4.189 . 0 0 "[ . 1 . 2]" 1
313 1 39 LEU HG 1 40 LYS H 3.080 . 3.800 2.688 1.847 4.078 0.278 20 0 "[ . 1 . 2]" 1
314 1 39 LEU HB3 1 40 LYS H 2.970 . 3.800 2.982 2.097 3.758 . 0 0 "[ . 1 . 2]" 1
315 1 39 LEU H 1 39 LEU HA 2.740 . 2.800 2.819 2.773 2.839 0.039 11 0 "[ . 1 . 2]" 1
316 1 39 LEU H 1 39 LEU HG 2.550 . 5.000 3.657 2.623 4.644 . 0 0 "[ . 1 . 2]" 1
317 1 39 LEU HA 1 40 LYS H 3.060 . 3.800 3.537 3.523 3.546 . 0 0 "[ . 1 . 2]" 1
318 1 39 LEU H 1 39 LEU HB3 2.730 . 2.800 2.402 2.294 2.738 . 0 0 "[ . 1 . 2]" 1
319 1 39 LEU H 1 39 LEU MD1 2.660 . 5.000 4.026 3.910 4.235 . 0 0 "[ . 1 . 2]" 1
320 1 39 LEU H 1 39 LEU HB2 2.510 . 2.800 3.061 2.309 3.606 0.806 12 9 "[ * .* *-*+ *** 2]" 1
321 1 40 LYS HA 1 42 TRP H 3.330 . 3.800 4.103 3.976 4.189 0.389 1 0 "[ . 1 . 2]" 1
322 1 40 LYS H 1 41 VAL H 2.860 . 3.800 2.525 2.406 2.762 . 0 0 "[ . 1 . 2]" 1
323 1 40 LYS HG3 1 41 VAL H 3.200 . 3.800 3.837 3.820 3.846 0.046 11 0 "[ . 1 . 2]" 1
324 1 40 LYS HB3 1 41 VAL H 2.360 . 2.800 2.777 2.692 2.806 0.006 6 0 "[ . 1 . 2]" 1
325 1 40 LYS HA 1 44 GLU H 2.430 . 3.800 3.527 3.470 3.620 . 0 0 "[ . 1 . 2]" 1
326 1 40 LYS HA 1 43 GLU H 2.680 . 2.800 2.857 2.826 2.897 0.097 1 0 "[ . 1 . 2]" 1
327 1 40 LYS H 1 40 LYS HB3 2.260 . 2.800 2.441 2.397 2.605 . 0 0 "[ . 1 . 2]" 1
328 1 40 LYS H 1 40 LYS HG3 2.690 . 5.000 4.385 4.362 4.451 . 0 0 "[ . 1 . 2]" 1
329 1 40 LYS HA 1 41 VAL H 3.130 . 3.800 3.499 3.477 3.521 . 0 0 "[ . 1 . 2]" 1
330 1 40 LYS H 1 40 LYS HA 2.740 . 2.800 2.891 2.838 2.913 0.113 10 0 "[ . 1 . 2]" 1
331 1 40 LYS H 1 40 LYS HD3 2.950 . 5.000 4.718 4.512 4.941 . 0 0 "[ . 1 . 2]" 1
332 1 40 LYS HG3 1 45 VAL H 3.210 . 5.000 5.148 5.111 5.182 0.182 4 0 "[ . 1 . 2]" 1
333 1 41 VAL HB 1 118 ALA H 2.620 . 5.000 4.984 4.866 5.035 0.035 20 0 "[ . 1 . 2]" 1
334 1 41 VAL HB 1 42 TRP H 2.820 . 3.800 2.829 2.608 3.013 . 0 0 "[ . 1 . 2]" 1
335 1 41 VAL MG1 1 42 TRP H 2.710 . 3.800 2.780 2.614 2.954 . 0 0 "[ . 1 . 2]" 1
336 1 41 VAL HA 1 43 GLU H 3.370 . 5.000 4.470 4.386 4.537 . 0 0 "[ . 1 . 2]" 1
337 1 41 VAL H 1 43 GLU H 3.370 . 3.800 3.834 3.745 3.873 0.073 4 0 "[ . 1 . 2]" 1
338 1 41 VAL H 1 42 TRP H 2.620 . 2.800 2.733 2.640 2.786 . 0 0 "[ . 1 . 2]" 1
339 1 41 VAL MG2 1 152 LEU H 3.110 . 4.800 3.237 2.858 3.752 . 0 0 "[ . 1 . 2]" 1
340 1 41 VAL HA 1 152 LEU H 2.990 . 5.000 5.160 5.097 5.216 0.216 19 0 "[ . 1 . 2]" 1
341 1 41 VAL MG1 1 152 LEU H 3.280 . 4.800 3.786 3.543 3.858 . 0 0 "[ . 1 . 2]" 1
342 1 41 VAL H 1 41 VAL MG1 2.410 . 5.000 3.603 3.529 3.700 . 0 0 "[ . 1 . 2]" 1
343 1 41 VAL H 1 41 VAL HA 2.630 . 2.800 2.826 2.813 2.839 0.039 9 0 "[ . 1 . 2]" 1
344 1 41 VAL H 1 41 VAL HB 2.360 . 2.800 2.164 2.101 2.285 . 0 0 "[ . 1 . 2]" 1
345 1 41 VAL HA 1 42 TRP H 3.100 . 3.800 3.568 3.539 3.588 . 0 0 "[ . 1 . 2]" 1
346 1 41 VAL HB 1 43 GLU H 2.950 . 5.000 4.863 4.668 5.018 0.018 13 0 "[ . 1 . 2]" 1
347 1 41 VAL H 1 41 VAL MG2 2.590 . 3.800 2.775 2.591 2.910 . 0 0 "[ . 1 . 2]" 1
348 1 42 TRP HZ2 1 127 LEU HG 2.830 . 5.000 5.067 5.021 5.124 0.124 3 0 "[ . 1 . 2]" 1
349 1 42 TRP HZ2 1 136 LEU HG 2.830 . 3.800 3.739 3.438 3.845 0.045 9 0 "[ . 1 . 2]" 1
350 1 42 TRP HZ2 1 152 LEU HG 2.830 . 3.800 4.334 4.059 5.026 1.226 4 8 "[ **+* *- * . *2]" 1
351 1 42 TRP HD1 1 43 GLU H 3.370 . 3.800 4.380 4.261 4.601 0.801 3 16 "[**+*.-**** ** .*****]" 1
352 1 42 TRP H 1 43 GLU H 2.630 . 2.800 2.306 2.286 2.329 . 0 0 "[ . 1 . 2]" 1
353 1 42 TRP H 1 121 ILE MG 3.030 . 4.800 3.841 3.709 3.968 . 0 0 "[ . 1 . 2]" 1
354 1 42 TRP HE1 1 136 LEU HG 3.190 . 5.000 5.075 4.973 5.134 0.134 4 0 "[ . 1 . 2]" 1
355 1 42 TRP HE1 1 121 ILE H 3.520 . 3.800 3.870 3.803 3.942 0.142 5 0 "[ . 1 . 2]" 1
356 1 42 TRP HE1 1 122 GLY H 3.160 . 3.800 2.365 2.165 2.538 . 0 0 "[ . 1 . 2]" 1
357 1 42 TRP HZ2 1 137 MET ME 2.970 . 5.800 2.389 1.743 2.779 0.157 15 0 "[ . 1 . 2]" 1
358 1 42 TRP H 1 44 GLU H 3.410 . 3.800 3.873 3.847 3.910 0.110 19 0 "[ . 1 . 2]" 1
359 1 42 TRP HA 1 45 VAL H 2.890 . 3.800 3.093 2.986 3.261 . 0 0 "[ . 1 . 2]" 1
360 1 42 TRP HA 1 46 THR H 2.860 . 3.800 3.868 3.811 3.908 0.108 2 0 "[ . 1 . 2]" 1
361 1 42 TRP HZ2 1 119 HIS HA 3.070 . 3.800 3.238 2.978 3.475 . 0 0 "[ . 1 . 2]" 1
362 1 42 TRP HZ2 1 152 LEU MD2 2.680 . 3.800 2.806 2.375 2.955 . 0 0 "[ . 1 . 2]" 1
363 1 42 TRP HZ2 1 118 ALA MB 2.610 . 4.800 2.431 2.317 2.573 . 0 0 "[ . 1 . 2]" 1
364 1 42 TRP HB3 1 46 THR H 3.360 . 5.000 5.027 4.974 5.085 0.085 13 0 "[ . 1 . 2]" 1
365 1 42 TRP HZ2 1 126 GLY HA3 3.530 . 5.000 4.913 4.697 5.036 0.036 16 0 "[ . 1 . 2]" 1
366 1 42 TRP HA 1 43 GLU H 3.320 . 3.800 3.461 3.431 3.475 . 0 0 "[ . 1 . 2]" 1
367 1 42 TRP H 1 42 TRP HA 2.980 . 3.800 2.952 2.946 2.958 . 0 0 "[ . 1 . 2]" 1
368 1 42 TRP HZ2 1 118 ALA H 3.440 . 5.000 5.257 5.191 5.323 0.323 5 0 "[ . 1 . 2]" 1
369 1 42 TRP H 1 42 TRP HB3 2.750 . 3.800 3.676 3.646 3.692 . 0 0 "[ . 1 . 2]" 1
370 1 43 GLU HA 1 46 THR H 3.320 . 3.800 3.860 3.800 3.925 0.125 17 0 "[ . 1 . 2]" 1
371 1 43 GLU H 1 45 VAL H 3.350 . 3.800 3.990 3.963 4.004 0.204 14 0 "[ . 1 . 2]" 1
372 1 43 GLU HA 1 48 LEU H 3.520 . 3.800 4.779 4.013 5.059 1.259 6 18 "[** **+**-********* *]" 1
373 1 43 GLU HB3 1 44 GLU H 2.430 . 2.800 2.841 2.811 2.863 0.063 14 0 "[ . 1 . 2]" 1
374 1 43 GLU HA 1 44 GLU H 3.170 . 3.800 3.452 3.442 3.471 . 0 0 "[ . 1 . 2]" 1
375 1 43 GLU H 1 44 GLU H 2.740 . 2.800 2.386 2.332 2.410 . 0 0 "[ . 1 . 2]" 1
376 1 43 GLU HG3 1 50 PHE H 2.650 . 5.000 3.366 2.530 4.993 . 0 0 "[ . 1 . 2]" 1
377 1 43 GLU H 1 43 GLU HG3 3.000 . 5.000 4.530 4.294 4.671 . 0 0 "[ . 1 . 2]" 1
378 1 43 GLU H 1 43 GLU HA 2.760 . 2.800 2.888 2.880 2.903 0.103 19 0 "[ . 1 . 2]" 1
379 1 43 GLU H 1 44 GLU HA 2.680 . 5.000 5.084 5.045 5.104 0.104 2 0 "[ . 1 . 2]" 1
380 1 43 GLU H 1 43 GLU HB3 2.390 . 2.800 2.529 2.355 2.803 0.003 17 0 "[ . 1 . 2]" 1
381 1 44 GLU HB3 1 45 VAL H 3.390 . 3.800 3.841 3.815 3.962 0.162 20 0 "[ . 1 . 2]" 1
382 1 44 GLU HA 1 46 THR H 3.010 . 3.800 3.860 3.828 3.893 0.093 17 0 "[ . 1 . 2]" 1
383 1 44 GLU HG3 1 45 VAL H 3.150 . 3.800 2.315 1.812 2.401 0.088 20 0 "[ . 1 . 2]" 1
384 1 44 GLU HB2 1 45 VAL H 3.180 . 3.800 3.634 3.595 3.660 . 0 0 "[ . 1 . 2]" 1
385 1 44 GLU H 1 45 VAL H 3.080 . 3.800 2.344 2.323 2.367 . 0 0 "[ . 1 . 2]" 1
386 1 44 GLU HB2 1 46 THR H 3.110 . 5.000 5.212 5.166 5.238 0.238 17 0 "[ . 1 . 2]" 1
387 1 44 GLU H 1 44 GLU HG3 2.680 . 3.800 3.306 1.839 3.411 0.061 20 0 "[ . 1 . 2]" 1
388 1 44 GLU H 1 44 GLU HB2 2.590 . 3.800 3.646 3.618 3.653 . 0 0 "[ . 1 . 2]" 1
389 1 44 GLU H 1 44 GLU HB3 2.480 . 2.800 2.762 2.731 2.850 0.050 20 0 "[ . 1 . 2]" 1
390 1 44 GLU H 1 44 GLU HA 2.430 . 2.800 2.925 2.916 2.930 0.130 19 0 "[ . 1 . 2]" 1
391 1 44 GLU H 1 44 GLU HG2 2.430 . 2.800 1.922 1.860 2.858 0.058 20 0 "[ . 1 . 2]" 1
392 1 44 GLU HA 1 45 VAL H 3.050 . 3.800 3.557 3.541 3.567 . 0 0 "[ . 1 . 2]" 1
393 1 45 VAL MG2 1 160 ILE H 2.880 . 5.500 4.323 4.245 4.453 . 0 0 "[ . 1 . 2]" 1
394 1 45 VAL H 1 160 ILE MG 3.210 . 4.800 4.423 4.320 4.511 . 0 0 "[ . 1 . 2]" 1
395 1 45 VAL H 1 46 THR H 2.670 . 2.800 2.723 2.600 2.771 . 0 0 "[ . 1 . 2]" 1
396 1 45 VAL MG2 1 46 THR H 3.210 . 4.800 2.198 2.102 2.268 . 0 0 "[ . 1 . 2]" 1
397 1 45 VAL MG1 1 46 THR H 2.960 . 4.800 3.937 3.852 4.003 . 0 0 "[ . 1 . 2]" 1
398 1 45 VAL HB 1 160 ILE H 3.310 . 5.000 5.155 5.082 5.228 0.228 19 0 "[ . 1 . 2]" 1
399 1 45 VAL H 1 45 VAL HA 2.890 . 3.800 2.868 2.857 2.888 . 0 0 "[ . 1 . 2]" 1
400 1 45 VAL H 1 45 VAL MG1 2.610 . 3.800 1.983 1.906 2.085 . 0 0 "[ . 1 . 2]" 1
401 1 45 VAL H 1 45 VAL MG2 2.860 . 4.800 2.117 1.848 2.184 0.052 19 0 "[ . 1 . 2]" 1
402 1 45 VAL HA 1 46 THR H 2.860 . 3.800 3.529 3.476 3.546 . 0 0 "[ . 1 . 2]" 1
403 1 46 THR HB 1 164 TYR H 3.230 . 3.800 3.303 3.081 3.506 . 0 0 "[ . 1 . 2]" 1
404 1 46 THR HB 1 165 GLY H 2.830 . 3.800 3.237 2.706 3.801 0.001 19 0 "[ . 1 . 2]" 1
405 1 46 THR H 1 160 ILE MG 2.800 . 5.000 4.261 4.162 4.351 . 0 0 "[ . 1 . 2]" 1
406 1 46 THR HB 1 48 LEU H 3.070 . 3.800 3.629 3.322 3.835 0.035 12 0 "[ . 1 . 2]" 1
407 1 46 THR H 1 46 THR HG1 2.800 . 2.800 2.930 2.396 3.098 0.298 1 0 "[ . 1 . 2]" 1
408 1 46 THR HB 1 163 LEU H 3.180 . 5.000 5.240 5.143 5.315 0.315 9 0 "[ . 1 . 2]" 1
409 1 46 THR HG1 1 48 LEU H 3.000 . 3.800 1.972 1.862 2.805 0.038 18 0 "[ . 1 . 2]" 1
410 1 46 THR H 1 46 THR HB 3.010 . 3.800 3.773 3.729 3.844 0.044 3 0 "[ . 1 . 2]" 1
411 1 47 PRO QB 1 165 GLY H 3.330 . 3.800 4.385 4.272 4.554 0.754 13 15 "[***** *** -+** * **]" 1
412 1 47 PRO HA 1 48 LEU H 3.530 . 3.800 3.197 3.036 3.414 . 0 0 "[ . 1 . 2]" 1
413 1 48 LEU HA 1 49 THR H 2.420 . 2.800 2.608 2.363 2.773 . 0 0 "[ . 1 . 2]" 1
414 1 48 LEU HB3 1 49 THR H 3.340 . 3.800 2.328 1.887 3.842 0.042 1 0 "[ . 1 . 2]" 1
415 1 48 LEU HB2 1 49 THR H 3.090 . 3.800 3.566 2.968 3.828 0.028 6 0 "[ . 1 . 2]" 1
416 1 48 LEU MD1 1 49 THR H 2.810 . 4.800 3.350 1.826 4.016 0.074 1 0 "[ . 1 . 2]" 1
417 1 48 LEU H 1 48 LEU HG 2.610 . 5.000 4.017 2.674 4.537 . 0 0 "[ . 1 . 2]" 1
418 1 48 LEU H 1 48 LEU MD1 2.680 . 5.000 3.702 2.717 4.216 . 0 0 "[ . 1 . 2]" 1
419 1 48 LEU H 1 48 LEU HB2 2.970 . 3.800 2.398 2.079 2.650 . 0 0 "[ . 1 . 2]" 1
420 1 48 LEU H 1 48 LEU HB3 2.830 . 3.800 3.448 2.439 3.802 0.002 15 0 "[ . 1 . 2]" 1
421 1 49 THR HA 1 50 PHE H 2.370 . 3.800 2.501 2.402 2.748 . 0 0 "[ . 1 . 2]" 1
422 1 49 THR HB 1 50 PHE H 2.640 . 2.800 2.580 2.423 2.829 0.029 11 0 "[ . 1 . 2]" 1
423 1 49 THR HG1 1 50 PHE H 2.700 . 2.800 2.753 2.511 2.829 0.029 4 0 "[ . 1 . 2]" 1
424 1 49 THR H 1 49 THR HB 3.530 . 3.800 3.798 3.721 3.843 0.043 10 0 "[ . 1 . 2]" 1
425 1 49 THR H 1 49 THR HG1 2.670 . 3.800 3.539 2.728 3.715 . 0 0 "[ . 1 . 2]" 1
426 1 50 PHE HA 1 51 SER H 2.330 . 3.800 2.401 2.256 2.615 . 0 0 "[ . 1 . 2]" 1
427 1 50 PHE HB3 1 51 SER H 2.830 . 3.800 2.771 2.101 3.339 . 0 0 "[ . 1 . 2]" 1
428 1 50 PHE QD 1 51 SER H 3.400 . 3.800 3.070 2.009 3.787 . 0 0 "[ . 1 . 2]" 1
429 1 50 PHE H 1 50 PHE HB3 2.650 . 3.800 3.607 3.123 3.861 0.061 1 0 "[ . 1 . 2]" 1
430 1 51 SER HA 1 52 ARG H 2.480 . 2.800 2.669 2.214 2.855 0.055 13 0 "[ . 1 . 2]" 1
431 1 51 SER HB2 1 52 ARG H 3.450 . 3.800 3.111 2.113 3.799 . 0 0 "[ . 1 . 2]" 1
432 1 51 SER HB3 1 52 ARG H 3.160 . 3.800 2.605 1.898 3.797 0.002 5 0 "[ . 1 . 2]" 1
433 1 51 SER H 1 51 SER HB3 3.270 . 5.000 3.694 2.516 3.977 . 0 0 "[ . 1 . 2]" 1
434 1 51 SER H 1 51 SER HB2 3.190 . 3.800 3.050 2.372 3.597 . 0 0 "[ . 1 . 2]" 1
435 1 52 ARG HA 1 53 LEU H 2.740 . 2.800 2.404 2.292 2.592 . 0 0 "[ . 1 . 2]" 1
436 1 52 ARG HD3 1 53 LEU H 3.570 . 3.800 3.513 2.644 3.857 0.057 2 0 "[ . 1 . 2]" 1
437 1 52 ARG H 1 52 ARG HB3 2.870 . 3.800 3.386 3.008 3.651 . 0 0 "[ . 1 . 2]" 1
438 1 53 LEU HG 1 54 TYR H 3.450 . 3.800 3.263 2.314 3.844 0.044 17 0 "[ . 1 . 2]" 1
439 1 53 LEU MD1 1 54 TYR H 2.760 . 3.800 2.395 1.764 2.907 0.136 3 0 "[ . 1 . 2]" 1
440 1 53 LEU HA 1 54 TYR H 2.380 . 3.800 3.127 2.767 3.493 . 0 0 "[ . 1 . 2]" 1
441 1 53 LEU MD1 1 55 GLU H 3.480 . 4.800 2.076 1.803 2.490 0.097 14 0 "[ . 1 . 2]" 1
442 1 53 LEU H 1 58 ALA MB 2.850 . 4.800 3.717 3.358 3.937 . 0 0 "[ . 1 . 2]" 1
443 1 53 LEU HB3 1 54 TYR H 2.760 . 5.000 3.322 3.293 3.353 . 0 0 "[ . 1 . 2]" 1
444 1 53 LEU H 1 53 LEU HA 2.860 . 3.800 2.920 2.882 2.980 . 0 0 "[ . 1 . 2]" 1
445 1 53 LEU H 1 53 LEU HB2 2.980 . 3.800 3.854 3.764 3.910 0.110 2 0 "[ . 1 . 2]" 1
446 1 53 LEU H 1 53 LEU MD2 3.130 . 5.000 3.022 1.872 4.197 0.028 13 0 "[ . 1 . 2]" 1
447 1 53 LEU H 1 53 LEU MD1 2.850 . 4.800 3.339 1.849 4.096 0.051 19 0 "[ . 1 . 2]" 1
448 1 53 LEU MD1 1 59 ASP H 2.630 . 5.000 4.840 4.748 4.917 . 0 0 "[ . 1 . 2]" 1
449 1 53 LEU H 1 53 LEU HG 2.850 . 3.800 2.424 1.914 3.069 . 0 0 "[ . 1 . 2]" 1
450 1 54 TYR HA 1 55 GLU H 3.130 . 3.800 2.971 2.843 3.085 . 0 0 "[ . 1 . 2]" 1
451 1 54 TYR H 1 54 TYR HB2 3.310 . 3.800 3.351 3.034 3.608 . 0 0 "[ . 1 . 2]" 1
452 1 54 TYR H 1 54 TYR HB3 3.390 . 3.800 3.286 2.928 3.600 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLU HA 1 56 GLY H 2.640 . 2.800 2.635 2.481 2.799 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLU HB2 1 56 GLY H 2.940 . 3.800 2.332 1.954 3.839 0.039 18 0 "[ . 1 . 2]" 1
455 1 55 GLU HG2 1 56 GLY H 2.830 . 3.800 2.989 2.434 3.771 . 0 0 "[ . 1 . 2]" 1
456 1 55 GLU HB3 1 56 GLY H 2.830 . 3.800 3.614 2.862 3.795 . 0 0 "[ . 1 . 2]" 1
457 1 55 GLU HG2 1 57 GLU H 2.860 . 3.800 3.784 2.614 3.911 0.111 7 0 "[ . 1 . 2]" 1
458 1 55 GLU H 1 55 GLU HB3 3.190 . 3.800 3.203 2.480 3.404 . 0 0 "[ . 1 . 2]" 1
459 1 55 GLU H 1 55 GLU HG2 3.190 . 3.800 3.191 2.367 4.712 0.912 3 2 "[ + . 1 . - 2]" 1
460 1 56 GLY HA3 1 57 GLU H 2.750 . 2.800 2.339 2.238 2.876 0.076 18 0 "[ . 1 . 2]" 1
461 1 56 GLY HA2 1 57 GLU H 2.780 . 3.800 3.478 3.453 3.559 . 0 0 "[ . 1 . 2]" 1
462 1 56 GLY H 1 56 GLY HA3 2.880 . 3.800 2.680 2.357 2.756 . 0 0 "[ . 1 . 2]" 1
463 1 56 GLY H 1 56 GLY HA2 2.820 . 3.800 2.427 2.364 2.775 . 0 0 "[ . 1 . 2]" 1
464 1 57 GLU QB 1 58 ALA H 3.070 . 3.800 3.521 3.178 3.617 . 0 0 "[ . 1 . 2]" 1
465 1 57 GLU QG 1 58 ALA H 2.830 . 3.800 4.147 2.249 4.500 0.700 7 12 "[** ** +- * **. ***2]" 1
466 1 57 GLU HA 1 58 ALA H 2.530 . 2.800 2.216 2.188 2.240 . 0 0 "[ . 1 . 2]" 1
467 1 57 GLU H 1 57 GLU HA 2.920 . 3.800 2.844 2.834 2.871 . 0 0 "[ . 1 . 2]" 1
468 1 57 GLU H 1 57 GLU QB 2.480 . 3.800 3.375 2.982 3.467 . 0 0 "[ . 1 . 2]" 1
469 1 57 GLU H 1 57 GLU QG 2.860 . 5.000 2.626 2.364 4.096 . 0 0 "[ . 1 . 2]" 1
470 1 58 ALA HA 1 60 ILE H 2.590 . 3.800 4.688 4.481 5.018 1.218 13 20 [************+***-***] 1
471 1 58 ALA HA 1 59 ASP H 2.550 . 2.800 2.926 2.872 2.961 0.161 14 0 "[ . 1 . 2]" 1
472 1 58 ALA MB 1 59 ASP H 2.630 . 3.800 1.875 1.815 1.931 0.085 5 0 "[ . 1 . 2]" 1
473 1 58 ALA MB 1 60 ILE H 2.700 . 3.800 2.470 2.216 2.856 . 0 0 "[ . 1 . 2]" 1
474 1 59 ASP H 1 60 ILE H 3.220 . 3.800 2.240 2.039 2.466 . 0 0 "[ . 1 . 2]" 1
475 1 59 ASP HB3 1 60 ILE H 3.310 . 3.800 3.466 2.432 3.840 0.040 16 0 "[ . 1 . 2]" 1
476 1 59 ASP HB2 1 60 ILE H 3.280 . 3.800 3.148 2.685 3.957 0.157 13 0 "[ . 1 . 2]" 1
477 1 59 ASP H 1 59 ASP HB2 3.180 . 3.800 2.531 2.389 3.539 . 0 0 "[ . 1 . 2]" 1
478 1 60 ILE HA 1 96 ALA H 3.260 . 3.800 3.882 3.817 3.946 0.146 5 0 "[ . 1 . 2]" 1
479 1 60 ILE MG 1 62 ILE H 2.750 . 5.000 3.895 3.260 4.052 . 0 0 "[ . 1 . 2]" 1
480 1 60 ILE HB 1 62 ILE H 2.860 . 3.800 4.602 4.273 4.966 1.166 2 19 "[*+************* -***]" 1
481 1 60 ILE MG 1 96 ALA H 2.950 . 4.800 2.539 2.342 2.769 . 0 0 "[ . 1 . 2]" 1
482 1 60 ILE MG 1 124 SER H 3.220 . 4.800 4.075 3.751 4.762 . 0 0 "[ . 1 . 2]" 1
483 1 60 ILE MD 1 125 LEU H 2.900 . 4.800 3.642 2.160 5.025 0.225 19 0 "[ . 1 . 2]" 1
484 1 60 ILE H 1 60 ILE HB 2.970 . 3.800 2.739 2.560 2.875 . 0 0 "[ . 1 . 2]" 1
485 1 60 ILE HA 1 86 TYR H 3.200 . 5.000 5.272 5.201 5.378 0.378 9 0 "[ . 1 . 2]" 1
486 1 60 ILE H 1 60 ILE MD 2.900 . 4.800 2.945 1.844 4.013 0.056 1 0 "[ . 1 . 2]" 1
487 1 60 ILE MG 1 61 MET H 3.000 . 5.000 3.636 3.565 3.766 . 0 0 "[ . 1 . 2]" 1
488 1 61 MET H 1 96 ALA H 3.500 . 3.800 3.784 3.580 3.855 0.055 13 0 "[ . 1 . 2]" 1
489 1 61 MET HA 1 62 ILE H 2.750 . 2.800 2.266 2.203 2.313 . 0 0 "[ . 1 . 2]" 1
490 1 61 MET H 1 95 ASP HB3 3.600 . 3.800 3.691 2.921 3.883 0.083 7 0 "[ . 1 . 2]" 1
491 1 61 MET HA 1 96 ALA H 3.270 . 5.000 4.569 4.521 4.633 . 0 0 "[ . 1 . 2]" 1
492 1 61 MET HB3 1 62 ILE H 3.450 . 5.000 4.354 4.086 4.603 . 0 0 "[ . 1 . 2]" 1
493 1 61 MET H 1 61 MET HB3 2.960 . 3.800 2.811 2.454 3.315 . 0 0 "[ . 1 . 2]" 1
494 1 62 ILE MG 1 96 ALA H 3.260 . 4.800 3.868 3.782 3.966 . 0 0 "[ . 1 . 2]" 1
495 1 62 ILE QG 1 96 ALA H 2.950 . 3.800 4.210 3.906 4.404 0.604 7 3 "[ * . + 1 - 2]" 1
496 1 62 ILE HA 1 63 SER H 2.480 . 2.800 2.260 2.242 2.291 . 0 0 "[ . 1 . 2]" 1
497 1 62 ILE HA 1 96 ALA H 3.270 . 3.800 2.572 2.462 2.630 . 0 0 "[ . 1 . 2]" 1
498 1 62 ILE H 1 62 ILE QG 2.940 . 3.800 1.792 1.694 1.838 0.206 10 0 "[ . 1 . 2]" 1
499 1 62 ILE MD 1 121 ILE H 3.670 . 4.800 3.933 3.857 4.058 . 0 0 "[ . 1 . 2]" 1
500 1 62 ILE MG 1 63 SER H 2.590 . 5.000 3.018 2.741 3.251 . 0 0 "[ . 1 . 2]" 1
501 1 62 ILE H 1 62 ILE MG 2.810 . 5.000 3.756 3.731 3.767 . 0 0 "[ . 1 . 2]" 1
502 1 62 ILE H 1 62 ILE HB 2.860 . 3.800 2.793 2.761 2.811 . 0 0 "[ . 1 . 2]" 1
503 1 63 SER H 1 97 HIS H 3.600 . 3.800 4.342 4.172 4.544 0.744 16 12 "[* *-* * 1 * *.+****]" 1
504 1 63 SER HA 1 64 PHE H 2.660 . 2.800 2.297 2.241 2.335 . 0 0 "[ . 1 . 2]" 1
505 1 63 SER H 1 96 ALA H 3.540 . 3.800 3.985 3.891 4.023 0.223 13 0 "[ . 1 . 2]" 1
506 1 63 SER H 1 98 PHE H 3.540 . 3.800 3.904 3.833 3.950 0.150 18 0 "[ . 1 . 2]" 1
507 1 63 SER HB3 1 64 PHE H 2.690 . 2.800 2.862 2.834 2.891 0.091 6 0 "[ . 1 . 2]" 1
508 1 63 SER H 1 63 SER HB3 3.050 . 3.800 3.879 3.822 3.934 0.134 13 0 "[ . 1 . 2]" 1
509 1 64 PHE H 1 97 HIS QB 3.140 . 5.000 4.968 4.921 5.010 0.010 16 0 "[ . 1 . 2]" 1
510 1 64 PHE HA 1 65 ALA H 2.560 . 2.800 2.258 2.209 2.292 . 0 0 "[ . 1 . 2]" 1
511 1 64 PHE HA 1 98 PHE H 3.070 . 3.800 2.636 2.416 2.850 . 0 0 "[ . 1 . 2]" 1
512 1 64 PHE H 1 64 PHE HB2 3.140 . 3.800 3.635 3.041 3.729 . 0 0 "[ . 1 . 2]" 1
513 1 64 PHE H 1 64 PHE HB3 3.390 . 3.800 2.608 2.285 2.775 . 0 0 "[ . 1 . 2]" 1
514 1 64 PHE HB3 1 65 ALA H 3.210 . 5.000 4.265 4.125 4.363 . 0 0 "[ . 1 . 2]" 1
515 1 65 ALA H 1 97 HIS QB 3.230 . 3.800 4.471 3.937 4.733 0.933 3 14 "[* +*-* **** *** ** 2]" 1
516 1 65 ALA HA 1 66 VAL H 2.320 . 2.800 2.675 2.399 2.891 0.091 10 0 "[ . 1 . 2]" 1
517 1 65 ALA H 1 98 PHE HB3 3.500 . 5.000 5.070 4.891 5.152 0.152 1 0 "[ . 1 . 2]" 1
518 1 65 ALA H 1 100 ASP H 3.360 . 3.800 3.605 3.061 3.918 0.118 10 0 "[ . 1 . 2]" 1
519 1 65 ALA H 1 98 PHE H 3.370 . 3.800 3.767 3.538 3.905 0.105 10 0 "[ . 1 . 2]" 1
520 1 65 ALA H 1 99 ASP HA 3.450 . 3.800 3.477 3.239 3.693 . 0 0 "[ . 1 . 2]" 1
521 1 65 ALA MB 1 66 VAL H 2.410 . 3.800 2.152 1.821 2.640 0.079 11 0 "[ . 1 . 2]" 1
522 1 65 ALA H 1 65 ALA MB 2.710 . 3.800 2.776 2.693 2.859 . 0 0 "[ . 1 . 2]" 1
523 1 65 ALA H 1 65 ALA HA 2.850 . 3.800 2.929 2.895 2.960 . 0 0 "[ . 1 . 2]" 1
524 1 66 VAL HA 1 77 GLY H 3.520 . 3.800 3.775 3.144 3.935 0.135 1 0 "[ . 1 . 2]" 1
525 1 66 VAL HA 1 67 ARG H 3.220 . 3.800 2.792 2.231 3.005 . 0 0 "[ . 1 . 2]" 1
526 1 66 VAL HA 1 101 ASP H 2.910 . 5.000 4.947 4.423 5.047 0.047 7 0 "[ . 1 . 2]" 1
527 1 66 VAL MG1 1 100 ASP H 2.740 . 3.800 4.133 3.380 4.502 0.702 6 8 "[* **.+ *1* - * 2]" 1
528 1 66 VAL MG2 1 100 ASP H 2.740 . 3.800 2.715 2.223 3.076 . 0 0 "[ . 1 . 2]" 1
529 1 66 VAL HA 1 75 PHE H 3.250 . 3.800 3.846 3.610 3.950 0.150 4 0 "[ . 1 . 2]" 1
530 1 66 VAL HA 1 76 ASP H 2.940 . 3.800 3.778 3.352 3.934 0.134 11 0 "[ . 1 . 2]" 1
531 1 66 VAL MG2 1 101 ASP H 2.690 . 5.000 2.738 1.841 3.939 0.059 14 0 "[ . 1 . 2]" 1
532 1 66 VAL H 1 66 VAL MG1 2.300 . 3.800 2.747 2.573 2.929 . 0 0 "[ . 1 . 2]" 1
533 1 66 VAL H 1 66 VAL MG2 2.300 . 5.000 4.072 4.028 4.096 . 0 0 "[ . 1 . 2]" 1
534 1 66 VAL H 1 66 VAL HB 3.450 . 3.800 3.279 3.104 3.508 . 0 0 "[ . 1 . 2]" 1
535 1 66 VAL HB 1 67 ARG H 3.350 . 5.000 3.663 3.481 4.142 . 0 0 "[ . 1 . 2]" 1
536 1 66 VAL MG1 1 67 ARG H 3.200 . 5.000 2.200 1.820 3.635 0.080 8 0 "[ . 1 . 2]" 1
537 1 66 VAL MG2 1 67 ARG H 3.200 . 5.000 1.848 1.772 2.319 0.128 6 0 "[ . 1 . 2]" 1
538 1 67 ARG H 1 75 PHE HB3 3.290 . 3.800 3.201 1.894 3.837 0.037 15 0 "[ . 1 . 2]" 1
539 1 67 ARG HA 1 75 PHE H 3.430 . 3.800 2.231 1.888 2.728 0.012 11 0 "[ . 1 . 2]" 1
540 1 67 ARG H 1 75 PHE HA 3.220 . 3.800 4.945 4.123 5.092 1.292 2 19 "[*+-*** *************]" 1
541 1 67 ARG HD3 1 77 GLY H 3.470 . 5.000 4.723 3.525 5.044 0.044 8 0 "[ . 1 . 2]" 1
542 1 67 ARG H 1 67 ARG HB3 3.350 . 3.800 3.013 2.322 3.657 . 0 0 "[ . 1 . 2]" 1
543 1 68 GLU HA 1 69 HIS H 3.350 . 3.800 2.741 2.196 3.600 . 0 0 "[ . 1 . 2]" 1
544 1 69 HIS HE1 1 75 PHE H 3.500 . 3.800 2.690 1.881 3.724 0.019 3 0 "[ . 1 . 2]" 1
545 1 69 HIS HE1 1 76 ASP H 3.420 . 5.000 5.120 5.026 5.216 0.216 2 0 "[ . 1 . 2]" 1
546 1 70 GLY HA2 1 71 ASP H 3.390 . 3.800 3.239 2.190 3.590 . 0 0 "[ . 1 . 2]" 1
547 1 70 GLY HA3 1 71 ASP H 3.360 . 3.800 2.997 2.276 3.587 . 0 0 "[ . 1 . 2]" 1
548 1 72 PHE HA 1 73 TYR H 3.500 . 3.800 3.142 2.529 3.593 . 0 0 "[ . 1 . 2]" 1
549 1 73 TYR HA 1 84 HIS HE1 2.780 . 2.800 4.054 4.022 4.098 1.298 7 20 [******+*-***********] 1
550 1 75 PHE HB3 1 84 HIS HE1 3.570 . 5.000 5.122 5.027 5.233 0.233 1 0 "[ . 1 . 2]" 1
551 1 75 PHE HB3 1 76 ASP H 3.120 . 3.800 1.913 1.764 2.107 0.136 17 0 "[ . 1 . 2]" 1
552 1 75 PHE HB2 1 76 ASP H 3.140 . 5.000 3.461 3.350 3.602 . 0 0 "[ . 1 . 2]" 1
553 1 75 PHE HA 1 76 ASP H 2.940 . 3.800 2.830 2.630 3.224 . 0 0 "[ . 1 . 2]" 1
554 1 75 PHE HB3 1 77 GLY H 3.390 . 3.800 3.067 2.501 3.287 . 0 0 "[ . 1 . 2]" 1
555 1 75 PHE HA 1 77 GLY H 3.520 . 5.000 5.079 4.745 5.192 0.192 16 0 "[ . 1 . 2]" 1
556 1 75 PHE H 1 75 PHE HB3 3.430 . 3.800 3.277 2.883 3.529 . 0 0 "[ . 1 . 2]" 1
557 1 75 PHE H 1 75 PHE HB2 3.720 . 3.800 2.233 2.069 2.427 . 0 0 "[ . 1 . 2]" 1
558 1 76 ASP H 1 77 GLY H 2.640 . 2.800 2.340 1.858 2.662 0.042 17 0 "[ . 1 . 2]" 1
559 1 76 ASP H 1 76 ASP HB3 3.280 . 3.800 3.369 2.544 3.744 . 0 0 "[ . 1 . 2]" 1
560 1 76 ASP H 1 76 ASP HB2 3.340 . 3.800 3.949 3.585 4.061 0.261 4 0 "[ . 1 . 2]" 1
561 1 77 GLY HA3 1 101 ASP H 3.140 . 3.800 3.047 2.124 3.894 0.094 17 0 "[ . 1 . 2]" 1
562 1 77 GLY H 1 101 ASP HA 3.520 . 5.000 4.958 3.983 5.225 0.225 9 0 "[ . 1 . 2]" 1
563 1 77 GLY HA3 1 100 ASP H 2.830 . 5.000 4.784 3.923 5.086 0.086 5 0 "[ . 1 . 2]" 1
564 1 78 PRO HA 1 79 GLY H 2.650 . 2.800 2.572 2.262 2.738 . 0 0 "[ . 1 . 2]" 1
565 1 79 GLY HA3 1 80 ASN H 3.540 . 3.800 2.841 2.405 3.138 . 0 0 "[ . 1 . 2]" 1
566 1 79 GLY HA2 1 80 ASN H 2.830 . 3.800 2.438 2.230 2.850 . 0 0 "[ . 1 . 2]" 1
567 1 79 GLY H 1 79 GLY HA2 2.860 . 3.800 2.884 2.748 2.984 . 0 0 "[ . 1 . 2]" 1
568 1 79 GLY H 1 79 GLY HA3 3.000 . 3.800 2.785 2.590 2.915 . 0 0 "[ . 1 . 2]" 1
569 1 80 ASN HB2 1 81 VAL H 2.800 . 2.800 2.717 2.213 2.871 0.071 3 0 "[ . 1 . 2]" 1
570 1 81 VAL H 1 81 VAL MG1 3.150 . 5.000 3.205 2.134 3.767 . 0 0 "[ . 1 . 2]" 1
571 1 81 VAL H 1 81 VAL HB 2.840 . 3.800 2.967 2.061 3.632 . 0 0 "[ . 1 . 2]" 1
572 1 81 VAL H 1 81 VAL MG2 2.770 . 3.800 2.111 1.810 3.235 0.090 7 0 "[ . 1 . 2]" 1
573 1 82 LEU H 1 116 VAL MG1 3.000 . 5.000 4.596 4.162 4.792 . 0 0 "[ . 1 . 2]" 1
574 1 82 LEU H 1 83 ALA H 2.000 . 2.300 2.941 2.500 3.265 0.965 3 12 "[ *+**** ***- ** 2]" 1
575 1 83 ALA H 1 116 VAL MG1 2.600 . 5.000 2.859 2.049 3.672 . 0 0 "[ . 1 . 2]" 1
576 1 83 ALA MB 1 99 ASP H 2.910 . 4.800 2.581 1.921 3.082 . 0 0 "[ . 1 . 2]" 1
577 1 83 ALA MB 1 84 HIS H 2.430 . 3.800 2.129 1.831 2.344 0.069 12 0 "[ . 1 . 2]" 1
578 1 83 ALA H 1 83 ALA MB 2.730 . 3.800 2.746 2.561 2.918 . 0 0 "[ . 1 . 2]" 1
579 1 84 HIS H 1 120 GLU HB3 2.970 . 3.800 3.767 3.568 3.847 0.047 10 0 "[ . 1 . 2]" 1
580 1 84 HIS HA 1 120 GLU H 3.210 . 5.000 5.117 5.044 5.198 0.198 16 0 "[ . 1 . 2]" 1
581 1 84 HIS H 1 120 GLU HA 2.600 . 5.000 5.001 4.852 5.075 0.075 3 0 "[ . 1 . 2]" 1
582 1 84 HIS H 1 98 PHE HD1 2.970 . 6.000 4.760 3.969 5.588 . 0 0 "[ . 1 . 2]" 1
583 1 84 HIS H 1 97 HIS QB 3.200 . 3.800 4.243 4.044 4.498 0.698 7 5 "[ - + 1 .** *]" 1
584 1 84 HIS HA 1 85 ALA H 2.690 . 2.800 2.584 2.425 2.782 . 0 0 "[ . 1 . 2]" 1
585 1 85 ALA MB 1 97 HIS H 3.030 . 4.800 3.796 3.423 3.945 . 0 0 "[ . 1 . 2]" 1
586 1 85 ALA MB 1 123 HIS H 2.920 . 4.800 3.753 3.466 3.960 . 0 0 "[ . 1 . 2]" 1
587 1 85 ALA MB 1 124 SER H 2.820 . 4.800 2.649 2.309 2.872 . 0 0 "[ . 1 . 2]" 1
588 1 85 ALA MB 1 96 ALA H 3.410 . 4.800 3.511 3.173 3.779 . 0 0 "[ . 1 . 2]" 1
589 1 85 ALA HA 1 97 HIS H 3.070 . 3.800 3.473 3.065 3.655 . 0 0 "[ . 1 . 2]" 1
590 1 85 ALA MB 1 120 GLU H 2.770 . 5.000 4.582 4.345 4.784 . 0 0 "[ . 1 . 2]" 1
591 1 85 ALA MB 1 86 TYR H 2.810 . 4.800 2.173 1.919 2.451 . 0 0 "[ . 1 . 2]" 1
592 1 85 ALA H 1 85 ALA MB 3.010 . 4.800 2.667 2.501 2.810 . 0 0 "[ . 1 . 2]" 1
593 1 85 ALA H 1 85 ALA HA 2.690 . 2.800 2.921 2.880 2.953 0.153 4 0 "[ . 1 . 2]" 1
594 1 86 TYR H 1 96 ALA HA 3.480 . 3.800 3.777 3.699 3.860 0.060 9 0 "[ . 1 . 2]" 1
595 1 86 TYR H 1 92 ILE HG13 3.510 . 5.000 4.907 4.503 5.175 0.175 1 0 "[ . 1 . 2]" 1
596 1 86 TYR HA 1 87 ALA H 2.400 . 2.800 2.742 2.394 2.847 0.047 7 0 "[ . 1 . 2]" 1
597 1 86 TYR H 1 96 ALA MB 3.510 . 5.000 4.360 4.168 4.569 . 0 0 "[ . 1 . 2]" 1
598 1 86 TYR HB3 1 94 GLY H 2.860 . 3.800 2.977 2.233 3.723 . 0 0 "[ . 1 . 2]" 1
599 1 86 TYR QD 1 94 GLY H 3.300 . 5.000 4.512 4.222 4.804 . 0 0 "[ . 1 . 2]" 1
600 1 86 TYR QD 1 95 ASP H 2.990 . 3.800 3.751 2.728 4.720 0.920 11 6 "[ .* *+* .*- 2]" 1
601 1 86 TYR H 1 95 ASP HB2 3.160 . 3.800 3.642 3.120 3.820 0.020 13 0 "[ . 1 . 2]" 1
602 1 86 TYR H 1 86 TYR QD 2.940 . 5.000 3.271 2.411 4.273 . 0 0 "[ . 1 . 2]" 1
603 1 86 TYR H 1 86 TYR HB3 3.160 . 3.800 3.646 3.329 3.841 0.041 7 0 "[ . 1 . 2]" 1
604 1 87 ALA H 1 94 GLY H 3.580 . 3.800 3.455 2.966 3.894 0.094 16 0 "[ . 1 . 2]" 1
605 1 87 ALA H 1 87 ALA MB 2.590 . 5.000 2.671 2.315 2.890 . 0 0 "[ . 1 . 2]" 1
606 1 89 GLY HA3 1 93 ASN H 3.350 . 5.000 4.298 3.372 5.017 0.017 9 0 "[ . 1 . 2]" 1
607 1 91 GLY HA3 1 93 ASN H 3.350 . 3.800 3.973 3.871 4.034 0.234 2 0 "[ . 1 . 2]" 1
608 1 92 ILE HA 1 94 GLY H 2.770 . 3.800 3.831 3.786 3.879 0.079 16 0 "[ . 1 . 2]" 1
609 1 92 ILE HA 1 95 ASP H 2.840 . 3.800 5.039 4.724 5.119 1.319 8 20 [******-+************] 1
610 1 92 ILE HB 1 93 ASN H 3.690 . 5.000 4.396 4.157 4.682 . 0 0 "[ . 1 . 2]" 1
611 1 92 ILE HA 1 93 ASN H 2.790 . 2.800 3.286 3.097 3.375 0.575 6 10 "[ * *+ -* * . ****]" 1
612 1 92 ILE MG 1 93 ASN H 2.630 . 3.800 3.011 2.455 3.976 0.176 14 0 "[ . 1 . 2]" 1
613 1 94 GLY HA3 1 95 ASP H 3.530 . 3.800 3.477 3.402 3.552 . 0 0 "[ . 1 . 2]" 1
614 1 94 GLY HA2 1 95 ASP H 3.390 . 3.800 2.290 2.199 2.421 . 0 0 "[ . 1 . 2]" 1
615 1 94 GLY H 1 94 GLY HA3 2.810 . 3.800 2.984 2.972 2.990 . 0 0 "[ . 1 . 2]" 1
616 1 94 GLY HA2 1 124 SER H 2.600 . 5.000 5.053 4.879 5.124 0.124 16 0 "[ . 1 . 2]" 1
617 1 95 ASP H 1 124 SER HA 2.850 . 5.000 5.078 5.037 5.131 0.131 14 0 "[ . 1 . 2]" 1
618 1 95 ASP H 1 96 ALA H 3.350 . 5.000 4.051 3.922 4.207 . 0 0 "[ . 1 . 2]" 1
619 1 95 ASP H 1 95 ASP HB3 2.820 . 3.800 3.917 3.856 3.983 0.183 3 0 "[ . 1 . 2]" 1
620 1 95 ASP H 1 95 ASP HB2 2.580 . 5.000 2.991 2.761 3.465 . 0 0 "[ . 1 . 2]" 1
621 1 96 ALA MB 1 98 PHE H 3.120 . 4.800 4.889 4.814 4.947 0.147 18 0 "[ . 1 . 2]" 1
622 1 96 ALA HA 1 97 HIS H 2.560 . 2.800 2.397 2.206 2.508 . 0 0 "[ . 1 . 2]" 1
623 1 96 ALA MB 1 120 GLU H 2.430 . 5.000 4.131 4.021 4.223 . 0 0 "[ . 1 . 2]" 1
624 1 96 ALA MB 1 121 ILE H 3.170 . 4.800 3.383 3.133 3.647 . 0 0 "[ . 1 . 2]" 1
625 1 96 ALA MB 1 97 HIS H 2.650 . 3.800 2.502 2.207 3.126 . 0 0 "[ . 1 . 2]" 1
626 1 96 ALA H 1 96 ALA MB 2.640 . 3.800 2.334 2.254 2.399 . 0 0 "[ . 1 . 2]" 1
627 1 97 HIS HA 1 98 PHE H 2.760 . 2.800 2.131 2.096 2.150 . 0 0 "[ . 1 . 2]" 1
628 1 97 HIS H 1 97 HIS QB 3.200 . 3.800 2.783 2.475 2.869 . 0 0 "[ . 1 . 2]" 1
629 1 98 PHE HA 1 99 ASP H 2.840 . 3.800 2.259 2.174 2.305 . 0 0 "[ . 1 . 2]" 1
630 1 98 PHE HD1 1 99 ASP H 2.980 . 3.800 3.687 3.358 3.861 0.061 5 0 "[ . 1 . 2]" 1
631 1 98 PHE HB3 1 99 ASP H 2.780 . 5.000 3.280 3.028 3.479 . 0 0 "[ . 1 . 2]" 1
632 1 99 ASP HA 1 100 ASP H 2.830 . 3.800 2.268 2.201 2.335 . 0 0 "[ . 1 . 2]" 1
633 1 99 ASP H 1 104 TRP HZ2 2.930 . 5.000 2.349 1.871 5.005 0.029 5 0 "[ . 1 . 2]" 1
634 1 99 ASP HA 1 101 ASP H 3.140 . 5.000 3.809 3.449 4.064 . 0 0 "[ . 1 . 2]" 1
635 1 99 ASP H 1 99 ASP HB2 3.050 . 3.800 2.776 2.104 3.643 . 0 0 "[ . 1 . 2]" 1
636 1 99 ASP H 1 99 ASP HB3 3.150 . 3.800 2.813 2.364 3.385 . 0 0 "[ . 1 . 2]" 1
637 1 99 ASP HB2 1 100 ASP H 3.520 . 5.000 3.936 2.997 4.619 . 0 0 "[ . 1 . 2]" 1
638 1 100 ASP H 1 104 TRP HE1 3.340 . 5.000 4.716 4.281 5.071 0.071 7 0 "[ . 1 . 2]" 1
639 1 100 ASP HA 1 102 GLU H 3.210 . 5.000 3.942 3.266 5.064 0.064 17 0 "[ . 1 . 2]" 1
640 1 100 ASP HA 1 101 ASP H 3.540 . 3.800 3.153 2.897 3.388 . 0 0 "[ . 1 . 2]" 1
641 1 100 ASP H 1 100 ASP HB3 3.050 . 3.800 2.951 2.408 3.773 . 0 0 "[ . 1 . 2]" 1
642 1 100 ASP H 1 101 ASP H 3.150 . 3.800 2.572 2.174 2.935 . 0 0 "[ . 1 . 2]" 1
643 1 100 ASP H 1 100 ASP HB2 3.160 . 3.800 2.881 2.133 3.823 0.023 5 0 "[ . 1 . 2]" 1
644 1 101 ASP HA 1 102 GLU H 3.290 . 3.800 3.301 3.020 3.568 . 0 0 "[ . 1 . 2]" 1
645 1 101 ASP H 1 101 ASP HB3 2.990 . 3.800 3.285 2.702 3.742 . 0 0 "[ . 1 . 2]" 1
646 1 101 ASP H 1 101 ASP HA 2.910 . 3.800 2.866 2.440 2.989 . 0 0 "[ . 1 . 2]" 1
647 1 101 ASP H 1 102 GLU H 2.930 . 5.000 2.642 1.919 4.139 . 0 0 "[ . 1 . 2]" 1
648 1 101 ASP H 1 104 TRP HE1 3.600 . 5.000 4.096 3.169 4.866 . 0 0 "[ . 1 . 2]" 1
649 1 102 GLU HA 1 103 GLN H 2.640 . 3.800 3.379 3.095 3.606 . 0 0 "[ . 1 . 2]" 1
650 1 102 GLU H 1 104 TRP HE1 3.310 . 3.800 3.521 2.399 3.908 0.108 7 0 "[ . 1 . 2]" 1
651 1 102 GLU H 1 102 GLU HA 2.850 . 3.800 2.983 2.909 2.994 . 0 0 "[ . 1 . 2]" 1
652 1 102 GLU H 1 111 THR HG1 3.260 . 5.000 4.966 3.962 5.235 0.235 1 0 "[ . 1 . 2]" 1
653 1 102 GLU H 1 103 GLN H 3.570 . 3.800 3.329 1.896 3.970 0.170 18 0 "[ . 1 . 2]" 1
654 1 103 GLN H 1 111 THR HB 3.400 . 3.800 4.278 3.909 5.013 1.213 7 5 "[ .*+ -* * . 2]" 1
655 1 103 GLN HB3 1 111 THR H 3.400 . 5.000 3.588 2.465 4.834 . 0 0 "[ . 1 . 2]" 1
656 1 103 GLN HG2 1 104 TRP H 3.620 . 3.800 3.498 2.943 3.811 0.011 3 0 "[ . 1 . 2]" 1
657 1 103 GLN HA 1 104 TRP H 2.610 . 2.800 2.533 2.331 2.737 . 0 0 "[ . 1 . 2]" 1
658 1 103 GLN HB2 1 104 TRP H 3.260 . 3.800 3.744 3.335 3.952 0.152 1 0 "[ . 1 . 2]" 1
659 1 103 GLN HB3 1 104 TRP H 3.160 . 3.800 2.354 1.883 2.596 0.017 7 0 "[ . 1 . 2]" 1
660 1 103 GLN H 1 103 GLN HG2 3.290 . 5.000 4.686 4.193 5.043 0.043 1 0 "[ . 1 . 2]" 1
661 1 103 GLN H 1 103 GLN HB3 2.640 . 3.800 3.748 3.535 3.840 0.040 1 0 "[ . 1 . 2]" 1
662 1 103 GLN H 1 103 GLN HB2 2.900 . 3.800 2.726 2.432 3.087 . 0 0 "[ . 1 . 2]" 1
663 1 103 GLN H 1 103 GLN HA 2.960 . 3.800 2.941 2.827 2.992 . 0 0 "[ . 1 . 2]" 1
664 1 104 TRP HB3 1 105 THR H 3.220 . 3.800 3.462 2.900 3.814 0.014 3 0 "[ . 1 . 2]" 1
665 1 104 TRP H 1 104 TRP HD1 3.370 . 3.800 3.629 2.655 3.886 0.086 14 0 "[ . 1 . 2]" 1
666 1 104 TRP H 1 104 TRP HB3 2.920 . 3.800 3.910 3.860 3.980 0.180 8 0 "[ . 1 . 2]" 1
667 1 105 THR HG1 1 110 GLY H 2.610 . 2.800 2.200 2.002 2.360 . 0 0 "[ . 1 . 2]" 1
668 1 105 THR HG1 1 111 THR H 2.670 . 2.800 2.891 2.817 2.943 0.143 14 0 "[ . 1 . 2]" 1
669 1 105 THR HB 1 106 LYS H 2.790 . 2.800 2.748 2.638 2.825 0.025 1 0 "[ . 1 . 2]" 1
670 1 105 THR HG1 1 106 LYS H 2.830 . 3.800 3.916 3.838 4.045 0.245 2 0 "[ . 1 . 2]" 1
671 1 105 THR HA 1 106 LYS H 2.790 . 3.800 2.270 2.252 2.291 . 0 0 "[ . 1 . 2]" 1
672 1 105 THR HB 1 110 GLY H 3.320 . 5.000 2.947 2.794 3.171 . 0 0 "[ . 1 . 2]" 1
673 1 105 THR H 1 111 THR H 3.530 . 3.800 2.314 2.089 2.570 . 0 0 "[ . 1 . 2]" 1
674 1 105 THR H 1 113 LEU H 3.420 . 3.800 2.269 2.090 2.548 . 0 0 "[ . 1 . 2]" 1
675 1 105 THR H 1 112 ASN H 3.560 . 3.800 3.027 2.705 3.396 . 0 0 "[ . 1 . 2]" 1
676 1 105 THR H 1 113 LEU HB3 3.570 . 3.800 4.119 3.766 4.562 0.762 12 4 "[- * . 1 + *. 2]" 1
677 1 105 THR HA 1 107 ASP H 2.810 . 3.800 3.906 3.832 4.001 0.201 13 0 "[ . 1 . 2]" 1
678 1 105 THR HG1 1 107 ASP H 2.920 . 3.800 3.827 3.595 3.926 0.126 18 0 "[ . 1 . 2]" 1
679 1 105 THR HG1 1 109 THR H 3.260 . 3.800 2.574 2.120 3.290 . 0 0 "[ . 1 . 2]" 1
680 1 105 THR HB 1 107 ASP H 2.600 . 2.800 2.664 2.449 2.800 . 0 0 "[ . 1 . 2]" 1
681 1 105 THR HA 1 109 THR H 3.530 . 5.000 5.044 4.961 5.102 0.102 7 0 "[ . 1 . 2]" 1
682 1 105 THR HB 1 109 THR H 3.290 . 3.800 2.953 2.680 3.273 . 0 0 "[ . 1 . 2]" 1
683 1 105 THR H 1 112 ASN HA 3.030 . 3.800 3.870 3.683 3.933 0.133 14 0 "[ . 1 . 2]" 1
684 1 105 THR H 1 110 GLY H 3.250 . 3.800 3.746 3.550 3.842 0.042 3 0 "[ . 1 . 2]" 1
685 1 105 THR H 1 111 THR HB 3.400 . 3.800 3.403 3.174 3.682 . 0 0 "[ . 1 . 2]" 1
686 1 105 THR H 1 105 THR HG1 2.940 . 3.800 2.368 2.113 2.601 . 0 0 "[ . 1 . 2]" 1
687 1 105 THR H 1 105 THR HB 3.260 . 3.800 3.888 3.805 3.964 0.164 12 0 "[ . 1 . 2]" 1
688 1 106 LYS HG3 1 107 ASP H 3.170 . 3.800 2.571 2.173 2.932 . 0 0 "[ . 1 . 2]" 1
689 1 106 LYS H 1 107 ASP H 3.360 . 3.800 2.227 2.049 2.370 . 0 0 "[ . 1 . 2]" 1
690 1 106 LYS HB2 1 107 ASP H 3.350 . 3.800 3.846 3.738 3.899 0.099 18 0 "[ . 1 . 2]" 1
691 1 106 LYS H 1 113 LEU HB2 2.940 . 3.800 3.434 3.181 3.711 . 0 0 "[ . 1 . 2]" 1
692 1 106 LYS HB3 1 107 ASP H 3.290 . 3.800 3.811 3.668 3.870 0.070 2 0 "[ . 1 . 2]" 1
693 1 106 LYS H 1 106 LYS HB2 3.150 . 3.800 3.625 3.605 3.640 . 0 0 "[ . 1 . 2]" 1
694 1 106 LYS H 1 107 ASP HA 2.790 . 5.000 5.007 4.871 5.105 0.105 13 0 "[ . 1 . 2]" 1
695 1 106 LYS H 1 106 LYS HB3 3.180 . 3.800 2.602 2.456 2.677 . 0 0 "[ . 1 . 2]" 1
696 1 106 LYS H 1 106 LYS HG3 2.940 . 3.800 3.389 3.068 3.540 . 0 0 "[ . 1 . 2]" 1
697 1 107 ASP H 1 147 LEU MD1 2.920 . 5.000 4.097 3.927 4.296 . 0 0 "[ . 1 . 2]" 1
698 1 107 ASP H 1 113 LEU HB2 3.170 . 5.000 5.074 4.973 5.132 0.132 7 0 "[ . 1 . 2]" 1
699 1 107 ASP HB3 1 110 GLY H 2.840 . 5.000 5.073 5.018 5.143 0.143 12 0 "[ . 1 . 2]" 1
700 1 107 ASP H 1 107 ASP HB2 3.410 . 3.800 2.448 2.260 2.579 . 0 0 "[ . 1 . 2]" 1
701 1 107 ASP H 1 108 THR HA 2.380 . 5.000 5.034 4.971 5.103 0.103 3 0 "[ . 1 . 2]" 1
702 1 107 ASP H 1 107 ASP HA 2.810 . 3.800 2.953 2.929 2.972 . 0 0 "[ . 1 . 2]" 1
703 1 108 THR HA 1 109 THR H 2.220 . 2.800 2.676 2.509 2.871 0.071 7 0 "[ . 1 . 2]" 1
704 1 108 THR HB 1 109 THR H 3.530 . 5.000 4.579 4.304 4.671 . 0 0 "[ . 1 . 2]" 1
705 1 108 THR HA 1 147 LEU H 2.650 . 5.000 5.269 5.101 5.419 0.419 19 0 "[ . 1 . 2]" 1
706 1 108 THR HA 1 144 LEU H 2.290 . 3.800 4.820 4.372 5.079 1.279 2 20 [*+***************-**] 1
707 1 108 THR HG1 1 109 THR H 2.720 . 5.000 4.593 4.118 5.081 0.081 7 0 "[ . 1 . 2]" 1
708 1 108 THR HA 1 110 GLY H 2.410 . 3.800 3.870 3.828 3.895 0.095 18 0 "[ . 1 . 2]" 1
709 1 109 THR HB 1 110 GLY H 2.560 . 2.800 2.831 2.810 2.863 0.063 10 0 "[ . 1 . 2]" 1
710 1 109 THR HA 1 110 GLY H 2.560 . 3.800 3.536 3.518 3.577 . 0 0 "[ . 1 . 2]" 1
711 1 109 THR H 1 110 GLY H 3.360 . 3.800 2.080 1.839 2.532 0.061 16 0 "[ . 1 . 2]" 1
712 1 109 THR H 1 109 THR HG1 2.720 . 3.800 3.163 2.340 3.805 0.005 19 0 "[ . 1 . 2]" 1
713 1 109 THR H 1 109 THR HA 2.670 . 2.800 2.955 2.907 2.971 0.171 14 0 "[ . 1 . 2]" 1
714 1 109 THR H 1 147 LEU MD1 3.260 . 5.000 4.085 3.836 4.215 . 0 0 "[ . 1 . 2]" 1
715 1 109 THR H 1 109 THR HB 2.670 . 2.800 2.520 2.317 2.627 . 0 0 "[ . 1 . 2]" 1
716 1 110 GLY HA2 1 111 THR H 2.580 . 3.800 3.517 3.459 3.552 . 0 0 "[ . 1 . 2]" 1
717 1 110 GLY H 1 113 LEU H 3.600 . 5.000 5.203 5.101 5.279 0.279 3 0 "[ . 1 . 2]" 1
718 1 110 GLY H 1 111 THR H 3.420 . 3.800 2.898 2.639 3.150 . 0 0 "[ . 1 . 2]" 1
719 1 110 GLY H 1 110 GLY HA2 2.840 . 3.800 2.994 2.975 3.010 . 0 0 "[ . 1 . 2]" 1
720 1 110 GLY H 1 110 GLY HA3 2.560 . 2.800 2.471 2.415 2.612 . 0 0 "[ . 1 . 2]" 1
721 1 111 THR HG1 1 112 ASN H 2.930 . 3.800 3.932 3.820 4.020 0.220 14 0 "[ . 1 . 2]" 1
722 1 111 THR HA 1 112 ASN H 2.700 . 3.800 3.498 3.418 3.558 . 0 0 "[ . 1 . 2]" 1
723 1 111 THR H 1 111 THR HB 2.780 . 2.800 2.606 2.496 2.730 . 0 0 "[ . 1 . 2]" 1
724 1 111 THR H 1 111 THR HG1 3.120 . 3.800 3.734 3.155 3.930 0.130 16 0 "[ . 1 . 2]" 1
725 1 112 ASN HB3 1 113 LEU H 3.400 . 5.000 4.400 4.259 4.608 . 0 0 "[ . 1 . 2]" 1
726 1 112 ASN HA 1 113 LEU H 2.740 . 2.800 2.467 2.375 2.530 . 0 0 "[ . 1 . 2]" 1
727 1 112 ASN H 1 115 LEU H 2.950 . 5.000 5.252 5.091 5.380 0.380 14 0 "[ . 1 . 2]" 1
728 1 112 ASN H 1 112 ASN HB3 2.900 . 3.800 3.870 3.517 4.002 0.202 11 0 "[ . 1 . 2]" 1
729 1 113 LEU HB2 1 114 PHE H 2.640 . 3.800 3.381 3.319 3.424 . 0 0 "[ . 1 . 2]" 1
730 1 113 LEU HB3 1 114 PHE H 3.210 . 3.800 2.041 1.789 2.234 0.111 20 0 "[ . 1 . 2]" 1
731 1 113 LEU HG 1 114 PHE H 3.100 . 3.800 2.020 1.892 2.245 0.008 8 0 "[ . 1 . 2]" 1
732 1 113 LEU MD1 1 114 PHE H 3.580 . 4.800 3.515 3.424 3.563 . 0 0 "[ . 1 . 2]" 1
733 1 113 LEU H 1 116 VAL H 3.600 . 5.000 5.017 4.808 5.116 0.116 5 0 "[ . 1 . 2]" 1
734 1 113 LEU H 1 114 PHE H 3.230 . 3.800 3.826 3.725 3.932 0.132 12 0 "[ . 1 . 2]" 1
735 1 113 LEU H 1 113 LEU HB3 2.950 . 3.800 2.537 2.414 2.803 . 0 0 "[ . 1 . 2]" 1
736 1 113 LEU HG 1 115 LEU H 3.300 . 5.000 4.421 4.191 4.897 . 0 0 "[ . 1 . 2]" 1
737 1 113 LEU H 1 113 LEU MD2 3.310 . 5.000 4.120 4.070 4.154 . 0 0 "[ . 1 . 2]" 1
738 1 113 LEU H 1 113 LEU HB2 2.860 . 3.800 2.547 2.337 2.649 . 0 0 "[ . 1 . 2]" 1
739 1 113 LEU H 1 113 LEU MD1 3.490 . 5.000 4.045 3.676 4.216 . 0 0 "[ . 1 . 2]" 1
740 1 114 PHE H 1 115 LEU H 2.950 . 3.800 2.804 2.722 2.931 . 0 0 "[ . 1 . 2]" 1
741 1 114 PHE HA 1 116 VAL H 3.020 . 5.000 4.666 4.401 4.926 . 0 0 "[ . 1 . 2]" 1
742 1 114 PHE HA 1 117 ALA H 2.630 . 2.800 2.830 2.700 2.915 0.115 20 0 "[ . 1 . 2]" 1
743 1 114 PHE HA 1 118 ALA H 2.460 . 3.800 3.265 3.181 3.350 . 0 0 "[ . 1 . 2]" 1
744 1 114 PHE HA 1 119 HIS H 2.490 . 5.000 5.249 5.172 5.313 0.313 3 0 "[ . 1 . 2]" 1
745 1 114 PHE HA 1 115 LEU H 2.990 . 3.800 3.420 3.329 3.504 . 0 0 "[ . 1 . 2]" 1
746 1 114 PHE HB3 1 115 LEU H 2.960 . 3.800 3.677 3.383 3.855 0.055 5 0 "[ . 1 . 2]" 1
747 1 114 PHE H 1 114 PHE HA 2.730 . 2.800 2.837 2.779 2.867 0.067 16 0 "[ . 1 . 2]" 1
748 1 114 PHE H 1 114 PHE HB2 2.600 . 3.800 3.127 2.964 3.336 . 0 0 "[ . 1 . 2]" 1
749 1 114 PHE H 1 114 PHE HB3 2.630 . 2.800 2.077 2.038 2.162 . 0 0 "[ . 1 . 2]" 1
750 1 115 LEU HB2 1 116 VAL H 3.130 . 3.800 3.306 3.082 3.540 . 0 0 "[ . 1 . 2]" 1
751 1 115 LEU H 1 116 VAL H 3.280 . 3.800 2.777 2.646 2.914 . 0 0 "[ . 1 . 2]" 1
752 1 115 LEU HB3 1 116 VAL H 3.010 . 3.800 2.022 1.867 2.246 0.033 9 0 "[ . 1 . 2]" 1
753 1 115 LEU HA 1 119 HIS H 2.820 . 5.000 4.496 4.386 4.583 . 0 0 "[ . 1 . 2]" 1
754 1 115 LEU HA 1 118 ALA H 3.080 . 3.800 3.980 3.933 4.050 0.250 9 0 "[ . 1 . 2]" 1
755 1 115 LEU H 1 117 ALA H 3.690 . 3.800 3.308 3.199 3.442 . 0 0 "[ . 1 . 2]" 1
756 1 115 LEU HG 1 116 VAL H 3.010 . 3.800 3.855 3.644 3.947 0.147 14 0 "[ . 1 . 2]" 1
757 1 115 LEU H 1 145 THR HG1 3.300 . 5.000 2.353 1.894 4.432 0.006 10 0 "[ . 1 . 2]" 1
758 1 115 LEU HB2 1 117 ALA H 3.440 . 5.000 4.874 4.683 5.041 0.041 2 0 "[ . 1 . 2]" 1
759 1 115 LEU H 1 145 THR HB 2.990 . 3.800 2.807 2.062 3.777 . 0 0 "[ . 1 . 2]" 1
760 1 115 LEU H 1 115 LEU HB3 2.410 . 2.800 2.812 2.426 2.954 0.154 9 0 "[ . 1 . 2]" 1
761 1 115 LEU H 1 115 LEU HB2 2.730 . 2.800 2.317 2.177 2.557 . 0 0 "[ . 1 . 2]" 1
762 1 115 LEU H 1 115 LEU HA 2.670 . 2.800 2.871 2.838 2.895 0.095 16 0 "[ . 1 . 2]" 1
763 1 115 LEU HA 1 116 VAL H 3.560 . 3.800 3.548 3.533 3.581 . 0 0 "[ . 1 . 2]" 1
764 1 116 VAL MG2 1 117 ALA H 2.940 . 4.800 3.635 2.331 4.009 . 0 0 "[ . 1 . 2]" 1
765 1 116 VAL H 1 136 LEU MD1 2.670 . 5.000 3.907 3.836 4.094 . 0 0 "[ . 1 . 2]" 1
766 1 116 VAL MG1 1 117 ALA H 2.270 . 5.000 4.191 4.041 4.281 . 0 0 "[ . 1 . 2]" 1
767 1 116 VAL HA 1 119 HIS H 2.490 . 2.800 3.075 2.952 3.203 0.403 5 0 "[ . 1 . 2]" 1
768 1 116 VAL HA 1 120 GLU H 2.600 . 3.800 3.914 3.865 3.992 0.192 10 0 "[ . 1 . 2]" 1
769 1 116 VAL HB 1 117 ALA H 3.040 . 3.800 3.469 3.319 3.941 0.141 13 0 "[ . 1 . 2]" 1
770 1 116 VAL H 1 117 ALA H 3.050 . 3.800 2.561 2.472 2.699 . 0 0 "[ . 1 . 2]" 1
771 1 116 VAL H 1 116 VAL MG1 2.800 . 5.000 3.566 2.510 3.788 . 0 0 "[ . 1 . 2]" 1
772 1 116 VAL HA 1 117 ALA H 2.630 . 3.800 3.408 3.355 3.442 . 0 0 "[ . 1 . 2]" 1
773 1 116 VAL H 1 116 VAL HB 2.920 . 3.800 2.868 2.547 3.582 . 0 0 "[ . 1 . 2]" 1
774 1 116 VAL H 1 145 THR HB 3.020 . 5.000 4.602 4.193 5.034 0.034 2 0 "[ . 1 . 2]" 1
775 1 116 VAL H 1 116 VAL MG2 2.670 . 3.800 1.927 1.782 2.134 0.118 18 0 "[ . 1 . 2]" 1
776 1 116 VAL H 1 145 THR HG1 2.800 . 5.000 4.740 4.181 5.031 0.031 6 0 "[ . 1 . 2]" 1
777 1 117 ALA H 1 136 LEU MD1 2.940 . 5.000 4.283 4.006 4.418 . 0 0 "[ . 1 . 2]" 1
778 1 117 ALA MB 1 118 ALA H 3.200 . 4.800 2.189 2.111 2.241 . 0 0 "[ . 1 . 2]" 1
779 1 117 ALA H 1 118 ALA H 2.910 . 3.800 2.702 2.637 2.848 . 0 0 "[ . 1 . 2]" 1
780 1 117 ALA MB 1 121 ILE H 2.790 . 5.000 4.354 4.285 4.436 . 0 0 "[ . 1 . 2]" 1
781 1 117 ALA H 1 136 LEU HG 3.070 . 5.000 5.220 5.148 5.287 0.287 13 0 "[ . 1 . 2]" 1
782 1 117 ALA H 1 117 ALA MB 2.270 . 3.800 2.273 2.225 2.298 . 0 0 "[ . 1 . 2]" 1
783 1 118 ALA H 1 136 LEU HG 2.550 . 3.800 3.776 3.676 3.861 0.061 20 0 "[ . 1 . 2]" 1
784 1 118 ALA HA 1 120 GLU H 2.600 . 3.800 4.206 4.041 4.359 0.559 8 4 "[* . + 1 * . -2]" 1
785 1 118 ALA HA 1 122 GLY H 2.630 . 2.800 2.934 2.902 2.962 0.162 9 0 "[ . 1 . 2]" 1
786 1 118 ALA HA 1 121 ILE H 2.790 . 2.800 3.276 3.239 3.332 0.532 3 4 "[ *+ . * 1 . -2]" 1
787 1 118 ALA H 1 119 HIS H 3.100 . 3.800 2.482 2.448 2.547 . 0 0 "[ . 1 . 2]" 1
788 1 118 ALA MB 1 119 HIS H 2.710 . 3.800 3.086 3.036 3.122 . 0 0 "[ . 1 . 2]" 1
789 1 118 ALA H 1 118 ALA MB 2.260 . 3.800 2.049 2.036 2.074 . 0 0 "[ . 1 . 2]" 1
790 1 118 ALA HA 1 119 HIS H 2.490 . 3.800 3.415 3.397 3.452 . 0 0 "[ . 1 . 2]" 1
791 1 118 ALA HA 1 123 HIS H 2.540 . 5.000 5.183 5.147 5.202 0.202 6 0 "[ . 1 . 2]" 1
792 1 118 ALA H 1 118 ALA HA 2.460 . 2.800 2.859 2.843 2.867 0.067 9 0 "[ . 1 . 2]" 1
793 1 118 ALA MB 1 121 ILE H 3.170 . 5.500 4.712 4.682 4.754 . 0 0 "[ . 1 . 2]" 1
794 1 119 HIS HA 1 122 GLY H 3.420 . 3.800 3.955 3.919 3.987 0.187 13 0 "[ . 1 . 2]" 1
795 1 119 HIS H 1 120 GLU H 3.050 . 3.800 2.591 2.536 2.671 . 0 0 "[ . 1 . 2]" 1
796 1 119 HIS H 1 136 LEU MD1 2.980 . 4.800 3.459 2.129 3.817 . 0 0 "[ . 1 . 2]" 1
797 1 119 HIS H 1 136 LEU HG 2.860 . 3.800 3.480 3.082 3.759 . 0 0 "[ . 1 . 2]" 1
798 1 119 HIS HA 1 120 GLU H 3.370 . 3.800 3.565 3.542 3.582 . 0 0 "[ . 1 . 2]" 1
799 1 119 HIS H 1 119 HIS HA 2.810 . 3.800 2.904 2.892 2.915 . 0 0 "[ . 1 . 2]" 1
800 1 120 GLU HA 1 123 HIS H 2.540 . 2.800 2.871 2.846 2.894 0.094 2 0 "[ . 1 . 2]" 1
801 1 120 GLU H 1 121 ILE H 3.180 . 3.800 2.575 2.484 2.636 . 0 0 "[ . 1 . 2]" 1
802 1 120 GLU HB3 1 121 ILE H 2.560 . 3.800 3.755 3.637 3.848 0.048 17 0 "[ . 1 . 2]" 1
803 1 120 GLU HA 1 122 GLY H 2.630 . 3.800 3.988 3.964 4.009 0.209 2 0 "[ . 1 . 2]" 1
804 1 120 GLU H 1 120 GLU HA 2.600 . 2.800 2.908 2.893 2.925 0.125 9 0 "[ . 1 . 2]" 1
805 1 120 GLU HA 1 121 ILE H 2.790 . 5.000 3.597 3.583 3.610 . 0 0 "[ . 1 . 2]" 1
806 1 120 GLU H 1 120 GLU HB3 2.970 . 3.800 3.648 3.625 3.677 . 0 0 "[ . 1 . 2]" 1
807 1 121 ILE HA 1 123 HIS H 3.540 . 3.800 4.206 4.086 4.370 0.570 16 3 "[ . *1 .+- 2]" 1
808 1 121 ILE HG13 1 122 GLY H 3.250 . 3.800 4.005 3.951 4.073 0.273 2 0 "[ . 1 . 2]" 1
809 1 121 ILE H 1 122 GLY H 3.070 . 3.800 2.450 2.389 2.511 . 0 0 "[ . 1 . 2]" 1
810 1 121 ILE HB 1 122 GLY H 3.090 . 3.800 2.737 2.693 2.790 . 0 0 "[ . 1 . 2]" 1
811 1 121 ILE H 1 121 ILE HG13 2.780 . 2.800 2.073 1.977 2.165 . 0 0 "[ . 1 . 2]" 1
812 1 121 ILE H 1 121 ILE MD 2.720 . 5.000 3.709 3.655 3.780 . 0 0 "[ . 1 . 2]" 1
813 1 121 ILE H 1 121 ILE HB 2.560 . 2.800 2.546 2.484 2.612 . 0 0 "[ . 1 . 2]" 1
814 1 122 GLY HA2 1 123 HIS H 3.160 . 3.800 3.487 3.465 3.511 . 0 0 "[ . 1 . 2]" 1
815 1 122 GLY H 1 123 HIS H 3.130 . 3.800 2.331 2.289 2.367 . 0 0 "[ . 1 . 2]" 1
816 1 122 GLY H 1 137 MET ME 3.100 . 4.800 3.719 2.763 4.072 . 0 0 "[ . 1 . 2]" 1
817 1 122 GLY HA3 1 127 LEU H 2.460 . 5.000 3.857 3.705 4.079 . 0 0 "[ . 1 . 2]" 1
818 1 122 GLY HA3 1 123 HIS H 2.540 . 2.800 2.856 2.833 2.890 0.090 4 0 "[ . 1 . 2]" 1
819 1 122 GLY H 1 122 GLY HA3 2.630 . 2.800 2.357 2.349 2.366 . 0 0 "[ . 1 . 2]" 1
820 1 122 GLY H 1 122 GLY HA2 2.910 . 3.800 2.936 2.930 2.950 . 0 0 "[ . 1 . 2]" 1
821 1 123 HIS HB3 1 124 SER H 2.600 . 2.800 2.581 2.476 2.694 . 0 0 "[ . 1 . 2]" 1
822 1 123 HIS H 1 126 GLY H 2.890 . 5.000 4.712 4.279 4.950 . 0 0 "[ . 1 . 2]" 1
823 1 123 HIS H 1 124 SER H 2.940 . 3.800 2.832 2.749 2.921 . 0 0 "[ . 1 . 2]" 1
824 1 123 HIS H 1 137 MET ME 2.910 . 4.800 3.082 2.447 3.611 . 0 0 "[ . 1 . 2]" 1
825 1 123 HIS H 1 123 HIS HB2 3.080 . 3.800 2.037 2.026 2.065 . 0 0 "[ . 1 . 2]" 1
826 1 123 HIS HB2 1 124 SER H 3.100 . 3.800 3.011 2.870 3.176 . 0 0 "[ . 1 . 2]" 1
827 1 123 HIS HB3 1 125 LEU H 3.320 . 5.000 5.220 5.149 5.276 0.276 10 0 "[ . 1 . 2]" 1
828 1 124 SER H 1 125 LEU H 2.900 . 3.800 2.687 2.553 2.827 . 0 0 "[ . 1 . 2]" 1
829 1 124 SER H 1 127 LEU H 2.920 . 5.000 4.994 4.897 5.047 0.047 5 0 "[ . 1 . 2]" 1
830 1 124 SER HB2 1 125 LEU H 3.340 . 3.800 2.824 1.944 3.729 . 0 0 "[ . 1 . 2]" 1
831 1 124 SER H 1 124 SER HB2 2.700 . 3.800 3.050 2.343 3.618 . 0 0 "[ . 1 . 2]" 1
832 1 125 LEU H 1 126 GLY H 2.900 . 3.800 2.756 2.252 2.995 . 0 0 "[ . 1 . 2]" 1
833 1 125 LEU H 1 127 LEU H 3.600 . 5.000 5.120 5.075 5.171 0.171 19 0 "[ . 1 . 2]" 1
834 1 125 LEU QB 1 126 GLY H 3.270 . 3.800 3.850 3.592 4.041 0.241 12 0 "[ . 1 . 2]" 1
835 1 125 LEU H 1 125 LEU MD1 2.900 . 5.000 3.638 1.969 4.254 . 0 0 "[ . 1 . 2]" 1
836 1 125 LEU H 1 125 LEU QB 2.850 . 3.800 2.508 2.119 2.915 . 0 0 "[ . 1 . 2]" 1
837 1 125 LEU H 1 125 LEU MD2 2.960 . 4.800 2.953 1.760 4.054 0.140 16 0 "[ . 1 . 2]" 1
838 1 125 LEU H 1 125 LEU HG 2.890 . 3.800 3.095 1.853 3.982 0.182 10 0 "[ . 1 . 2]" 1
839 1 125 LEU H 1 163 LEU MD1 3.190 . 5.000 4.311 4.254 4.377 . 0 0 "[ . 1 . 2]" 1
840 1 126 GLY H 1 160 ILE MD 3.220 . 4.800 3.853 3.673 3.985 . 0 0 "[ . 1 . 2]" 1
841 1 126 GLY H 1 127 LEU H 2.920 . 3.800 2.735 2.492 2.993 . 0 0 "[ . 1 . 2]" 1
842 1 126 GLY H 1 163 LEU MD1 3.220 . 4.800 2.565 2.166 3.314 . 0 0 "[ . 1 . 2]" 1
843 1 127 LEU MD2 1 160 ILE H 3.200 . 4.800 1.813 1.706 1.915 0.194 15 0 "[ . 1 . 2]" 1
844 1 127 LEU HG 1 160 ILE H 3.080 . 5.000 4.227 4.054 4.411 . 0 0 "[ . 1 . 2]" 1
845 1 127 LEU HB3 1 160 ILE H 2.530 . 2.800 2.803 2.618 2.845 0.045 20 0 "[ . 1 . 2]" 1
846 1 127 LEU H 1 163 LEU MD1 2.750 . 5.000 3.550 3.243 4.004 . 0 0 "[ . 1 . 2]" 1
847 1 127 LEU HG 1 128 PHE H 3.040 . 3.800 3.733 3.483 3.845 0.045 2 0 "[ . 1 . 2]" 1
848 1 127 LEU MD2 1 128 PHE H 3.170 . 4.800 3.920 3.747 4.092 . 0 0 "[ . 1 . 2]" 1
849 1 127 LEU MD1 1 128 PHE H 3.450 . 4.800 1.912 1.825 2.138 0.075 3 0 "[ . 1 . 2]" 1
850 1 127 LEU HB3 1 128 PHE H 3.040 . 3.800 3.462 3.390 3.517 . 0 0 "[ . 1 . 2]" 1
851 1 127 LEU HB3 1 161 GLN H 2.630 . 5.000 5.069 5.007 5.137 0.137 14 0 "[ . 1 . 2]" 1
852 1 127 LEU MD2 1 159 GLY H 3.490 . 4.800 2.747 2.506 3.188 . 0 0 "[ . 1 . 2]" 1
853 1 127 LEU HB3 1 162 SER H 3.010 . 5.000 5.008 4.865 5.064 0.064 10 0 "[ . 1 . 2]" 1
854 1 128 PHE H 1 159 GLY HA2 3.220 . 5.000 5.064 5.043 5.100 0.100 17 0 "[ . 1 . 2]" 1
855 1 130 SER HB3 1 155 ASP H 3.260 . 3.800 4.106 3.979 4.270 0.470 19 0 "[ . 1 . 2]" 1
856 1 130 SER H 1 137 MET HB3 3.400 . 3.800 3.829 3.415 3.948 0.148 13 0 "[ . 1 . 2]" 1
857 1 130 SER HB2 1 155 ASP H 3.240 . 5.000 5.102 5.049 5.154 0.154 15 0 "[ . 1 . 2]" 1
858 1 130 SER H 1 156 ASP HA 2.860 . 3.800 3.580 3.432 3.835 0.035 13 0 "[ . 1 . 2]" 1
859 1 130 SER H 1 130 SER HB2 3.340 . 3.800 2.239 2.144 2.342 . 0 0 "[ . 1 . 2]" 1
860 1 131 ALA HA 1 132 ASN H 2.360 . 2.800 2.332 2.289 2.379 . 0 0 "[ . 1 . 2]" 1
861 1 131 ALA H 1 156 ASP HA 2.520 . 5.000 5.082 5.018 5.114 0.114 20 0 "[ . 1 . 2]" 1
862 1 131 ALA MB 1 132 ASN H 3.020 . 4.800 3.662 3.629 3.684 . 0 0 "[ . 1 . 2]" 1
863 1 131 ALA HA 1 133 THR H 2.290 . 2.800 3.211 3.123 3.346 0.546 13 2 "[ . 1 + . -]" 1
864 1 131 ALA H 1 131 ALA HA 2.520 . 2.800 2.866 2.848 2.885 0.085 7 0 "[ . 1 . 2]" 1
865 1 131 ALA HA 1 135 ALA H 2.810 . 5.000 5.341 5.244 5.375 0.375 19 0 "[ . 1 . 2]" 1
866 1 131 ALA H 1 131 ALA MB 3.230 . 4.800 2.119 2.053 2.223 . 0 0 "[ . 1 . 2]" 1
867 1 132 ASN HA 1 135 ALA H 2.810 . 5.000 1.806 1.767 1.832 0.133 4 0 "[ . 1 . 2]" 1
868 1 132 ASN HB3 1 153 SER H 3.630 . 5.000 5.324 5.268 5.435 0.435 15 0 "[ . 1 . 2]" 1
869 1 132 ASN H 1 133 THR H 3.380 . 3.800 2.723 2.668 2.769 . 0 0 "[ . 1 . 2]" 1
870 1 132 ASN HB2 1 133 THR H 3.400 . 3.800 3.892 3.845 3.938 0.138 13 0 "[ . 1 . 2]" 1
871 1 132 ASN HA 1 133 THR H 2.290 . 3.800 3.152 3.110 3.188 . 0 0 "[ . 1 . 2]" 1
872 1 132 ASN HA 1 134 GLU H 2.740 . 3.800 2.896 2.839 2.932 . 0 0 "[ . 1 . 2]" 1
873 1 132 ASN HB3 1 135 ALA H 3.630 . 5.000 3.665 3.578 3.776 . 0 0 "[ . 1 . 2]" 1
874 1 132 ASN H 1 132 ASN HB2 2.900 . 3.800 3.046 2.958 3.238 . 0 0 "[ . 1 . 2]" 1
875 1 132 ASN H 1 132 ASN HB3 3.050 . 3.800 3.591 3.529 3.649 . 0 0 "[ . 1 . 2]" 1
876 1 132 ASN H 1 132 ASN HA 2.360 . 2.800 2.880 2.859 2.894 0.094 1 0 "[ . 1 . 2]" 1
877 1 133 THR H 1 134 GLU H 3.310 . 3.800 2.470 2.432 2.500 . 0 0 "[ . 1 . 2]" 1
878 1 133 THR HG1 1 134 GLU H 2.750 . 2.800 2.461 1.936 2.805 0.005 20 0 "[ . 1 . 2]" 1
879 1 133 THR H 1 135 ALA H 3.310 . 3.800 3.526 3.473 3.561 . 0 0 "[ . 1 . 2]" 1
880 1 133 THR H 1 133 THR HA 2.950 . 3.800 2.845 2.835 2.853 . 0 0 "[ . 1 . 2]" 1
881 1 133 THR H 1 133 THR HB 3.370 . 5.000 3.563 3.388 3.641 . 0 0 "[ . 1 . 2]" 1
882 1 133 THR H 1 133 THR HG1 2.470 . 5.000 2.431 1.896 3.242 0.004 20 0 "[ . 1 . 2]" 1
883 1 134 GLU HA 1 135 ALA H 2.990 . 3.800 3.558 3.548 3.573 . 0 0 "[ . 1 . 2]" 1
884 1 134 GLU H 1 135 ALA H 2.710 . 2.800 1.878 1.856 1.899 0.044 20 0 "[ . 1 . 2]" 1
885 1 134 GLU HB2 1 155 ASP H 3.310 . 5.000 4.637 4.447 4.848 . 0 0 "[ . 1 . 2]" 1
886 1 134 GLU HB2 1 154 GLN H 3.610 . 3.800 3.960 3.925 3.980 0.180 3 0 "[ . 1 . 2]" 1
887 1 134 GLU HB3 1 135 ALA H 3.020 . 3.800 3.923 3.897 3.940 0.140 5 0 "[ . 1 . 2]" 1
888 1 134 GLU H 1 134 GLU HA 2.760 . 3.800 2.980 2.977 2.982 . 0 0 "[ . 1 . 2]" 1
889 1 134 GLU H 1 134 GLU HB2 2.620 . 2.800 2.754 2.666 2.798 . 0 0 "[ . 1 . 2]" 1
890 1 135 ALA MB 1 155 ASP H 3.350 . 4.800 3.381 2.986 3.818 . 0 0 "[ . 1 . 2]" 1
891 1 135 ALA HA 1 156 ASP H 3.250 . 3.800 4.061 3.868 4.215 0.415 9 0 "[ . 1 . 2]" 1
892 1 135 ALA MB 1 156 ASP H 3.150 . 4.800 2.215 1.822 2.547 0.078 14 0 "[ . 1 . 2]" 1
893 1 135 ALA MB 1 138 TYR H 2.840 . 4.800 3.648 3.346 3.841 . 0 0 "[ . 1 . 2]" 1
894 1 135 ALA H 1 137 MET H 3.310 . 5.000 5.038 4.973 5.091 0.091 20 0 "[ . 1 . 2]" 1
895 1 135 ALA MB 1 137 MET H 2.850 . 4.800 2.301 2.253 2.408 . 0 0 "[ . 1 . 2]" 1
896 1 135 ALA MB 1 153 SER H 3.310 . 4.800 2.242 2.098 2.464 . 0 0 "[ . 1 . 2]" 1
897 1 135 ALA MB 1 136 LEU H 2.820 . 4.800 2.064 1.823 2.536 0.077 4 0 "[ . 1 . 2]" 1
898 1 135 ALA H 1 156 ASP HB2 3.630 . 5.000 5.040 4.860 5.087 0.087 12 0 "[ . 1 . 2]" 1
899 1 135 ALA H 1 135 ALA MB 2.540 . 3.800 2.131 2.083 2.185 . 0 0 "[ . 1 . 2]" 1
900 1 135 ALA H 1 135 ALA HA 2.810 . 3.800 2.846 2.818 2.884 . 0 0 "[ . 1 . 2]" 1
901 1 136 LEU HB3 1 138 TYR H 2.840 . 5.000 5.113 5.041 5.242 0.242 20 0 "[ . 1 . 2]" 1
902 1 136 LEU HA 1 138 TYR H 2.980 . 3.800 3.715 3.573 3.806 0.006 7 0 "[ . 1 . 2]" 1
903 1 136 LEU HA 1 137 MET H 2.920 . 3.800 3.447 3.323 3.536 . 0 0 "[ . 1 . 2]" 1
904 1 136 LEU HB3 1 137 MET H 2.850 . 3.800 3.241 3.026 3.483 . 0 0 "[ . 1 . 2]" 1
905 1 136 LEU H 1 153 SER HB3 3.630 . 3.800 4.026 3.940 4.178 0.378 4 0 "[ . 1 . 2]" 1
906 1 136 LEU HB3 1 153 SER H 3.310 . 5.000 4.949 4.464 5.112 0.112 13 0 "[ . 1 . 2]" 1
907 1 136 LEU H 1 136 LEU HA 2.760 . 2.800 2.930 2.805 2.972 0.172 4 0 "[ . 1 . 2]" 1
908 1 136 LEU H 1 137 MET H 3.380 . 3.800 2.400 1.949 2.963 . 0 0 "[ . 1 . 2]" 1
909 1 136 LEU H 1 136 LEU HG 3.370 . 5.000 4.643 4.421 4.823 . 0 0 "[ . 1 . 2]" 1
910 1 136 LEU H 1 136 LEU MD1 3.390 . 5.000 4.070 4.014 4.090 . 0 0 "[ . 1 . 2]" 1
911 1 136 LEU MD1 1 137 MET H 3.320 . 5.000 3.958 3.403 4.040 . 0 0 "[ . 1 . 2]" 1
912 1 136 LEU H 1 136 LEU HB3 2.820 . 3.800 2.681 2.363 2.932 . 0 0 "[ . 1 . 2]" 1
913 1 137 MET H 1 156 ASP HB2 3.240 . 3.800 3.918 3.723 4.026 0.226 15 0 "[ . 1 . 2]" 1
914 1 137 MET HA 1 138 TYR H 2.980 . 3.800 3.374 3.288 3.441 . 0 0 "[ . 1 . 2]" 1
915 1 137 MET HA 1 140 LEU H 3.090 . 5.090 5.337 5.241 5.535 0.445 15 0 "[ . 1 . 2]" 1
916 1 137 MET H 1 137 MET HB3 3.220 . 3.800 3.282 2.982 3.703 . 0 0 "[ . 1 . 2]" 1
917 1 137 MET H 1 137 MET ME 3.630 . 5.000 3.900 3.418 4.192 . 0 0 "[ . 1 . 2]" 1
918 1 137 MET H 1 137 MET HA 2.920 . 3.800 2.924 2.900 2.960 . 0 0 "[ . 1 . 2]" 1
919 1 139 PRO HB3 1 140 LEU H 2.600 . 3.800 3.961 3.911 4.000 0.200 15 0 "[ . 1 . 2]" 1
920 1 140 LEU H 1 140 LEU HB3 2.600 . 3.800 2.793 2.611 3.281 . 0 0 "[ . 1 . 2]" 1
921 1 141 TYR HA 1 142 HIS H 2.670 . 2.800 2.642 2.579 2.749 . 0 0 "[ . 1 . 2]" 1
922 1 141 TYR H 1 141 TYR HA 2.620 . 2.800 2.878 2.863 2.903 0.103 14 0 "[ . 1 . 2]" 1
923 1 141 TYR H 1 141 TYR HB2 3.160 . 3.800 2.336 2.077 2.787 . 0 0 "[ . 1 . 2]" 1
924 1 143 SER HA 1 144 LEU H 2.830 . 3.800 2.209 2.194 2.257 . 0 0 "[ . 1 . 2]" 1
925 1 143 SER HB3 1 144 LEU H 3.550 . 3.800 3.673 3.463 3.861 0.061 17 0 "[ . 1 . 2]" 1
926 1 144 LEU QB 1 151 ARG H 2.530 . 2.800 3.389 2.964 4.572 1.772 5 7 "[** + * **- . 2]" 1
927 1 144 LEU HA 1 147 LEU H 2.650 . 3.800 3.891 3.816 3.989 0.189 7 0 "[ . 1 . 2]" 1
928 1 144 LEU HA 1 151 ARG H 3.040 . 5.000 5.051 4.455 5.179 0.179 2 0 "[ . 1 . 2]" 1
929 1 144 LEU H 1 144 LEU HA 2.290 . 2.800 2.840 2.832 2.854 0.054 4 0 "[ . 1 . 2]" 1
930 1 144 LEU HA 1 150 PHE H 2.280 . 5.000 3.259 2.703 4.150 . 0 0 "[ . 1 . 2]" 1
931 1 145 THR HA 1 151 ARG H 2.190 . 3.800 4.900 3.003 5.106 1.306 17 19 "[* **************+*-*]" 1
932 1 147 LEU HB2 1 149 ARG H 2.630 . 2.800 2.833 2.537 2.907 0.107 10 0 "[ . 1 . 2]" 1
933 1 147 LEU HA 1 149 ARG H 3.110 . 3.800 5.057 4.732 5.158 1.358 19 20 [*-****************+*] 1
934 1 147 LEU MD2 1 150 PHE H 3.530 . 4.800 3.383 2.819 3.682 . 0 0 "[ . 1 . 2]" 1
935 1 147 LEU HB2 1 150 PHE H 3.400 . 3.800 3.533 3.230 3.812 0.012 7 0 "[ . 1 . 2]" 1
936 1 148 THR HG1 1 149 ARG H 3.430 . 3.800 3.323 2.420 3.808 0.008 19 0 "[ . 1 . 2]" 1
937 1 148 THR HA 1 149 ARG H 3.110 . 3.800 3.454 3.307 3.509 . 0 0 "[ . 1 . 2]" 1
938 1 148 THR H 1 148 THR HB 3.370 . 3.800 3.670 3.218 3.829 0.029 7 0 "[ . 1 . 2]" 1
939 1 149 ARG HG3 1 150 PHE H 3.400 . 3.800 3.892 3.829 3.952 0.152 5 0 "[ . 1 . 2]" 1
940 1 149 ARG HD3 1 150 PHE H 2.890 . 3.800 3.793 3.611 3.827 0.027 1 0 "[ . 1 . 2]" 1
941 1 149 ARG HA 1 150 PHE H 3.210 . 3.800 3.448 3.378 3.524 . 0 0 "[ . 1 . 2]" 1
942 1 149 ARG HB2 1 150 PHE H 3.400 . 3.800 2.898 2.393 3.250 . 0 0 "[ . 1 . 2]" 1
943 1 149 ARG H 1 150 PHE HA 3.460 . 5.000 4.595 4.401 4.813 . 0 0 "[ . 1 . 2]" 1
944 1 149 ARG H 1 149 ARG HA 2.840 . 3.800 2.979 2.928 3.001 . 0 0 "[ . 1 . 2]" 1
945 1 149 ARG H 1 149 ARG HB2 2.630 . 2.800 2.825 2.753 2.863 0.063 16 0 "[ . 1 . 2]" 1
946 1 149 ARG H 1 149 ARG HB3 3.030 . 3.800 3.712 3.591 3.843 0.043 4 0 "[ . 1 . 2]" 1
947 1 149 ARG H 1 149 ARG HD3 3.460 . 5.000 3.041 2.605 3.787 . 0 0 "[ . 1 . 2]" 1
948 1 150 PHE HA 1 151 ARG H 2.190 . 3.800 2.191 2.169 2.224 . 0 0 "[ . 1 . 2]" 1
949 1 150 PHE HB2 1 151 ARG H 3.200 . 3.800 3.662 3.299 3.895 0.095 7 0 "[ . 1 . 2]" 1
950 1 150 PHE H 1 151 ARG H 3.390 . 3.800 4.374 4.137 4.575 0.775 19 13 "[ * .* **-* **** *+*]" 1
951 1 150 PHE H 1 150 PHE HA 2.840 . 3.800 2.630 2.497 2.731 . 0 0 "[ . 1 . 2]" 1
952 1 150 PHE H 1 150 PHE HB3 2.890 . 3.800 2.442 2.307 2.678 . 0 0 "[ . 1 . 2]" 1
953 1 151 ARG HG2 1 153 SER H 2.780 . 5.000 4.986 4.843 5.064 0.064 16 0 "[ . 1 . 2]" 1
954 1 151 ARG HB3 1 152 LEU H 2.810 . 3.800 3.925 3.881 3.982 0.182 10 0 "[ . 1 . 2]" 1
955 1 151 ARG HG2 1 152 LEU H 2.320 . 2.800 2.521 2.043 2.880 0.080 20 0 "[ . 1 . 2]" 1
956 1 151 ARG HA 1 152 LEU H 2.330 . 2.800 2.441 2.298 2.582 . 0 0 "[ . 1 . 2]" 1
957 1 151 ARG H 1 151 ARG HB3 3.030 . 3.800 3.232 2.939 3.398 . 0 0 "[ . 1 . 2]" 1
958 1 151 ARG H 1 151 ARG HA 2.690 . 2.800 2.835 2.817 2.916 0.116 2 0 "[ . 1 . 2]" 1
959 1 151 ARG H 1 151 ARG HG3 2.530 . 5.000 4.805 4.543 5.050 0.050 5 0 "[ . 1 . 2]" 1
960 1 151 ARG H 1 151 ARG HB2 2.530 . 5.000 3.926 3.501 4.169 . 0 0 "[ . 1 . 2]" 1
961 1 151 ARG H 1 151 ARG HD3 2.960 . 5.000 4.060 2.026 5.155 0.155 19 0 "[ . 1 . 2]" 1
962 1 152 LEU MD1 1 153 SER H 3.060 . 4.800 3.701 1.515 4.033 0.385 4 0 "[ . 1 . 2]" 1
963 1 152 LEU HA 1 153 SER H 2.610 . 2.800 2.474 2.421 2.640 . 0 0 "[ . 1 . 2]" 1
964 1 152 LEU HB3 1 153 SER H 2.780 . 2.800 2.603 2.367 2.968 0.168 5 0 "[ . 1 . 2]" 1
965 1 152 LEU HG 1 153 SER H 2.780 . 2.800 2.863 2.423 3.060 0.260 3 0 "[ . 1 . 2]" 1
966 1 152 LEU H 1 152 LEU HG 2.320 . 5.000 4.316 4.170 4.730 . 0 0 "[ . 1 . 2]" 1
967 1 152 LEU H 1 152 LEU HA 2.990 . 3.800 2.927 2.884 2.966 . 0 0 "[ . 1 . 2]" 1
968 1 152 LEU H 1 152 LEU HB3 2.320 . 3.800 3.337 2.949 3.431 . 0 0 "[ . 1 . 2]" 1
969 1 152 LEU HG 1 156 ASP H 3.490 . 5.000 4.927 3.844 5.130 0.130 9 0 "[ . 1 . 2]" 1
970 1 152 LEU H 1 152 LEU MD1 2.860 . 4.800 2.835 2.521 4.003 . 0 0 "[ . 1 . 2]" 1
971 1 153 SER HB3 1 155 ASP H 3.240 . 5.000 3.008 2.682 4.212 . 0 0 "[ . 1 . 2]" 1
972 1 154 GLN HB3 1 155 ASP H 3.310 . 3.800 3.536 3.062 3.938 0.138 11 0 "[ . 1 . 2]" 1
973 1 154 GLN HA 1 158 ASN H 3.380 . 3.800 3.876 3.833 3.934 0.134 9 0 "[ . 1 . 2]" 1
974 1 154 GLN HE21 1 158 ASN H 3.510 . 5.000 4.568 3.694 4.988 . 0 0 "[ . 1 . 2]" 1
975 1 154 GLN H 1 154 GLN HB3 3.610 . 3.800 2.777 2.332 3.426 . 0 0 "[ . 1 . 2]" 1
976 1 155 ASP HB2 1 156 ASP H 3.480 . 3.800 2.651 2.432 3.161 . 0 0 "[ . 1 . 2]" 1
977 1 155 ASP HA 1 156 ASP H 3.250 . 3.800 3.624 3.589 3.654 . 0 0 "[ . 1 . 2]" 1
978 1 155 ASP H 1 156 ASP H 3.630 . 3.800 2.467 2.390 2.547 . 0 0 "[ . 1 . 2]" 1
979 1 155 ASP HB3 1 156 ASP H 2.980 . 3.800 3.617 2.875 3.857 0.057 11 0 "[ . 1 . 2]" 1
980 1 155 ASP HB3 1 158 ASN H 2.880 . 5.000 5.026 4.973 5.125 0.125 17 0 "[ . 1 . 2]" 1
981 1 155 ASP H 1 155 ASP HB2 3.210 . 3.800 2.522 2.070 2.771 . 0 0 "[ . 1 . 2]" 1
982 1 155 ASP HB3 1 159 GLY H 3.080 . 5.000 5.064 5.014 5.120 0.120 19 0 "[ . 1 . 2]" 1
983 1 155 ASP H 1 155 ASP HA 2.940 . 3.800 2.912 2.902 2.923 . 0 0 "[ . 1 . 2]" 1
984 1 155 ASP H 1 155 ASP HB3 2.910 . 3.800 3.526 3.190 3.638 . 0 0 "[ . 1 . 2]" 1
985 1 156 ASP HA 1 160 ILE H 3.470 . 3.800 3.843 3.767 3.965 0.165 17 0 "[ . 1 . 2]" 1
986 1 156 ASP HA 1 158 ASN H 2.380 . 3.800 3.923 3.858 4.011 0.211 5 0 "[ . 1 . 2]" 1
987 1 156 ASP H 1 158 ASN H 3.510 . 3.800 3.789 3.730 3.827 0.027 6 0 "[ . 1 . 2]" 1
988 1 156 ASP H 1 157 ILE H 3.210 . 3.800 2.538 2.478 2.629 . 0 0 "[ . 1 . 2]" 1
989 1 156 ASP HB3 1 157 ILE H 3.300 . 3.800 3.062 2.532 3.287 . 0 0 "[ . 1 . 2]" 1
990 1 156 ASP HA 1 159 GLY H 2.850 . 3.800 2.975 2.836 3.169 . 0 0 "[ . 1 . 2]" 1
991 1 156 ASP H 1 156 ASP HB3 3.200 . 3.800 3.236 2.407 3.498 . 0 0 "[ . 1 . 2]" 1
992 1 157 ILE MD 1 158 ASN H 2.880 . 4.800 3.969 3.900 4.042 . 0 0 "[ . 1 . 2]" 1
993 1 157 ILE H 1 158 ASN H 3.030 . 3.800 2.542 2.413 2.594 . 0 0 "[ . 1 . 2]" 1
994 1 157 ILE HB 1 158 ASN H 2.760 . 2.800 2.782 2.479 2.856 0.056 4 0 "[ . 1 . 2]" 1
995 1 157 ILE MG 1 158 ASN H 2.760 . 3.800 3.033 2.952 3.181 . 0 0 "[ . 1 . 2]" 1
996 1 157 ILE HA 1 158 ASN H 3.540 . 3.800 3.493 3.472 3.517 . 0 0 "[ . 1 . 2]" 1
997 1 157 ILE MG 1 161 GLN H 3.140 . 5.000 3.761 3.517 3.918 . 0 0 "[ . 1 . 2]" 1
998 1 157 ILE H 1 157 ILE HB 2.740 . 2.800 2.212 2.163 2.353 . 0 0 "[ . 1 . 2]" 1
999 1 157 ILE H 1 157 ILE MG 2.780 . 5.000 3.651 3.603 3.730 . 0 0 "[ . 1 . 2]" 1
1000 1 157 ILE H 1 157 ILE MD 2.570 . 3.800 2.094 1.850 3.094 0.050 20 0 "[ . 1 . 2]" 1
1001 1 158 ASN HA 1 159 GLY H 3.110 . 3.800 3.576 3.567 3.586 . 0 0 "[ . 1 . 2]" 1
1002 1 158 ASN HA 1 160 ILE H 3.030 . 5.030 4.852 4.665 5.032 0.002 15 0 "[ . 1 . 2]" 1
1003 1 158 ASN HB2 1 159 GLY H 3.080 . 3.800 3.304 2.676 3.774 . 0 0 "[ . 1 . 2]" 1
1004 1 158 ASN H 1 159 GLY H 3.080 . 3.800 2.724 2.649 2.865 . 0 0 "[ . 1 . 2]" 1
1005 1 158 ASN HB3 1 159 GLY H 3.190 . 3.800 2.508 2.148 2.746 . 0 0 "[ . 1 . 2]" 1
1006 1 158 ASN H 1 158 ASN HB3 2.820 . 3.800 3.029 2.598 3.435 . 0 0 "[ . 1 . 2]" 1
1007 1 158 ASN H 1 158 ASN HB2 2.880 . 3.800 2.212 2.084 2.524 . 0 0 "[ . 1 . 2]" 1
1008 1 158 ASN H 1 158 ASN HA 2.820 . 3.800 2.885 2.860 2.895 . 0 0 "[ . 1 . 2]" 1
1009 1 159 GLY HA3 1 161 GLN H 3.000 . 5.000 4.811 4.684 5.009 0.009 19 0 "[ . 1 . 2]" 1
1010 1 159 GLY HA3 1 160 ILE H 3.310 . 3.800 2.702 2.622 2.805 . 0 0 "[ . 1 . 2]" 1
1011 1 159 GLY H 1 160 ILE H 3.390 . 3.800 2.926 2.800 3.031 . 0 0 "[ . 1 . 2]" 1
1012 1 159 GLY H 1 159 GLY HA3 2.980 . 3.800 2.345 2.339 2.353 . 0 0 "[ . 1 . 2]" 1
1013 1 159 GLY H 1 159 GLY HA2 2.940 . 3.800 2.838 2.788 2.867 . 0 0 "[ . 1 . 2]" 1
1014 1 159 GLY HA2 1 160 ILE H 3.080 . 3.800 3.603 3.595 3.619 . 0 0 "[ . 1 . 2]" 1
1015 1 160 ILE MG 1 161 GLN H 2.630 . 3.800 1.828 1.732 1.934 0.168 19 0 "[ . 1 . 2]" 1
1016 1 160 ILE HG13 1 161 GLN H 2.890 . 3.800 3.450 3.208 3.885 0.085 19 0 "[ . 1 . 2]" 1
1017 1 160 ILE MD 1 161 GLN H 3.140 . 4.800 4.014 3.752 4.081 . 0 0 "[ . 1 . 2]" 1
1018 1 160 ILE H 1 160 ILE HB 2.940 . 3.800 2.634 2.479 2.718 . 0 0 "[ . 1 . 2]" 1
1019 1 160 ILE H 1 160 ILE MG 2.530 . 3.800 1.830 1.787 1.921 0.113 15 0 "[ . 1 . 2]" 1
1020 1 160 ILE H 1 160 ILE HG13 3.060 . 5.000 4.429 4.376 4.541 . 0 0 "[ . 1 . 2]" 1
1021 1 160 ILE MD 1 163 LEU H 2.850 . 5.000 3.182 3.009 3.418 . 0 0 "[ . 1 . 2]" 1
1022 1 161 GLN HA 1 163 LEU H 3.180 . 3.800 3.862 3.824 3.902 0.102 6 0 "[ . 1 . 2]" 1
1023 1 161 GLN HA 1 164 TYR H 3.230 . 3.800 3.759 3.633 3.844 0.044 4 0 "[ . 1 . 2]" 1
1024 1 161 GLN HA 1 165 GLY H 2.830 . 5.000 4.421 3.405 4.846 . 0 0 "[ . 1 . 2]" 1
1025 1 161 GLN H 1 162 SER H 2.990 . 3.800 2.618 2.546 2.666 . 0 0 "[ . 1 . 2]" 1
1026 1 161 GLN HA 1 162 SER H 2.580 . 5.000 3.471 3.449 3.498 . 0 0 "[ . 1 . 2]" 1
1027 1 161 GLN H 1 161 GLN HA 2.940 . 3.800 2.831 2.819 2.845 . 0 0 "[ . 1 . 2]" 1
1028 1 162 SER H 1 163 LEU H 3.020 . 3.800 2.287 2.211 2.354 . 0 0 "[ . 1 . 2]" 1
1029 1 162 SER H 1 162 SER HB3 2.550 . 2.800 2.467 2.108 2.752 . 0 0 "[ . 1 . 2]" 1
1030 1 163 LEU MD1 1 164 TYR H 2.940 . 4.800 3.958 3.882 4.070 . 0 0 "[ . 1 . 2]" 1
1031 1 163 LEU H 1 164 TYR H 3.110 . 3.800 2.668 2.451 2.794 . 0 0 "[ . 1 . 2]" 1
1032 1 163 LEU QB 1 164 TYR H 3.150 . 3.800 2.097 1.847 2.227 0.053 14 0 "[ . 1 . 2]" 1
1033 1 163 LEU HG 1 164 TYR H 3.090 . 3.800 4.708 3.955 4.881 1.081 5 19 "[*-**+******** ******]" 1
1034 1 163 LEU MD2 1 164 TYR H 3.370 . 4.800 3.549 2.393 4.172 . 0 0 "[ . 1 . 2]" 1
1035 1 163 LEU H 1 163 LEU HA 2.990 . 3.800 2.892 2.868 2.925 . 0 0 "[ . 1 . 2]" 1
1036 1 163 LEU H 1 163 LEU QB 3.070 . 3.800 2.121 2.023 2.380 . 0 0 "[ . 1 . 2]" 1
1037 1 163 LEU HA 1 164 TYR H 3.350 . 3.800 3.563 3.495 3.591 . 0 0 "[ . 1 . 2]" 1
1038 1 163 LEU H 1 163 LEU MD2 2.920 . 4.800 3.968 2.975 4.076 . 0 0 "[ . 1 . 2]" 1
1039 1 163 LEU H 1 163 LEU MD1 2.850 . 5.000 4.190 3.959 4.247 . 0 0 "[ . 1 . 2]" 1
1040 1 164 TYR H 1 165 GLY H 3.220 . 3.800 3.630 2.840 3.873 0.073 3 0 "[ . 1 . 2]" 1
1041 1 164 TYR H 1 164 TYR HB3 3.570 . 3.800 3.603 2.849 3.722 . 0 0 "[ . 1 . 2]" 1
1042 1 164 TYR H 1 164 TYR HB2 3.310 . 3.800 2.416 2.215 2.610 . 0 0 "[ . 1 . 2]" 1
1043 1 165 GLY H 1 165 GLY HA2 2.890 . 3.800 2.492 2.341 2.988 . 0 0 "[ . 1 . 2]" 1
1044 1 165 GLY H 1 165 GLY HA3 2.820 . 3.800 2.806 2.374 2.992 . 0 0 "[ . 1 . 2]" 1
1045 1 168 PRO HA 1 169 ASP H 2.620 . 2.800 3.332 2.430 3.594 0.794 20 15 "[****** *** **-**+]" 1
1046 1 168 PRO HB3 1 169 ASP H 3.360 . 3.800 3.584 3.170 3.911 0.111 10 0 "[ . 1 . 2]" 1
1047 1 169 ASP HB3 1 170 SER H 3.660 . 3.800 3.063 1.905 3.853 0.053 17 0 "[ . 1 . 2]" 1
1048 1 170 SER HA 1 172 GLU H 3.350 . 3.800 3.626 3.030 3.809 0.009 18 0 "[ . 1 . 2]" 1
1049 1 171 PRO HA 1 172 GLU H 2.790 . 2.800 3.496 3.393 3.586 0.786 4 20 [***+*************-**] 1
1050 1 171 PRO HB2 1 172 GLU H 3.330 . 3.800 3.448 2.954 3.806 0.006 18 0 "[ . 1 . 2]" 1
1051 1 172 GLU H 1 172 GLU HB2 3.330 . 3.800 3.044 2.071 3.806 0.006 6 0 "[ . 1 . 2]" 1
1052 1 83 ALA H 1 83 ALA O 2.500 2.300 2.700 2.513 2.376 2.683 . 0 0 "[ . 1 . 2]" 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 208
_Distance_constraint_stats_list.Viol_count 1757
_Distance_constraint_stats_list.Viol_total 2352.011
_Distance_constraint_stats_list.Viol_max 0.362
_Distance_constraint_stats_list.Viol_rms 0.0492
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0283
_Distance_constraint_stats_list.Viol_average_violations_only 0.0669
_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 13 THR 0.530 0.061 19 0 "[ . 1 . 2]"
1 15 LEU 3.147 0.139 17 0 "[ . 1 . 2]"
1 16 THR 0.459 0.112 13 0 "[ . 1 . 2]"
1 17 TYR 0.466 0.057 12 0 "[ . 1 . 2]"
1 18 ARG 2.385 0.123 15 0 "[ . 1 . 2]"
1 20 VAL 3.943 0.181 3 0 "[ . 1 . 2]"
1 27 PRO 1.888 0.120 6 0 "[ . 1 . 2]"
1 28 LYS 0.314 0.072 20 0 "[ . 1 . 2]"
1 30 ALA 4.661 0.202 1 0 "[ . 1 . 2]"
1 31 VAL 4.770 0.133 9 0 "[ . 1 . 2]"
1 32 ASP 2.355 0.131 13 0 "[ . 1 . 2]"
1 33 SER 6.008 0.233 1 0 "[ . 1 . 2]"
1 34 ALA 10.775 0.202 1 0 "[ . 1 . 2]"
1 35 VAL 3.507 0.133 9 0 "[ . 1 . 2]"
1 36 GLU 2.680 0.131 13 0 "[ . 1 . 2]"
1 37 LYS 12.291 0.233 1 0 "[ . 1 . 2]"
1 38 ALA 10.578 0.176 10 0 "[ . 1 . 2]"
1 39 LEU 2.159 0.162 4 0 "[ . 1 . 2]"
1 40 LYS 1.508 0.087 19 0 "[ . 1 . 2]"
1 41 VAL 7.901 0.223 6 0 "[ . 1 . 2]"
1 42 TRP 7.562 0.190 19 0 "[ . 1 . 2]"
1 43 GLU 1.534 0.162 4 0 "[ . 1 . 2]"
1 44 GLU 0.869 0.087 19 0 "[ . 1 . 2]"
1 45 VAL 1.618 0.104 5 0 "[ . 1 . 2]"
1 46 THR 3.099 0.190 19 0 "[ . 1 . 2]"
1 49 THR 2.282 0.139 17 0 "[ . 1 . 2]"
1 51 SER 1.859 0.124 12 0 "[ . 1 . 2]"
1 60 ILE 1.190 0.112 13 0 "[ . 1 . 2]"
1 61 MET 5.820 0.183 1 0 "[ . 1 . 2]"
1 62 ILE 1.653 0.123 15 0 "[ . 1 . 2]"
1 63 SER 2.644 0.114 7 0 "[ . 1 . 2]"
1 64 PHE 3.943 0.181 3 0 "[ . 1 . 2]"
1 65 ALA 2.517 0.165 3 0 "[ . 1 . 2]"
1 82 LEU 2.370 0.180 1 0 "[ . 1 . 2]"
1 84 HIS 4.809 0.131 1 0 "[ . 1 . 2]"
1 86 TYR 2.534 0.102 13 0 "[ . 1 . 2]"
1 94 GLY 0.778 0.079 9 0 "[ . 1 . 2]"
1 95 ASP 2.534 0.102 13 0 "[ . 1 . 2]"
1 96 ALA 7.239 0.183 1 0 "[ . 1 . 2]"
1 97 HIS 4.809 0.131 1 0 "[ . 1 . 2]"
1 98 PHE 1.490 0.080 3 0 "[ . 1 . 2]"
1 99 ASP 2.370 0.180 1 0 "[ . 1 . 2]"
1 100 ASP 1.476 0.165 3 0 "[ . 1 . 2]"
1 112 ASN 0.276 0.072 10 0 "[ . 1 . 2]"
1 113 LEU 4.351 0.162 6 0 "[ . 1 . 2]"
1 114 PHE 0.162 0.056 10 0 "[ . 1 . 2]"
1 115 LEU 1.124 0.083 3 0 "[ . 1 . 2]"
1 116 VAL 0.318 0.072 10 0 "[ . 1 . 2]"
1 117 ALA 6.360 0.162 6 0 "[ . 1 . 2]"
1 118 ALA 7.238 0.252 1 0 "[ . 1 . 2]"
1 119 HIS 2.943 0.119 16 0 "[ . 1 . 2]"
1 120 GLU 2.101 0.121 4 0 "[ . 1 . 2]"
1 121 ILE 4.598 0.116 10 0 "[ . 1 . 2]"
1 122 GLY 16.423 0.362 13 0 "[ . 1 . 2]"
1 123 HIS 1.820 0.119 16 0 "[ . 1 . 2]"
1 124 SER 2.059 0.121 4 0 "[ . 1 . 2]"
1 125 LEU 2.589 0.116 10 0 "[ . 1 . 2]"
1 126 GLY 9.348 0.362 13 0 "[ . 1 . 2]"
1 153 SER 1.738 0.120 12 0 "[ . 1 . 2]"
1 154 GLN 1.364 0.127 5 0 "[ . 1 . 2]"
1 155 ASP 0.104 0.042 5 0 "[ . 1 . 2]"
1 156 ASP 0.095 0.035 9 0 "[ . 1 . 2]"
1 157 ILE 2.376 0.120 12 0 "[ . 1 . 2]"
1 158 ASN 1.680 0.127 5 0 "[ . 1 . 2]"
1 159 GLY 3.514 0.160 19 0 "[ . 1 . 2]"
1 160 ILE 4.513 0.218 13 0 "[ . 1 . 2]"
1 161 GLN 0.638 0.079 5 0 "[ . 1 . 2]"
1 162 SER 0.316 0.060 14 0 "[ . 1 . 2]"
1 163 LEU 3.410 0.160 19 0 "[ . 1 . 2]"
1 164 TYR 4.418 0.218 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 PRO O 1 31 VAL H 2.000 . 2.200 2.119 2.071 2.182 . 0 0 "[ . 1 . 2]" 2
2 1 27 PRO O 1 31 VAL N 3.000 2.800 3.200 3.014 2.983 3.050 . 0 0 "[ . 1 . 2]" 2
3 1 27 PRO C 1 31 VAL H 3.000 2.800 3.200 3.281 3.245 3.320 0.120 6 0 "[ . 1 . 2]" 2
4 1 27 PRO C 1 31 VAL N 4.000 3.800 4.200 4.211 4.185 4.234 0.034 18 0 "[ . 1 . 2]" 2
5 1 28 LYS O 1 32 ASP H 2.000 . 2.200 1.916 1.813 2.043 . 0 0 "[ . 1 . 2]" 2
6 1 28 LYS O 1 32 ASP N 3.000 2.800 3.200 2.840 2.728 2.998 0.072 20 0 "[ . 1 . 2]" 2
7 1 28 LYS C 1 32 ASP H 3.000 2.800 3.200 3.089 2.990 3.231 0.031 6 0 "[ . 1 . 2]" 2
8 1 28 LYS C 1 32 ASP N 4.000 3.800 4.200 4.034 3.926 4.194 . 0 0 "[ . 1 . 2]" 2
9 1 30 ALA O 1 34 ALA H 2.000 . 2.200 2.206 2.148 2.247 0.047 7 0 "[ . 1 . 2]" 2
10 1 30 ALA O 1 34 ALA N 3.000 2.800 3.200 3.052 3.012 3.086 . 0 0 "[ . 1 . 2]" 2
11 1 30 ALA C 1 34 ALA H 3.000 2.800 3.200 3.373 3.321 3.402 0.202 1 0 "[ . 1 . 2]" 2
12 1 30 ALA C 1 34 ALA N 4.000 3.800 4.200 4.247 4.211 4.276 0.076 7 0 "[ . 1 . 2]" 2
13 1 31 VAL O 1 35 VAL H 2.000 . 2.200 2.201 2.127 2.243 0.043 9 0 "[ . 1 . 2]" 2
14 1 31 VAL O 1 35 VAL N 3.000 2.800 3.200 3.093 3.026 3.128 . 0 0 "[ . 1 . 2]" 2
15 1 31 VAL C 1 35 VAL H 3.000 2.800 3.200 3.296 3.243 3.333 0.133 9 0 "[ . 1 . 2]" 2
16 1 31 VAL C 1 35 VAL N 4.000 3.800 4.200 4.233 4.180 4.267 0.067 9 0 "[ . 1 . 2]" 2
17 1 32 ASP O 1 36 GLU H 2.000 . 2.200 2.012 1.953 2.135 . 0 0 "[ . 1 . 2]" 2
18 1 32 ASP O 1 36 GLU N 3.000 2.800 3.200 2.702 2.669 2.763 0.131 13 0 "[ . 1 . 2]" 2
19 1 32 ASP C 1 36 GLU H 3.000 2.800 3.200 2.997 2.944 3.063 . 0 0 "[ . 1 . 2]" 2
20 1 32 ASP C 1 36 GLU N 4.000 3.800 4.200 3.806 3.774 3.842 0.026 5 0 "[ . 1 . 2]" 2
21 1 33 SER O 1 37 LYS H 2.000 . 2.200 1.751 1.666 1.821 0.134 1 0 "[ . 1 . 2]" 2
22 1 33 SER O 1 37 LYS N 3.000 2.800 3.200 2.617 2.567 2.674 0.233 1 0 "[ . 1 . 2]" 2
23 1 33 SER C 1 37 LYS H 3.000 2.800 3.200 2.811 2.774 2.846 0.026 3 0 "[ . 1 . 2]" 2
24 1 33 SER C 1 37 LYS N 4.000 3.800 4.200 3.737 3.704 3.770 0.096 16 0 "[ . 1 . 2]" 2
25 1 34 ALA O 1 38 ALA H 2.000 . 2.200 1.787 1.754 1.826 0.046 10 0 "[ . 1 . 2]" 2
26 1 34 ALA O 1 38 ALA N 3.000 2.800 3.200 2.676 2.654 2.697 0.146 2 0 "[ . 1 . 2]" 2
27 1 34 ALA C 1 38 ALA H 3.000 2.800 3.200 2.733 2.724 2.752 0.076 3 0 "[ . 1 . 2]" 2
28 1 34 ALA C 1 38 ALA N 4.000 3.800 4.200 3.702 3.690 3.725 0.110 3 0 "[ . 1 . 2]" 2
29 1 35 VAL O 1 39 LEU H 2.000 . 2.200 2.180 2.074 2.308 0.108 20 0 "[ . 1 . 2]" 2
30 1 35 VAL O 1 39 LEU N 3.000 2.800 3.200 3.017 2.910 3.124 . 0 0 "[ . 1 . 2]" 2
31 1 35 VAL C 1 39 LEU H 3.000 2.800 3.200 2.853 2.802 2.900 . 0 0 "[ . 1 . 2]" 2
32 1 35 VAL C 1 39 LEU N 4.000 3.800 4.200 3.800 3.753 3.850 0.047 11 0 "[ . 1 . 2]" 2
33 1 36 GLU O 1 40 LYS H 2.000 . 2.200 2.061 1.916 2.200 0.000 10 0 "[ . 1 . 2]" 2
34 1 36 GLU O 1 40 LYS N 3.000 2.800 3.200 2.894 2.805 3.046 . 0 0 "[ . 1 . 2]" 2
35 1 36 GLU C 1 40 LYS H 3.000 2.800 3.200 2.840 2.789 3.027 0.011 4 0 "[ . 1 . 2]" 2
36 1 36 GLU C 1 40 LYS N 4.000 3.800 4.200 3.790 3.718 3.972 0.082 13 0 "[ . 1 . 2]" 2
37 1 37 LYS O 1 41 VAL H 2.000 . 2.200 1.845 1.764 1.961 0.036 10 0 "[ . 1 . 2]" 2
38 1 37 LYS O 1 41 VAL N 3.000 2.800 3.200 2.643 2.577 2.729 0.223 6 0 "[ . 1 . 2]" 2
39 1 37 LYS C 1 41 VAL H 3.000 2.800 3.200 2.771 2.748 2.791 0.052 3 0 "[ . 1 . 2]" 2
40 1 37 LYS C 1 41 VAL N 4.000 3.800 4.200 3.677 3.656 3.703 0.144 7 0 "[ . 1 . 2]" 2
41 1 38 ALA O 1 42 TRP H 2.000 . 2.200 2.182 2.141 2.217 0.017 9 0 "[ . 1 . 2]" 2
42 1 38 ALA O 1 42 TRP N 3.000 2.800 3.200 3.091 3.057 3.115 . 0 0 "[ . 1 . 2]" 2
43 1 38 ALA C 1 42 TRP H 3.000 2.800 3.200 3.345 3.313 3.376 0.176 10 0 "[ . 1 . 2]" 2
44 1 38 ALA C 1 42 TRP N 4.000 3.800 4.200 4.276 4.227 4.315 0.115 10 0 "[ . 1 . 2]" 2
45 1 39 LEU O 1 43 GLU H 2.000 . 2.200 1.932 1.795 2.024 0.005 13 0 "[ . 1 . 2]" 2
46 1 39 LEU O 1 43 GLU N 3.000 2.800 3.200 2.724 2.638 2.783 0.162 4 0 "[ . 1 . 2]" 2
47 1 39 LEU C 1 43 GLU H 3.000 2.800 3.200 2.954 2.898 3.000 . 0 0 "[ . 1 . 2]" 2
48 1 39 LEU C 1 43 GLU N 4.000 3.800 4.200 3.841 3.793 3.896 0.007 4 0 "[ . 1 . 2]" 2
49 1 40 LYS O 1 44 GLU H 2.000 . 2.200 1.882 1.845 1.935 . 0 0 "[ . 1 . 2]" 2
50 1 40 LYS O 1 44 GLU N 3.000 2.800 3.200 2.758 2.713 2.817 0.087 19 0 "[ . 1 . 2]" 2
51 1 40 LYS C 1 44 GLU H 3.000 2.800 3.200 2.963 2.910 3.025 . 0 0 "[ . 1 . 2]" 2
52 1 40 LYS C 1 44 GLU N 4.000 3.800 4.200 3.852 3.790 3.923 0.010 19 0 "[ . 1 . 2]" 2
53 1 41 VAL O 1 45 VAL H 2.000 . 2.200 2.274 2.230 2.304 0.104 5 0 "[ . 1 . 2]" 2
54 1 41 VAL O 1 45 VAL N 3.000 2.800 3.200 3.195 3.138 3.236 0.036 19 0 "[ . 1 . 2]" 2
55 1 41 VAL C 1 45 VAL H 3.000 2.800 3.200 3.162 3.099 3.210 0.010 19 0 "[ . 1 . 2]" 2
56 1 41 VAL C 1 45 VAL N 4.000 3.800 4.200 4.146 4.080 4.198 . 0 0 "[ . 1 . 2]" 2
57 1 42 TRP O 1 46 THR H 2.000 . 2.200 2.316 2.279 2.390 0.190 19 0 "[ . 1 . 2]" 2
58 1 42 TRP O 1 46 THR N 3.000 2.800 3.200 3.147 3.106 3.193 . 0 0 "[ . 1 . 2]" 2
59 1 42 TRP C 1 46 THR H 3.000 2.800 3.200 3.238 3.175 3.272 0.072 14 0 "[ . 1 . 2]" 2
60 1 42 TRP C 1 46 THR N 4.000 3.800 4.200 4.130 4.029 4.177 . 0 0 "[ . 1 . 2]" 2
61 1 112 ASN O 1 116 VAL H 2.000 . 2.200 1.995 1.846 2.103 . 0 0 "[ . 1 . 2]" 2
62 1 112 ASN O 1 116 VAL N 3.000 2.800 3.200 2.920 2.777 3.032 0.023 16 0 "[ . 1 . 2]" 2
63 1 112 ASN C 1 116 VAL H 3.000 2.800 3.200 3.115 2.867 3.272 0.072 10 0 "[ . 1 . 2]" 2
64 1 112 ASN C 1 116 VAL N 4.000 3.800 4.200 4.068 3.839 4.226 0.026 10 0 "[ . 1 . 2]" 2
65 1 113 LEU O 1 117 ALA H 2.000 . 2.200 2.311 2.239 2.362 0.162 6 0 "[ . 1 . 2]" 2
66 1 113 LEU O 1 117 ALA N 3.000 2.800 3.200 2.980 2.893 3.085 . 0 0 "[ . 1 . 2]" 2
67 1 113 LEU C 1 117 ALA H 3.000 2.800 3.200 3.307 3.274 3.342 0.142 10 0 "[ . 1 . 2]" 2
68 1 113 LEU C 1 117 ALA N 4.000 3.800 4.200 4.082 4.013 4.178 . 0 0 "[ . 1 . 2]" 2
69 1 114 PHE O 1 118 ALA H 2.000 . 2.200 1.919 1.790 2.046 0.010 10 0 "[ . 1 . 2]" 2
70 1 114 PHE O 1 118 ALA N 3.000 2.800 3.200 2.882 2.744 3.012 0.056 10 0 "[ . 1 . 2]" 2
71 1 114 PHE C 1 118 ALA H 3.000 2.800 3.200 2.942 2.854 3.012 . 0 0 "[ . 1 . 2]" 2
72 1 114 PHE C 1 118 ALA N 4.000 3.800 4.200 3.875 3.788 3.947 0.012 5 0 "[ . 1 . 2]" 2
73 1 115 LEU O 1 119 HIS H 2.000 . 2.200 2.245 2.204 2.283 0.083 3 0 "[ . 1 . 2]" 2
74 1 115 LEU O 1 119 HIS N 3.000 2.800 3.200 2.959 2.891 3.029 . 0 0 "[ . 1 . 2]" 2
75 1 115 LEU C 1 119 HIS H 3.000 2.800 3.200 3.207 3.140 3.246 0.046 5 0 "[ . 1 . 2]" 2
76 1 115 LEU C 1 119 HIS N 4.000 3.800 4.200 4.047 3.966 4.101 . 0 0 "[ . 1 . 2]" 2
77 1 116 VAL O 1 120 GLU H 2.000 . 2.200 2.094 1.936 2.232 0.032 6 0 "[ . 1 . 2]" 2
78 1 116 VAL O 1 120 GLU N 3.000 2.800 3.200 2.970 2.856 3.097 . 0 0 "[ . 1 . 2]" 2
79 1 116 VAL C 1 120 GLU H 3.000 2.800 3.200 3.039 2.966 3.097 . 0 0 "[ . 1 . 2]" 2
80 1 116 VAL C 1 120 GLU N 4.000 3.800 4.200 3.934 3.852 4.012 . 0 0 "[ . 1 . 2]" 2
81 1 117 ALA O 1 121 ILE H 2.000 . 2.200 1.771 1.731 1.799 0.069 6 0 "[ . 1 . 2]" 2
82 1 117 ALA O 1 121 ILE N 3.000 2.800 3.200 2.728 2.685 2.764 0.115 6 0 "[ . 1 . 2]" 2
83 1 117 ALA C 1 121 ILE H 3.000 2.800 3.200 2.979 2.935 3.004 . 0 0 "[ . 1 . 2]" 2
84 1 117 ALA C 1 121 ILE N 4.000 3.800 4.200 3.932 3.885 3.966 . 0 0 "[ . 1 . 2]" 2
85 1 118 ALA O 1 122 GLY H 2.000 . 2.200 2.066 2.000 2.128 . 0 0 "[ . 1 . 2]" 2
86 1 118 ALA O 1 122 GLY N 3.000 2.800 3.200 2.752 2.726 2.791 0.074 10 0 "[ . 1 . 2]" 2
87 1 118 ALA C 1 122 GLY H 3.000 2.800 3.200 2.715 2.695 2.736 0.105 2 0 "[ . 1 . 2]" 2
88 1 118 ALA C 1 122 GLY N 4.000 3.800 4.200 3.580 3.548 3.619 0.252 1 0 "[ . 1 . 2]" 2
89 1 119 HIS O 1 123 HIS H 2.000 . 2.200 2.143 2.051 2.214 0.014 7 0 "[ . 1 . 2]" 2
90 1 119 HIS O 1 123 HIS N 3.000 2.800 3.200 2.811 2.762 2.893 0.038 16 0 "[ . 1 . 2]" 2
91 1 119 HIS C 1 123 HIS H 3.000 2.800 3.200 2.875 2.805 2.936 . 0 0 "[ . 1 . 2]" 2
92 1 119 HIS C 1 123 HIS N 4.000 3.800 4.200 3.718 3.681 3.767 0.119 16 0 "[ . 1 . 2]" 2
93 1 120 GLU O 1 124 SER H 2.000 . 2.200 2.091 2.030 2.138 . 0 0 "[ . 1 . 2]" 2
94 1 120 GLU O 1 124 SER N 3.000 2.800 3.200 3.039 2.986 3.093 . 0 0 "[ . 1 . 2]" 2
95 1 120 GLU C 1 124 SER H 3.000 2.800 3.200 3.282 3.224 3.321 0.121 4 0 "[ . 1 . 2]" 2
96 1 120 GLU C 1 124 SER N 4.000 3.800 4.200 4.217 4.167 4.245 0.045 17 0 "[ . 1 . 2]" 2
97 1 121 ILE O 1 125 LEU H 2.000 . 2.200 2.253 2.213 2.297 0.097 13 0 "[ . 1 . 2]" 2
98 1 121 ILE O 1 125 LEU N 3.000 2.800 3.200 3.063 2.963 3.135 . 0 0 "[ . 1 . 2]" 2
99 1 121 ILE C 1 125 LEU H 3.000 2.800 3.200 3.277 3.222 3.316 0.116 10 0 "[ . 1 . 2]" 2
100 1 121 ILE C 1 125 LEU N 4.000 3.800 4.200 4.143 4.035 4.201 0.001 13 0 "[ . 1 . 2]" 2
101 1 122 GLY O 1 126 GLY H 2.000 . 2.200 2.294 2.242 2.341 0.141 6 0 "[ . 1 . 2]" 2
102 1 122 GLY O 1 126 GLY N 3.000 2.800 3.200 2.757 2.685 2.843 0.115 17 0 "[ . 1 . 2]" 2
103 1 122 GLY C 1 126 GLY H 3.000 2.800 3.200 3.074 2.753 3.219 0.047 15 0 "[ . 1 . 2]" 2
104 1 122 GLY C 1 126 GLY N 4.000 3.800 4.200 3.480 3.438 3.507 0.362 13 0 "[ . 1 . 2]" 2
105 1 153 SER O 1 157 ILE H 2.000 . 2.200 2.262 1.900 2.320 0.120 12 0 "[ . 1 . 2]" 2
106 1 153 SER O 1 157 ILE N 3.000 2.800 3.200 3.142 2.814 3.200 0.000 7 0 "[ . 1 . 2]" 2
107 1 153 SER C 1 157 ILE H 3.000 2.800 3.200 3.171 2.961 3.227 0.027 7 0 "[ . 1 . 2]" 2
108 1 153 SER C 1 157 ILE N 4.000 3.800 4.200 4.128 3.926 4.190 . 0 0 "[ . 1 . 2]" 2
109 1 154 GLN O 1 158 ASN H 2.000 . 2.200 2.266 2.232 2.327 0.127 5 0 "[ . 1 . 2]" 2
110 1 154 GLN O 1 158 ASN N 3.000 2.800 3.200 2.988 2.941 3.072 . 0 0 "[ . 1 . 2]" 2
111 1 154 GLN C 1 158 ASN H 3.000 2.800 3.200 2.956 2.929 3.001 . 0 0 "[ . 1 . 2]" 2
112 1 154 GLN C 1 158 ASN N 4.000 3.800 4.200 3.831 3.785 3.907 0.015 10 0 "[ . 1 . 2]" 2
113 1 155 ASP O 1 159 GLY H 2.000 . 2.200 1.913 1.824 2.041 . 0 0 "[ . 1 . 2]" 2
114 1 155 ASP O 1 159 GLY N 3.000 2.800 3.200 2.848 2.758 2.985 0.042 5 0 "[ . 1 . 2]" 2
115 1 155 ASP C 1 159 GLY H 3.000 2.800 3.200 3.059 2.983 3.171 . 0 0 "[ . 1 . 2]" 2
116 1 155 ASP C 1 159 GLY N 4.000 3.800 4.200 4.010 3.931 4.125 . 0 0 "[ . 1 . 2]" 2
117 1 156 ASP O 1 160 ILE H 2.000 . 2.200 1.924 1.812 2.040 . 0 0 "[ . 1 . 2]" 2
118 1 156 ASP O 1 160 ILE N 3.000 2.800 3.200 2.889 2.794 3.013 0.006 19 0 "[ . 1 . 2]" 2
119 1 156 ASP C 1 160 ILE H 3.000 2.800 3.200 3.130 3.020 3.235 0.035 9 0 "[ . 1 . 2]" 2
120 1 156 ASP C 1 160 ILE N 4.000 3.800 4.200 4.092 4.000 4.191 . 0 0 "[ . 1 . 2]" 2
121 1 157 ILE O 1 161 GLN H 2.000 . 2.200 1.890 1.808 1.960 . 0 0 "[ . 1 . 2]" 2
122 1 157 ILE O 1 161 GLN N 3.000 2.800 3.200 2.772 2.721 2.845 0.079 5 0 "[ . 1 . 2]" 2
123 1 157 ILE C 1 161 GLN H 3.000 2.800 3.200 2.908 2.862 2.963 . 0 0 "[ . 1 . 2]" 2
124 1 157 ILE C 1 161 GLN N 4.000 3.800 4.200 3.857 3.797 3.920 0.003 19 0 "[ . 1 . 2]" 2
125 1 158 ASN O 1 162 SER H 2.000 . 2.200 2.135 2.005 2.241 0.041 10 0 "[ . 1 . 2]" 2
126 1 158 ASN O 1 162 SER N 3.000 2.800 3.200 2.851 2.740 2.936 0.060 14 0 "[ . 1 . 2]" 2
127 1 158 ASN C 1 162 SER H 3.000 2.800 3.200 3.127 3.053 3.220 0.020 6 0 "[ . 1 . 2]" 2
128 1 158 ASN C 1 162 SER N 4.000 3.800 4.200 3.949 3.849 4.076 . 0 0 "[ . 1 . 2]" 2
129 1 159 GLY O 1 163 LEU H 2.000 . 2.200 2.310 2.272 2.360 0.160 19 0 "[ . 1 . 2]" 2
130 1 159 GLY O 1 163 LEU N 3.000 2.800 3.200 2.859 2.765 2.953 0.035 16 0 "[ . 1 . 2]" 2
131 1 159 GLY C 1 163 LEU H 3.000 2.800 3.200 3.255 3.202 3.291 0.091 14 0 "[ . 1 . 2]" 2
132 1 159 GLY C 1 163 LEU N 4.000 3.800 4.200 3.961 3.823 4.050 . 0 0 "[ . 1 . 2]" 2
133 1 160 ILE O 1 164 TYR H 2.000 . 2.200 2.159 2.068 2.218 0.018 13 0 "[ . 1 . 2]" 2
134 1 160 ILE O 1 164 TYR N 3.000 2.800 3.200 3.049 2.999 3.114 . 0 0 "[ . 1 . 2]" 2
135 1 160 ILE C 1 164 TYR H 3.000 2.800 3.200 3.359 3.277 3.418 0.218 13 0 "[ . 1 . 2]" 2
136 1 160 ILE C 1 164 TYR N 4.000 3.800 4.200 4.261 4.210 4.326 0.126 13 0 "[ . 1 . 2]" 2
137 1 13 THR O 1 49 THR H 2.000 . 2.200 2.196 2.031 2.261 0.061 19 0 "[ . 1 . 2]" 2
138 1 13 THR O 1 49 THR N 3.000 2.800 3.200 3.111 2.965 3.186 . 0 0 "[ . 1 . 2]" 2
139 1 13 THR C 1 49 THR H 3.000 2.800 3.200 3.174 3.026 3.232 0.032 12 0 "[ . 1 . 2]" 2
140 1 13 THR C 1 49 THR N 4.000 3.800 4.200 4.136 4.001 4.206 0.006 8 0 "[ . 1 . 2]" 2
141 1 15 LEU H 1 49 THR O 2.000 . 2.200 2.218 2.146 2.268 0.068 4 0 "[ . 1 . 2]" 2
142 1 15 LEU N 1 49 THR O 3.000 2.800 3.200 3.135 2.971 3.211 0.011 13 0 "[ . 1 . 2]" 2
143 1 15 LEU H 1 49 THR C 3.000 2.800 3.200 3.259 3.140 3.339 0.139 17 0 "[ . 1 . 2]" 2
144 1 15 LEU N 1 49 THR C 4.000 3.800 4.200 4.097 3.942 4.231 0.031 13 0 "[ . 1 . 2]" 2
145 1 15 LEU O 1 51 SER H 2.000 . 2.200 2.125 1.850 2.229 0.029 19 0 "[ . 1 . 2]" 2
146 1 15 LEU O 1 51 SER N 3.000 2.800 3.200 2.764 2.676 2.933 0.124 12 0 "[ . 1 . 2]" 2
147 1 15 LEU C 1 51 SER H 3.000 2.800 3.200 3.024 2.829 3.158 . 0 0 "[ . 1 . 2]" 2
148 1 15 LEU C 1 51 SER N 4.000 3.800 4.200 3.815 3.733 3.961 0.067 16 0 "[ . 1 . 2]" 2
149 1 17 TYR H 1 51 SER O 2.000 . 2.200 2.152 1.883 2.257 0.057 12 0 "[ . 1 . 2]" 2
150 1 17 TYR N 1 51 SER O 3.000 2.800 3.200 3.037 2.760 3.154 0.040 20 0 "[ . 1 . 2]" 2
151 1 17 TYR H 1 51 SER C 3.000 2.800 3.200 3.080 2.847 3.215 0.015 13 0 "[ . 1 . 2]" 2
152 1 17 TYR N 1 51 SER C 4.000 3.800 4.200 3.985 3.774 4.127 0.026 3 0 "[ . 1 . 2]" 2
153 1 16 THR O 1 60 ILE H 2.000 . 2.200 2.182 2.067 2.312 0.112 13 0 "[ . 1 . 2]" 2
154 1 16 THR O 1 60 ILE N 3.000 2.800 3.200 3.001 2.913 3.181 . 0 0 "[ . 1 . 2]" 2
155 1 16 THR C 1 60 ILE H 3.000 2.800 3.200 3.178 3.093 3.239 0.039 13 0 "[ . 1 . 2]" 2
156 1 16 THR C 1 60 ILE N 4.000 3.800 4.200 4.084 3.996 4.193 . 0 0 "[ . 1 . 2]" 2
157 1 18 ARG H 1 60 ILE O 2.000 . 2.200 2.211 1.991 2.259 0.059 20 0 "[ . 1 . 2]" 2
158 1 18 ARG N 1 60 ILE O 3.000 2.800 3.200 3.177 2.955 3.227 0.027 19 0 "[ . 1 . 2]" 2
159 1 18 ARG H 1 60 ILE C 3.000 2.800 3.200 3.027 2.917 3.115 . 0 0 "[ . 1 . 2]" 2
160 1 18 ARG N 1 60 ILE C 4.000 3.800 4.200 3.943 3.845 4.024 . 0 0 "[ . 1 . 2]" 2
161 1 18 ARG O 1 62 ILE H 2.000 . 2.200 1.935 1.879 1.980 . 0 0 "[ . 1 . 2]" 2
162 1 18 ARG O 1 62 ILE N 3.000 2.800 3.200 2.722 2.677 2.770 0.123 15 0 "[ . 1 . 2]" 2
163 1 18 ARG C 1 62 ILE H 3.000 2.800 3.200 2.964 2.877 3.041 . 0 0 "[ . 1 . 2]" 2
164 1 18 ARG C 1 62 ILE N 4.000 3.800 4.200 3.824 3.760 3.909 0.040 13 0 "[ . 1 . 2]" 2
165 1 20 VAL O 1 64 PHE H 2.000 . 2.200 2.342 2.305 2.381 0.181 3 0 "[ . 1 . 2]" 2
166 1 20 VAL O 1 64 PHE N 3.000 2.800 3.200 3.235 3.204 3.285 0.085 10 0 "[ . 1 . 2]" 2
167 1 20 VAL C 1 64 PHE H 3.000 2.800 3.200 3.086 2.990 3.268 0.068 16 0 "[ . 1 . 2]" 2
168 1 20 VAL C 1 64 PHE N 4.000 3.800 4.200 3.803 3.748 3.930 0.052 17 0 "[ . 1 . 2]" 2
169 1 61 MET H 1 94 GLY O 2.000 . 2.200 2.200 1.995 2.279 0.079 9 0 "[ . 1 . 2]" 2
170 1 61 MET N 1 94 GLY O 3.000 2.800 3.200 3.041 2.840 3.127 . 0 0 "[ . 1 . 2]" 2
171 1 61 MET H 1 94 GLY C 3.000 2.800 3.200 3.183 3.040 3.252 0.052 2 0 "[ . 1 . 2]" 2
172 1 61 MET N 1 94 GLY C 4.000 3.800 4.200 3.909 3.779 4.019 0.021 13 0 "[ . 1 . 2]" 2
173 1 61 MET O 1 96 ALA H 2.000 . 2.200 2.284 2.249 2.345 0.145 16 0 "[ . 1 . 2]" 2
174 1 61 MET O 1 96 ALA N 3.000 2.800 3.200 2.940 2.875 2.990 . 0 0 "[ . 1 . 2]" 2
175 1 61 MET C 1 96 ALA H 3.000 2.800 3.200 2.781 2.757 2.836 0.043 11 0 "[ . 1 . 2]" 2
176 1 61 MET C 1 96 ALA N 4.000 3.800 4.200 3.655 3.617 3.732 0.183 1 0 "[ . 1 . 2]" 2
177 1 63 SER H 1 96 ALA O 2.000 . 2.200 1.810 1.759 1.912 0.041 12 0 "[ . 1 . 2]" 2
178 1 63 SER N 1 96 ALA O 3.000 2.800 3.200 2.727 2.686 2.766 0.114 7 0 "[ . 1 . 2]" 2
179 1 63 SER H 1 96 ALA C 3.000 2.800 3.200 2.851 2.789 2.976 0.011 8 0 "[ . 1 . 2]" 2
180 1 63 SER N 1 96 ALA C 4.000 3.800 4.200 3.788 3.733 3.899 0.067 13 0 "[ . 1 . 2]" 2
181 1 63 SER O 1 98 PHE H 2.000 . 2.200 2.207 2.064 2.247 0.047 2 0 "[ . 1 . 2]" 2
182 1 63 SER O 1 98 PHE N 3.000 2.800 3.200 2.995 2.936 3.048 . 0 0 "[ . 1 . 2]" 2
183 1 63 SER C 1 98 PHE H 3.000 2.800 3.200 3.162 3.005 3.234 0.034 7 0 "[ . 1 . 2]" 2
184 1 63 SER C 1 98 PHE N 4.000 3.800 4.200 4.056 3.922 4.123 . 0 0 "[ . 1 . 2]" 2
185 1 65 ALA H 1 98 PHE O 2.000 . 2.200 2.102 1.945 2.190 . 0 0 "[ . 1 . 2]" 2
186 1 65 ALA N 1 98 PHE O 3.000 2.800 3.200 3.076 2.913 3.166 . 0 0 "[ . 1 . 2]" 2
187 1 65 ALA H 1 98 PHE C 3.000 2.800 3.200 3.222 3.095 3.280 0.080 3 0 "[ . 1 . 2]" 2
188 1 65 ALA N 1 98 PHE C 4.000 3.800 4.200 4.179 4.047 4.266 0.066 3 0 "[ . 1 . 2]" 2
189 1 65 ALA O 1 100 ASP H 2.000 . 2.200 2.029 1.769 2.213 0.031 15 0 "[ . 1 . 2]" 2
190 1 65 ALA O 1 100 ASP N 3.000 2.800 3.200 2.771 2.635 3.024 0.165 3 0 "[ . 1 . 2]" 2
191 1 65 ALA C 1 100 ASP H 3.000 2.800 3.200 3.138 2.958 3.278 0.078 5 0 "[ . 1 . 2]" 2
192 1 65 ALA C 1 100 ASP N 4.000 3.800 4.200 3.905 3.740 4.129 0.060 1 0 "[ . 1 . 2]" 2
193 1 82 LEU O 1 99 ASP H 2.000 . 2.200 2.189 1.929 2.324 0.124 15 0 "[ . 1 . 2]" 2
194 1 82 LEU O 1 99 ASP N 3.000 2.800 3.200 3.025 2.773 3.186 0.027 17 0 "[ . 1 . 2]" 2
195 1 82 LEU C 1 99 ASP H 3.000 2.800 3.200 3.272 3.037 3.380 0.180 1 0 "[ . 1 . 2]" 2
196 1 82 LEU C 1 99 ASP N 4.000 3.800 4.200 4.158 3.908 4.243 0.043 15 0 "[ . 1 . 2]" 2
197 1 84 HIS O 1 97 HIS H 2.000 . 2.200 1.937 1.807 2.100 . 0 0 "[ . 1 . 2]" 2
198 1 84 HIS O 1 97 HIS N 3.000 2.800 3.200 2.756 2.725 2.788 0.075 7 0 "[ . 1 . 2]" 2
199 1 84 HIS C 1 97 HIS H 3.000 2.800 3.200 3.051 2.923 3.180 . 0 0 "[ . 1 . 2]" 2
200 1 84 HIS C 1 97 HIS N 4.000 3.800 4.200 3.915 3.865 3.957 . 0 0 "[ . 1 . 2]" 2
201 1 84 HIS H 1 97 HIS O 2.000 . 2.200 2.245 2.181 2.293 0.093 7 0 "[ . 1 . 2]" 2
202 1 84 HIS N 1 97 HIS O 3.000 2.800 3.200 3.146 3.108 3.199 . 0 0 "[ . 1 . 2]" 2
203 1 84 HIS H 1 97 HIS C 3.000 2.800 3.200 3.298 3.253 3.331 0.131 1 0 "[ . 1 . 2]" 2
204 1 84 HIS N 1 97 HIS C 4.000 3.800 4.200 4.252 4.211 4.308 0.108 1 0 "[ . 1 . 2]" 2
205 1 86 TYR H 1 95 ASP O 2.000 . 2.200 2.218 2.121 2.270 0.070 2 0 "[ . 1 . 2]" 2
206 1 86 TYR N 1 95 ASP O 3.000 2.800 3.200 2.785 2.717 2.881 0.083 4 0 "[ . 1 . 2]" 2
207 1 86 TYR H 1 95 ASP C 3.000 2.800 3.200 2.951 2.885 3.014 . 0 0 "[ . 1 . 2]" 2
208 1 86 TYR N 1 95 ASP C 4.000 3.800 4.200 3.732 3.698 3.758 0.102 13 0 "[ . 1 . 2]" 2
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